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# Recent Articles in Phys. Rev. B

## Recent articles in Physical Review B

Published: 2017-09-22T15:35:57+00:00

Structural properties of Ge-S amorphous networks in relationship with rigidity transitions: An ab initio molecular dynamics study

2017-09-22T10:00:00+00:00

Author(s): S. Chakraborty, P. Boolchand, and M. Micoulaut

We investigate the amorphous ${\mathrm{Ge}}_{x}{\mathrm{S}}_{100−x}$ (with $10≤x≤40)$ system from ab initio simulations. Results show a very good agreement with experimental findings from diffraction and the topology of the obtained structural models is further analyzed and compared with the selenid...

[Phys. Rev. B 96, 094205] Published Fri Sep 22, 2017

Theory of quantum-circuit refrigeration by photon-assisted electron tunneling

2017-09-22T10:00:00+00:00

Author(s): Matti Silveri, Hermann Grabert, Shumpei Masuda, Kuan Yen Tan, and Mikko Möttönen

We focus on a recently experimentally realized scenario of normal-metal–insulator–superconductor tunnel junctions coupled to a superconducting resonator. We develop a first-principles theory to describe the effect of photon-assisted electron tunneling on the quantum state of the resonator. Our resul...

[Phys. Rev. B 96, 094524] Published Fri Sep 22, 2017

Relaxation dynamics of modulated magnetic phases in the skyrmion host ${\mathrm{GaV}}_{4}{\mathrm{S}}_{8}$: An ac magnetic susceptibility study

2017-09-22T10:00:00+00:00

Author(s): Ádám Butykai, Sándor Bordács, László F. Kiss, Bertalan György Szigeti, Vladimir Tsurkan, Alois Loidl, and István Kézsmárki

We report on the slow magnetization dynamics observed upon the magnetic phase transitions of ${\mathrm{GaV}}_{4}{\mathrm{S}}_{8}$, a multiferroic compound featuring a long-ranged cycloidal magnetic order and a Néel-type skyrmion lattice in a relatively broad temperature range below its Curie tempera...

[Phys. Rev. B 96, 104430] Published Fri Sep 22, 2017

Improper ferroelectricity at antiferromagnetic domain walls of perovskite oxides

2017-09-22T10:00:00+00:00

Author(s): Yali Yang, Hongjun Xiang, Hongjian Zhao, Alessandro Stroppa, Jincang Zhang, Shixun Cao, Jorge Íñiguez, L. Bellaiche, and Wei Ren

First-principles calculations are performed on magnetic multidomain structures in the $\mathrm{SmFe}{\mathrm{O}}_{3}$ rare-earth orthoferrite compound. We focus on the magnetic symmetry breaking at (001)-oriented antiphase domain walls, treating magnetism in the simplest (collinear) approximation wi...

[Phys. Rev. B 96, 104431] Published Fri Sep 22, 2017

Robust odd-parity superconductivity in the doped topological insulator ${\mathrm{Nb}}_{x}{\mathrm{Bi}}_{2}{\mathrm{Se}}_{3}$

2017-09-22T10:00:00+00:00

Author(s): M. P. Smylie, K. Willa, H. Claus, A. Snezhko, I. Martin, W.-K. Kwok, Y. Qiu, Y. S. Hor, E. Bokari, P. Niraula, A. Kayani, V. Mishra, and U. Welp

We present resistivity and magnetization measurements on proton-irradiated crystals demonstrating that the superconducting state in the doped topological insulator ${\mathrm{Nb}}_{x}{\mathrm{Bi}}_{2}{\mathrm{Se}}_{3}$ ($x=0.25$) is surprisingly robust against disorder-induced electron scattering. Th...

[Phys. Rev. B 96, 115145] Published Fri Sep 22, 2017

First-principles calculation of nonlinear optical responses by Wannier interpolation

2017-09-22T10:00:00+00:00

Author(s): Chong Wang, Xiaoyu Liu, Lei Kang, Bing-Lin Gu, Yong Xu, and Wenhui Duan

Various nonlinear optical (NLO) responses, like shift current and second harmonic generation (SHG), are revealed to be closely related to topological quantities involving the Berry connection and Berry curvature. First-principles prediction of NLO responses is of great importance to fundamental rese...

[Phys. Rev. B 96, 115147] Published Fri Sep 22, 2017

Observation of momentum-dependent charge excitations in hole-doped cuprates using resonant inelastic x-ray scattering at the oxygen $K$ edge

2017-09-22T10:00:00+00:00

Author(s): Kenji Ishii, Takami Tohyama, Shun Asano, Kentaro Sato, Masaki Fujita, Shuichi Wakimoto, Kenji Tustsui, Shigetoshi Sota, Jun Miyawaki, Hideharu Niwa, Yoshihisa Harada, Jonathan Pelliciari, Yaobo Huang, Thorsten Schmitt, Yoshiya Yamamoto, and Jun'ichiro Mizuki

We investigate electronic excitations in ${\mathrm{La}}_{2−x}{(\mathrm{Br},\mathrm{Sr})}_{x}{\mathrm{CuO}}_{4}$ using resonant inelastic x-ray scattering (RIXS) at the oxygen $K$ edge. RIXS spectra of the hole-doped cuprates show clear momentum dependence below 1 eV. The broad spectral weight exhibi...

[Phys. Rev. B 96, 115148] Published Fri Sep 22, 2017

Assessing the performance of the random phase approximation for exchange and superexchange coupling constants in magnetic crystalline solids

2017-09-22T10:00:00+00:00

Author(s): Thomas Olsen

The random phase approximation (RPA) for total energies has previously been shown to provide a qualitatively correct description of static correlation in molecular systems, where density functional theory (DFT) with local functionals are bound to fail. This immediately poses the question of whether ...

[Phys. Rev. B 96, 125143] Published Fri Sep 22, 2017

Korshunov instantons in a superconductor at elevated bias current

2017-09-22T10:00:00+00:00

Author(s): Daniel Otten and Fabian Hassler

Even at zero temperature dissipation reduces quantum fluctuations and tends to localize particles. A notable exception is the nonlinear dissipation due to quasiparticle tunneling in a Josephson junction. It is well known that quasiparticle dissipation does not suppress tunneling of the superconducti...

[Phys. Rev. B 96, 125433] Published Fri Sep 22, 2017

Ultrafast electron-lattice coupling dynamics in ${\mathrm{VO}}_{2}$ and ${\mathrm{V}}_{2}{\mathrm{O}}_{3}$ thin films

2017-09-21T10:00:00+00:00

Author(s): Elsa Abreu, Stephanie N. Gilbert Corder, Sun Jin Yun, Siming Wang, Juan Gabriel Ramírez, Kevin West, Jingdi Zhang, Salinporn Kittiwatanakul, Ivan K. Schuller, Jiwei Lu, Stuart A. Wolf, Hyun-Tak Kim, Mengkun Liu, and Richard D. Averitt

Ultrafast optical pump–optical probe and optical pump–terahertz probe spectroscopy were performed on vanadium dioxide (${\mathrm{VO}}_{2}$) and vanadium sesquioxide (${\mathrm{V}}_{2}{\mathrm{O}}_{3}$) thin films over a wide temperature range. A comparison of the experimental data from these two dif...

[Phys. Rev. B 96, 094309] Published Thu Sep 21, 2017

Magnetic field tunability of spin-polarized excitations in a high-temperature magnet

2017-09-21T10:00:00+00:00

Author(s): B. S. Holinsworth, H. Sims, J. G. Cherian, D. Mazumdar, N. C. Harms, B. C. L. Chapman, A. Gupta, S. A. McGill, and J. L. Musfeldt

We bring together magnetic circular dichroism, photoconductivity, and complementary first-principles calculations in order to unravel spin-charge interactions in the high Curie temperature magnet ${\mathrm{NiFe}}_{2}{\mathrm{O}}_{4}$. Analysis uncovers a massive set of well-isolated spin-down states...

[Phys. Rev. B 96, 094427] Published Thu Sep 21, 2017

Micromagnetic simulations of spin-torque driven magnetization dynamics with spatially resolved spin transport and magnetization texture

2017-09-21T10:00:00+00:00

Author(s): Simone Borlenghi, M. R. Mahani, Hans Fangohr, M. Franchin, Anna Delin, and Jonas Fransson

We present a simple and fast method to simulate spin-torque driven magnetization dynamics in nanopillar spin-valve structures. The approach is based on the coupling between a spin transport code based on random matrix theory and a micromagnetics finite-elements software. In this way the spatial depe...

[Phys. Rev. B 96, 094428] Published Thu Sep 21, 2017

Observation of two-dimensional superconductivity in bilayers of ${\mathrm{BaBiO}}_{3}$ and ${\mathrm{BaPbO}}_{3}$

2017-09-21T10:00:00+00:00

Author(s): B. Meir, S. Gorol, T. Kopp, and G. Hammerl

Lead-doped barium bismuthate is intriguing because of its relatively high critical temperature and the nature of its superconductivity in the vicinity of a charge-density-wave-ordered topological insulator. Here we present bilayers of barium bismuthate and barium leadate showing emergent superconduc...

[Phys. Rev. B 96, 100507(R)] Published Thu Sep 21, 2017

Thermally induced antiferromagnetic exchange in magnetic multilayers

2017-09-21T10:00:00+00:00

Author(s): D. M. Polishchuk, Yu. O. Tykhonenko-Polishchuk, E. Holmgren, A. F. Kravets, and V. Korenivski

We demonstrate sharp thermally induced switching between ferromagnetic and antiferromagnetic RKKY (Ruderman-Kittel-Kasuya-Yosida) exchange in a spin-valve with the spacer incorporating a thin diluted ferromagnetic layer as the core. We illustrate the mechanism behind the effect as being due to a cha...

[Phys. Rev. B 96, 104427] Published Thu Sep 21, 2017

Origin of the magnetoelectric effect in the ${\mathrm{Cs}}_{2}{\mathrm{FeCl}}_{5}·{\mathrm{D}}_{2}\mathrm{O}$ compound

2017-09-21T10:00:00+00:00

Author(s): Oscar Fabelo, J. Alberto Rodríguez-Velamazán, Laura Canadillas-Delgado, Lidia Mazzuca, Javier Campo, Ángel Millán, Laurent C. Chapon, and Juan Rodríguez-Carvajal

${\mathrm{Cs}}_{2}{\mathrm{FeCl}}_{5}·{\mathrm{D}}_{2}\mathrm{O}$ has been identified as a linear magnetoelectric material, although the correlation of this property with the magnetic structures of this compound has not been adequately studied. We have used single-crystal and powder neutron diffract...

[Phys. Rev. B 96, 104428] Published Thu Sep 21, 2017

Anisotropic field-induced gap in the quasi-one-dimensional antiferromagnet ${\mathrm{KCuMoO}}_{4}(\mathrm{OH})$

2017-09-21T10:00:00+00:00

Author(s): Kazuhiro Nawa, Oleg Janson, and Zenji Hiroi

We investigated magnetic and thermodynamic properties of $S=\frac{1}{2}$ quasi-one-dimensional antiferromagnet ${\mathrm{KCuMoO}}_{4}(\mathrm{OH})$ through single-crystalline magnetization and heat capacity measurements. At zero field, it behaves as a uniform $S=\frac{1}{2}$ Heisenberg antiferromagn...

[Phys. Rev. B 96, 104429] Published Thu Sep 21, 2017

Eigenstate thermalization hypothesis in quantum dimer models

2017-09-21T10:00:00+00:00

Author(s): Zhihao Lan and Stephen Powell

We use exact diagonalization to study the eigenstate thermalization hypothesis (ETH) in the quantum dimer model on the square and triangular lattices. Due to the nonergodicity of the local plaquette-flip dynamics, the Hilbert space, which consists of highly constrained close-packed dimer configurati...

[Phys. Rev. B 96, 115140] Published Thu Sep 21, 2017

Curved-line search algorithm for ab initio atomic structure relaxation

2017-09-21T10:00:00+00:00

Author(s): Zhanghui Chen, Jingbo Li, Shushen Li, and Lin-Wang Wang

Ab initio atomic relaxations often take large numbers of steps and long times to converge, especially when the initial atomic configurations are far from the local minimum or there are curved and narrow valleys in the multidimensional potentials. An atomic relaxation method based on on-the-flight fo...

[Phys. Rev. B 96, 115141] Published Thu Sep 21, 2017

Sensitive detection of level anticrossing spectra of nitrogen vacancy centers in diamond

2017-09-21T10:00:00+00:00

Author(s): S. V. Anishchik and K. L. Ivanov

We report a study of the magnetic field dependence of photoluminescence of ${\mathrm{NV}}^{−}$ centers (negatively charged nitrogen vacancy centers) in diamond single crystals. In such a magnetic field dependence characteristic sharp features are observed, which are coming from level anticrossings (...

[Phys. Rev. B 96, 115142] Published Thu Sep 21, 2017

de Haas–van Alphen measurements on the antiferromagnet ${\mathrm{URhIn}}_{5}$

2017-09-21T10:00:00+00:00

Author(s): Jing Fei Yu, Attila Bartha, Jeroen Custers, and Stephen R. Julian

We report on the results of a de Haas–van Alphen (dHvA) measurement performed on the recently discovered antiferromagnet ${\mathrm{URhIn}}_{5}$ (${T}_{N}=98$ K), a $5f$ analog of the well studied heavy fermion antiferromagnet ${\mathrm{CeRhIn}}_{5}$. We observe two small Fermi surfaces: a roughly sp...

[Phys. Rev. B 96, 115143] Published Thu Sep 21, 2017

Lattice and magnetic instabilities in $\mathrm{C}{\mathrm{u}}_{3}\mathrm{Bi}{(\mathrm{Se}{\mathrm{O}}_{3})}_{2}{\mathrm{O}}_{2}X$ ($X=\mathrm{Br},\phantom{\rule{0.28em}{0ex}}\mathrm{Cl}$)

2017-09-21T10:00:00+00:00

Author(s): V. Gnezdilov, Yu. Pashkevich, P. Lemmens, V. Kurnosov, P. Berdonosov, V. Dolgikh, E. Kuznetsova, V. Pryadun, K. Zakharov, and A. Vasiliev

Specific heat $C$, thermal conductivity κ, dielectric permittivity ε, electric polarization $P$, and Raman scattering experiments are performed on $\mathrm{C}{\mathrm{u}}_{3}\mathrm{Bi}{(\mathrm{Se}{\mathrm{O}}_{3})}_{2}{\mathrm{O}}_{2}X$ ($X=\mathrm{Br},\phantom{\rule{0.28em}{0ex}}\mathrm{Cl}$) sin...

[Phys. Rev. B 96, 115144] Published Thu Sep 21, 2017

Inelastic electron scattering in aggregates of transition metal atoms on metal surfaces

2017-09-21T10:00:00+00:00

Author(s): E. C. Goldberg and F. Flores

Inelastic spin excitations, as observed with a scanning tunneling microscope for Co/Co and Fe/Fe dimers on a Cu2N/Cu(100) surface, have been analyzed theoretically in this paper. In our approach, we use an extended ionic Hamiltonian for the magnetic atom that takes into account first, the role playe...

[Phys. Rev. B 96, 115439] Published Thu Sep 21, 2017

Nonequilibrium transport in the pseudospin-1 Dirac-Weyl system

2017-09-21T10:00:00+00:00

Author(s): Cheng-Zhen Wang, Hong-Ya Xu, Liang Huang, and Ying-Cheng Lai

Recently, solid state materials hosting pseudospin-1 quasiparticles have attracted a great deal of attention. In these materials, the energy band contains a pair of Dirac cones and a flatband through the connecting point of the cones. As the “caging” of carriers with a zero group velocity, the flatb...

[Phys. Rev. B 96, 115440] Published Thu Sep 21, 2017

Effect of nonsymmorphic space groups on correlation functions in iron-based superconductors

2017-09-21T10:00:00+00:00

Author(s): R. Nourafkan and A.-M. S. Tremblay

The orbital basis is natural when one needs to calculate the effect of local interactions or to unravel the role of orbital physics in the response to external probes. In systems with nonsymmorphic point groups, such as the iron-based superconductors, we show that symmetries that emerge in observabl...

[Phys. Rev. B 96, 125140] Published Thu Sep 21, 2017

Derivation of Oguri's linear conductance formula for interacting fermions within the Keldysh formalism

2017-09-21T10:00:00+00:00

Author(s): Jan Heyder, Florian Bauer, Dennis Schimmel, and Jan von Delft

We present a Keldysh-based derivation of a formula, previously obtained by Oguri using the Matsubara formalism, for the linear conductance through a central, interacting region coupled to noninteracting fermionic leads. Our starting point is the well-known Meir-Wingreen formula for the current, whos...

[Phys. Rev. B 96, 125141] Published Thu Sep 21, 2017

Landau levels in biased graphene structures with monolayer-bilayer interfaces

2017-09-21T10:00:00+00:00

Author(s): M. Mirzakhani, M. Zarenia, P. Vasilopoulos, S. A. Ketabi, and F. M. Peeters

The electron energy spectrum in monolayer-bilayer-monolayer and in bilayer-monolayer-bilayer graphene structures is investigated and the effects of a perpendicular magnetic field and electric bias are studied. Different types of monolayer-bilayer interfaces are considered as zigzag (ZZ) or armchair ...

[Phys. Rev. B 96, 125430] Published Thu Sep 21, 2017

Single vacancy defect in graphene: Insights into its magnetic properties from theoretical modeling

2017-09-21T10:00:00+00:00

Author(s): A. M. Valencia and M. J. Caldas

Magnetic properties of a single vacancy in graphene is a relevant and still much discussed problem. The experimental results point to a clearly detectable magnetic defect state at the Fermi energy, while calculations based on density functional theory (DFT) yield widely varying results for the magne...

[Phys. Rev. B 96, 125431] Published Thu Sep 21, 2017

Thermal transport through a spin-phonon interacting junction: A nonequilibrium Green's function method study

2017-09-21T10:00:00+00:00

Author(s): Zu-Quan Zhang and Jing-Tao Lü

Using the nonequilibrium Green's function method, we consider heat transport in an insulating ferromagnetic spin chain model with spin-phonon interaction under an external magnetic field. Employing the Holstein-Primakoff transformation to the spin system, we treat the resulted magnon-phonon interact...

[Phys. Rev. B 96, 125432] Published Thu Sep 21, 2017

Strain-phonon coupling in (111)-oriented perovskite oxides

2017-09-20T10:00:00+00:00

Author(s): Magnus Moreau, Astrid Marthinsen, Sverre M. Selbach, and Thomas Tybell

Strain-phonon coupling, in terms of the shift in phonon frequencies under biaxial strain, is studied by density functional theory calculations for 20 perovskite oxides strained in their (111) and (001) planes. While the strain-phonon coupling under (001) strain follows the established, intuitive tre...

[Phys. Rev. B 96, 094109] Published Wed Sep 20, 2017

Controllable quantum scars in semiconductor quantum dots

2017-09-20T10:00:00+00:00

Author(s): J. Keski-Rahkonen, P. J. J. Luukko, L. Kaplan, E. J. Heller, and E. Räsänen

Quantum scars are enhancements of quantum probability density along classical periodic orbits. We study the recently discovered phenomenon of strong perturbation-induced quantum scarring in the two-dimensional harmonic oscillator exposed to a homogeneous magnetic field. We demonstrate that both the ...

[Phys. Rev. B 96, 094204] Published Wed Sep 20, 2017

Quantum time crystal by decoherence: Proposal with an incommensurate charge density wave ring

2017-09-20T10:00:00+00:00

Author(s): K. Nakatsugawa, T. Fujii, and S. Tanda

We show that time translation symmetry of a ring system with a macroscopic quantum ground state is broken by decoherence. In particular, we consider a ring-shaped incommensurate charge density wave (ICDW ring) threaded by a fluctuating magnetic flux: the Caldeira-Leggett model is used to model the f...

[Phys. Rev. B 96, 094308] Published Wed Sep 20, 2017

Observation of the inverse spin Hall effect in the topological crystalline insulator SnTe using spin pumping

2017-09-20T10:00:00+00:00

Author(s): Shinobu Ohya, Akiyori Yamamoto, Tomonari Yamaguchi, Ryo Ishikawa, Ryota Akiyama, Le Duc Anh, Shobhit Goel, Yuki K. Wakabayashi, Shinji Kuroda, and Masaaki Tanaka

Topological crystalline insulator SnTe is a promising material for future spintronics applications because of the strong spin-orbit coupling and surface states protected by the mirror symmetry of the crystal. In this paper, using a high-quality epitaxial (001)-oriented Fe/SnTe/CdTe/ZnTe heterostruct...

[Phys. Rev. B 96, 094424] Published Wed Sep 20, 2017

Specific heat study of the magnetocaloric effect in the Haldane-gap $S=1$ spin-chain material $[\mathrm{Ni}{({\mathrm{C}}_{2}{\mathrm{H}}_{8}{\mathrm{N}}_{2})}_{2}{\mathrm{NO}}_{2}]({\mathrm{BF}}_{4})$

2017-09-20T10:00:00+00:00

Author(s): M. Orendáč, R. Tarasenko, V. Tkáč, A. Orendáčová, and V. Sechovský

Magnetocaloric effect in the Haldane-gap $S=1$ spin-chain $[\mathrm{Ni}{({\mathrm{C}}_{2}{\mathrm{H}}_{8}{\mathrm{N}}_{2})}_{2}{\mathrm{NO}}_{2}]({\mathrm{BF}}_{4})$ was investigated at low temperatures $({k}_{B}T≪J)$ and magnetic fields up to nominally $0.1{B}_{\mathrm{sat}}$, where $J$ and ${B}_{\... [Phys. Rev. B 96, 094425] Published Wed Sep 20, 2017 Magnetic states at the surface of$α\text{−}{\mathrm{Fe}}_{2}{\mathrm{O}}_{3}$thin films doped with Ti, Zn, or Sn 2017-09-20T10:00:00+00:00 Author(s): David S. Ellis, Eugen Weschke, Asaf Kay, Daniel A. Grave, Kirtiman Deo Malviya, Hadar Mor, Frank M. F. de Groot, Hen Dotan, and Avner Rothschild The spin states at the surface of epitaxial thin films of hematite, both undoped and doped with 1% Ti, Sn, or Zn, respectively, were probed with x-ray magnetic linear dichroism (XMLD) spectroscopy. Morin transitions were observed for the undoped$({T}_{M}≈200$K) and Sn-doped$({T}_{M}≈300$K) cases... [Phys. Rev. B 96, 094426] Published Wed Sep 20, 2017 Erratum: Heisenberg and Dzyaloshinskii-Moriya interactions controlled by molecular packing in trinuclear organometallic clusters [Phys. Rev. B 95, 094432 (2017)] 2017-09-20T10:00:00+00:00 Author(s): B. J. Powell, J. Merino, A. L. Khosla, and A. C. Jacko [Phys. Rev. B 96, 099902] Published Wed Sep 20, 2017 Anomalous random correlations of force constants on the lattice dynamical properties of disordered Au-Fe alloys 2017-09-20T10:00:00+00:00 Author(s): Jiban Kangsabanik, Rajiv K. Chouhan, D. D. Johnson, and Aftab Alam Gold iron (Au-Fe) alloys are of immense interest due to their biocompatibility, anomalous Hall conductivity, and applications in various medical treatments. However, irrespective of the method of preparation, they often exhibit a high level of disorder with properties sensitive to the thermal or mag... [Phys. Rev. B 96, 100201(R)] Published Wed Sep 20, 2017 Tuning pairing amplitude and spin-triplet texture by curving superconducting nanostructures 2017-09-20T10:00:00+00:00 Author(s): Zu-Jian Ying, Mario Cuoco, Carmine Ortix, and Paola Gentile We investigate the nature of the superconducting (SC) state in curved nanostructures with Rashba spin-orbit coupling (RSOC). In bent nanostructures with inhomogeneous curvature we find a local enhancement or suppression of the SC order parameter, with the effect that can be tailored by tuning either... [Phys. Rev. B 96, 100506(R)] Published Wed Sep 20, 2017 Strain-induced incommensurate phases in hexagonal manganites 2017-09-20T10:00:00+00:00 Author(s): Fei Xue, Xueyun Wang, Yin Shi, Sang-Wook Cheong, and Long-Qing Chen An incommensurate phase refers to a solid state in which the period of a superstructure is incommensurable with its primitive unit cell. It was recently shown that an incommensurate phase, which displays a single chiral modulation of six domain variants, could be induced by applying an in-plane stra... [Phys. Rev. B 96, 104109] Published Wed Sep 20, 2017 Effects of local periodic driving on transport and generation of bound states 2017-09-20T10:00:00+00:00 Author(s): Adhip Agarwala and Diptiman Sen We periodically kick a local region in a one-dimensional lattice and demonstrate, by studying wave packet dynamics, that the strength and the time period of the kicking can be used as tuning parameters to control the transmission probability across the region. Interestingly, we can tune the transmis... [Phys. Rev. B 96, 104309] Published Wed Sep 20, 2017 Quasiparticle relaxation in superconducting nanostructures 2017-09-20T10:00:00+00:00 Author(s): Yahor Savich, Leonid Glazman, and Alex Kamenev We examine energy relaxation of nonequilibrium quasiparticles in “dirty” superconductors with the electron mean free path much shorter than the superconducting coherence length. Relaxation of low-energy nonequilibrium quasiparticles is dominated by phonon emission. We derive the corresponding collis... [Phys. Rev. B 96, 104510] Published Wed Sep 20, 2017 Fluctuation-induced continuous transition and quantum criticality in Dirac semimetals 2017-09-20T10:00:00+00:00 Author(s): Laura Classen, Igor F. Herbut, and Michael M. Scherer Thermal phase transitions are successfully described by fluctuations of an appropriate order parameter, which further allows classification of the transition into first or second order. However, some quantum analogs of thermal phase transitions defy this description and identifying the mechanisms behind these unconventional processes will fundamentally improve our understanding of matter. Here, the authors provide a thorough study of such a transition, which has been experimentally accessed in graphene: the emergence of a Kekulé valence bond solid. Additional gapless quantum fluctuations of Dirac electrons change the nature of this transition from first to second order. Using a nonperturbative functional renormalization group approach, the authors advance the state-of-the-art estimates for the corresponding critical exponents and predict measurable corrections to scaling. (image) [Phys. Rev. B 96, 115132] Published Wed Sep 20, 2017 Lattice realization of a bosonic integer quantum Hall state–trivial insulator transition and relation to the self-dual line in the easy-plane NCCP1 model 2017-09-20T10:00:00+00:00 Author(s): Scott Geraedts and Olexei I. Motrunich We provide an explicit lattice model of bosons with two separately conserved boson species$[U(1)×U(1)$global symmetry] realizing a direct transition between an integer quantum Hall effect of bosons and a trivial phase, where any intermediate phase is avoided by an additional symmetry interchanging... [Phys. Rev. B 96, 115137] Published Wed Sep 20, 2017 Raman scattering study of vibrational and magnetic excitations in${\mathbf{Sr}}_{2−x}{\mathbf{La}}_{x}{\mathbf{IrO}}_{4}$2017-09-20T10:00:00+00:00 Author(s): H. Gretarsson, J. Sauceda, N. H. Sung, M. Höppner, M. Minola, B. J. Kim, B. Keimer, and M. Le Tacon Sr${}_{2}$IrO${}_{4}$ is considered as a strong spin-orbit coupled equivalent of high-temperature superconducting cuprates. Recent experiments have most notably shown that upon electron doping a pseudogap emerges in Sr${}_{2}$IrO${}_{4}$ and that magnonlike excitations survive the rapid disappearance of long-range magnetic order. However, due to the relatively small crystal sizes and the large Ir neutron cross section, information on charge excitations and magnetism has mostly been gathered using synchrotron-based spectroscopic methods. Here, the authors use Raman scattering on electron-doped Sr${}_{2-x}$La${}_{x}$IrO${}_{4}$ single crystals to carry out a temperature and doping study of the lattice and magnetic excitations, and observe the emergence upon doping of an electron-hole continuum that couples to the phonons. Even in metallic samples, fluctuating magnetic moments and mobile carriers therefore coexist, again in close analogy with the doped cuprates. (image) [Phys. Rev. B 96, 115138] Published Wed Sep 20, 2017 Effective description of correlations for states obtained from conformal field theory 2017-09-20T10:00:00+00:00 Author(s): Benedikt Herwerth, Germán Sierra, J. Ignacio Cirac, and Anne E. B. Nielsen We study states of one- and two-dimensional spin systems that are constructed as correlators within the conformal field theory of a massless, free boson. In one dimension, these are good variational wave functions for$XXZ$spin chains, and they are similar to lattice Laughlin states in two dimensio... [Phys. Rev. B 96, 115139] Published Wed Sep 20, 2017 Benchmark results and theoretical treatments for valence-to-core x-ray emission spectroscopy in transition metal compounds 2017-09-20T10:00:00+00:00 Author(s): D. R. Mortensen, G. T. Seidler, Joshua J. Kas, Niranjan Govind, Craig P. Schwartz, Sri Pemmaraju, and David G. Prendergast We report measurement of the valence-to-core (VTC) region of the K-shell x-ray emission spectra from several Zn and Fe inorganic compounds, and their critical comparison with three existing theoretical treatments. We find generally good agreement between the respective theories and experiment and in... [Phys. Rev. B 96, 125136] Published Wed Sep 20, 2017 Thermal transport across a continuous metal-insulator transition 2017-09-20T10:00:00+00:00 Author(s): P. Haldar, M. S. Laad, and S. R. Hassan The celebrated Wiedemann-Franz (WF) law is believed to be robust in metals as long as interactions between electrons preserve their fermion-quasiparticle character. We study thermal transport and the fate of the WF law close to a continuous metal-insulator transition (MIT) in the Falicov-Kimball mod... [Phys. Rev. B 96, 125137] Published Wed Sep 20, 2017 Electronic correlation effects and orbital density wave in the layered compound$1T{\text{-TaS}}_{2}$2017-09-20T10:00:00+00:00 Author(s): Xiang-Long Yu, Da-Yong Liu, Ya-Min Quan, Jiansheng Wu, Hai-Qing Lin, Kai Chang, and Liang-Jian Zou In this paper, we present the electronic structures and orbital-resolved electronic properties of structurally distorted$1T\text{−}{\mathrm{TaS}}_{2}$bulk and monolayer within density functional theory approaches. The relaxed commensurate-charge-density-wave (CCDW) structure shows that 13 Ta atoms... [Phys. Rev. B 96, 125138] Published Wed Sep 20, 2017 Phenomenological theories of the low-temperature pseudogap: Hall number, specific heat, and Seebeck coefficient 2017-09-20T10:00:00+00:00 Author(s): S. Verret, O. Simard, M. Charlebois, D. Sénéchal, and A.-M. S. Tremblay An elegant way to probe the mysterious “pseudogap” state in cuprates is to suppress superconductivity with strong magnetic fields and work at low temperature. Then, impurity scattering dominates, which simplifies calculations. A number of theories thus successfully explain the sudden change in carrier number observed experimentally. To tell these theories apart, the work here provides new predictions. First, it shows how electron pockets cause strong signatures in the specific heat and Seebeck coefficient. Second, it addresses inconsistencies in scattering rate approximations for the Hall and the Seebeck effects. Third, it shows the influence of the Van Hove singularity on these quantities. (image) [Phys. Rev. B 96, 125139] Published Wed Sep 20, 2017 Li-intercalated graphene on SiC(0001): An STM study 2017-09-20T10:00:00+00:00 Author(s): Sara Fiori, Yuya Murata, Stefano Veronesi, Antonio Rossi, Camilla Coletti, and Stefan Heun We present a systematical study via scanning tunneling microscopy (STM) and low-energy electron diffraction (LEED) on the effect of the exposure of lithium on graphene on silicon carbide (SiC). We have investigated Li deposition both on epitaxial monolayer graphene and on buffer layer surfaces on th... [Phys. Rev. B 96, 125429] Published Wed Sep 20, 2017 Braiding errors in interacting Majorana quantum wires 2017-09-19T10:00:00+00:00 Author(s): Michael Sekania, Stephan Plugge, Martin Greiter, Ronny Thomale, and Peter Schmitteckert Avenues of Majorana bound states (MBSs) have become one of the primary directions towards a possible realization of topological quantum computation. For a Y junction of Kitaev quantum wires, we numerically investigate the braiding of MBSs while considering the full quasiparticle background. The two ... [Phys. Rev. B 96, 094307] Published Tue Sep 19, 2017 Spin-reorientation transitions in the Cairo pentagonal magnet${\mathbf{Bi}}_{4}{\mathbf{Fe}}_{5}{\mathbf{O}}_{13}\mathbf{F}$2017-09-19T10:00:00+00:00 Author(s): Alexander A. Tsirlin, Ioannis Rousochatzakis, Dmitry Filimonov, Dmitry Batuk, Matthias Frontzek, and Artem M. Abakumov We show that interlayer spins play a dual role in the Cairo pentagonal magnet${\mathrm{Bi}}_{4}{\mathrm{Fe}}_{5}{\mathrm{O}}_{13}\mathrm{F}$, on one hand mediating the three-dimensional magnetic order, and on the other driving spin-reorientation transitions both within and between the planes. The c... [Phys. Rev. B 96, 094420] Published Tue Sep 19, 2017 Terahertz-frequency magnetoelectric effect in Ni-doped${\mathrm{CaBaCo}}_{4}{\mathrm{O}}_{7}$2017-09-19T10:00:00+00:00 Author(s): Shukai Yu, C. Dhanasekhar, Venimadhav Adyam, Skylar Deckoff-Jones, Michael K. L. Man, Julien Madéo, E Laine Wong, Takaaki Harada, M. Bala Murali Krishna, Keshav M. Dani, and Diyar Talbayev We present a study of the terahertz-frequency magnetoelectric effect in ferrimagnetic pyroelectric${\mathrm{CaBaCo}}_{4}{\mathrm{O}}_{7}$and its Ni-doped variants. The terahertz absorption spectrum of these materials consists of spin excitations and low-frequency infrared-active phonons. We studie... [Phys. Rev. B 96, 094421] Published Tue Sep 19, 2017 Negative permeability in magnetostatics and its experimental demonstration 2017-09-19T10:00:00+00:00 Author(s): Rosa Mach-Batlle, Albert Parra, Jordi Prat-Camps, Sergi Laut, Carles Navau, and Alvaro Sanchez The control of magnetic fields, essential for our science and technology, is currently achieved by magnetic materials with positive permeability, including ferromagnetic, paramagnetic, and diamagnetic types. Here we introduce materials with negative static permeability as a new paradigm for manipula... [Phys. Rev. B 96, 094422] Published Tue Sep 19, 2017 Magnetic structure and spin-wave excitations in the multiferroic magnetic metal-organic framework${(\mathrm{CD}}_{3}{)}_{2}{\mathrm{ND}}_{2}{[{\mathrm{Mn}(\mathrm{DCO}}_{2})}_{3}]$2017-09-19T10:00:00+00:00 Author(s): H. C. Walker, H. D. Duncan, M. D. Le, D. A. Keen, D. J. Voneshen, and A. E. Phillips We report the magnetic diffraction pattern and spin-wave excitations in${(\mathrm{CD}}_{3}{)}_{2}{\mathrm{ND}}_{2}{[{\mathrm{Mn}(\mathrm{DCO}}_{2})}_{3}]$measured using elastic and inelastic neutron scattering. The magnetic structure is shown to be a$G$-type antiferromagnet with moments pointing ... [Phys. Rev. B 96, 094423] Published Tue Sep 19, 2017 Pair breaking of multigap superconductivity under parallel magnetic fields in the electric-field-induced surface metallic state 2017-09-19T10:00:00+00:00 Author(s): Masahiro Nabeta, Kenta K. Tanaka, Seiichiro Onari, and Masanori Ichioka The roles of paramagnetic and diamagnetic pair-breaking effects in superconductivity in the electric-field-induced surface metallic state are studied using the Bogoliubov–de Gennes equation when magnetic fields are applied parallel to the surface. The multigap states of the subbands are related to t... [Phys. Rev. B 96, 094522] Published Tue Sep 19, 2017 Effect of proton irradiation on the normal-state low-energy excitations of$\mathbf{Ba}{({\mathbf{Fe}}_{1−x}{\mathbf{Rh}}_{x})}_{2}{\mathbf{As}}_{2}$superconductors 2017-09-19T10:00:00+00:00 Author(s): M. Moroni, L. Gozzelino, G. Ghigo, M. A. Tanatar, R. Prozorov, P. C. Canfield, and P. Carretta We present a$^{75}\mathrm{As}$nuclear magnetic resonance (NMR) and resistivity study of the effect of 5.5 MeV proton irradiation on the optimal electron doped$(x=0.068)$and overdoped$(x=0.107)\mathrm{Ba}{({\mathrm{Fe}}_{1−x}{\mathrm{Rh}}_{x})}_{2}{\mathrm{As}}_{2}$iron based superconductors... [Phys. Rev. B 96, 094523] Published Tue Sep 19, 2017 Real-space observation of nanoscale magnetic phase separation in dysprosium by aberration-corrected Lorentz microscopy 2017-09-19T10:00:00+00:00 Author(s): Takuro Nagai, Koji Kimoto, Koji Inoke, and Masaki Takeguchi Nanoscale magnetic phase separation in dysprosium has been revealed by aberration-corrected Lorentz microscopy. The in-plane magnetization distribution of the coexisting magnetic phases has been visualized successfully by combining high-resolution Lorentz microscopy with the transport-of-intensity equation method. The phase separation of the ferromagnetic and the helical antiferromagnetic (HAFM) phases results in the formation of static magnetic solitons at around 130 K in the absence of external magnetic field. External fields of up to about 11 kOe induce nanoscale phase separation of the HAFM, the distorted HAFM, and the fan phases at 142 K. The developed technique for the high-resolution observation of fine magnetic structures is a valuable addition to the modern toolbox of magnetic materials research. (image) [Phys. Rev. B 96, 100405(R)] Published Tue Sep 19, 2017 Transport properties across the many-body localization transition in quasiperiodic and random systems 2017-09-19T10:00:00+00:00 Author(s): F. Setiawan, Dong-Ling Deng, and J. H. Pixley We theoretically study transport properties in one-dimensional interacting quasiperiodic systems at infinite temperature. We compare and contrast the dynamical transport properties across the many-body localization (MBL) transition in quasiperiodic and random models. Using exact diagonalization we c... [Phys. Rev. B 96, 104205] Published Tue Sep 19, 2017 Bounds on complex polarizabilities and a new perspective on scattering by a lossy inclusion 2017-09-19T10:00:00+00:00 Author(s): Graeme W. Milton Here, we obtain explicit formulas for bounds on the complex electrical polarizability at a given frequency of an inclusion with known volume that follow directly from the quasistatic bounds of Bergman and Milton on the effective complex dielectric constant of a two-phase medium. We also describe how... [Phys. Rev. B 96, 104206] Published Tue Sep 19, 2017 Coherent generation of symmetry-forbidden phonons by light-induced electron-phonon interactions in magnetite 2017-09-19T10:00:00+00:00 Author(s): S. Borroni, E. Baldini, V. M. Katukuri, A. Mann, K. Parlinski, D. Legut, C. Arrell, F. van Mourik, J. Teyssier, A. Kozlowski, P. Piekarz, O. V. Yazyev, A. M. Oleś, J. Lorenzana, and F. Carbone Symmetry breaking across phase transitions often causes changes in selection rules and emergence of optical modes which can be detected via spectroscopic techniques or generated coherently in pump-probe experiments. In second-order or weakly first-order transitions, fluctuations of the ordering fiel... [Phys. Rev. B 96, 104308] Published Tue Sep 19, 2017 Photomagnonic nanocavities for strong light–spin-wave interaction 2017-09-19T10:00:00+00:00 Author(s): P. A. Pantazopoulos, N. Stefanou, E. Almpanis, and N. Papanikolaou The interaction of visible and near-infrared light with spin waves in appropriately designed dual nanocavities, for both photons and magnons, is investigated by means of rigorous calculations, correct to arbitrary order in the magneto-optical coupling parameter. It is shown that the concurrent local... [Phys. Rev. B 96, 104425] Published Tue Sep 19, 2017 Off-axis spin orientation in goethite nanoparticles 2017-09-19T10:00:00+00:00 Author(s): Erik Brok, Kim Lefmann, Gøran Jan Nilsen, Mathias Kure, and Cathrine Frandsen Neutron diffraction is a powerful technique for determining the magnetic structure of antiferromagnetic materials. However, for some of these, determining the detailed magnetic structure remains a challenge. In goethite ($α$-FeOOH) the antiferromagnetic unit cell coincides with the chemical unit cel... [Phys. Rev. B 96, 104426] Published Tue Sep 19, 2017 Transient terahertz photoconductivity of insulating cuprates 2017-09-19T10:00:00+00:00 Author(s): J. C. Petersen, A. Farahani, D. G. Sahota, Ruixing Liang, and J. S. Dodge We establish a detailed phenomenology of photocarrier transport in the copper oxide plane by studying the transient terahertz photoconductivity of${\mathrm{Sr}}_{2}{\mathrm{CuO}}_{2}{\mathrm{Cl}}_{2}$and${\mathrm{YBa}}_{2}{\mathrm{Cu}}_{3}{\mathrm{O}}_{6}$. The peak photoconductivity saturates wi... [Phys. Rev. B 96, 115133] Published Tue Sep 19, 2017 Examining real-time time-dependent density functional theory nonequilibrium simulations for the calculation of electronic stopping power 2017-09-19T10:00:00+00:00 Author(s): Dillon C. Yost, Yi Yao, and Yosuke Kanai In ion irradiation processes, electronic stopping power describes the energy transfer rate from the irradiating ion to the target material's electrons. Due to the scarcity and significant uncertainties in experimental electronic stopping power data for materials beyond simple solids, there has been ... [Phys. Rev. B 96, 115134] Published Tue Sep 19, 2017 Effect of different in-chain impurities on the magnetic properties of the spin chain compound${\mathrm{SrCuO}}_{2}$probed by NMR 2017-09-19T10:00:00+00:00 Author(s): Yannic Utz, Franziska Hammerath, Roberto Kraus, Tobias Ritschel, Jochen Geck, Liviu Hozoi, Jeroen van den Brink, Ashwin Mohan, Christian Hess, Koushik Karmakar, Surjeet Singh, Dalila Bounoua, Romuald Saint-Martin, Loreynne Pinsard-Gaudart, Alexandre Revcolevschi, Bernd Büchner, and Hans-Joachim Grafe The$S=1/2$Heisenberg spin chain compound${\mathrm{SrCuO}}_{2}$doped with different amounts of nickel (Ni), palladium (Pd), zinc (Zn), and cobalt (Co) has been studied by means of Cu nuclear magnetic resonance (NMR). Replacing only a few of the$S=1/2$Cu ions with Ni, Pd, Zn, or Co has a major i... [Phys. Rev. B 96, 115135] Published Tue Sep 19, 2017 Universal boundary entropies in conformal field theory: A quantum Monte Carlo study 2017-09-19T10:00:00+00:00 Author(s): Wei Tang, Lei Chen, Wei Li, X. C. Xie, Hong-Hao Tu, and Lei Wang In addition to the celebrated Affleck-Ludwig entropy originating from the open boundaries of the path-integral manifold, recent research has shown that the entropy correction on nonorientable manifolds such as the Klein bottle is also a universal characterization of critical systems with an emergent conformal field theory (CFT). Here, the authors show that the Klein bottle entropy can be interpreted as a boundary effect by transforming the Klein bottle into an orientable manifold, whereby the Klein bottle entropy bears a resemblance to the Affleck-Ludwig entropy. The authors then propose a generic scheme to extract these universal boundary entropies from lattice models. Numerical results for the $q$-state Potts model are compared with the CFT predictions. (image) [Phys. Rev. B 96, 115136] Published Tue Sep 19, 2017 Scanning tunneling microscopy and spectroscopy of finite-size twisted bilayer graphene 2017-09-19T10:00:00+00:00 Author(s): Wen-Xiao Wang, Hua Jiang, Yu Zhang, Si-Yu Li, Haiwen Liu, Xinqi Li, Xiaosong Wu, and Lin He Finite-size twisted bilayer graphene (TBG, where here the TBG is of nanoscale size) is quite unstable and will change its structure to a Bernal (or$AB$-stacking) bilayer with a much lower energy. Therefore, the lack of finite-size TBG makes its electronic properties difficult to access in experimen... [Phys. Rev. B 96, 115434] Published Tue Sep 19, 2017 Field-enhanced direct tunneling in ultrathin atomic-layer-deposition-grown${\mathrm{Au}−\mathrm{Al}}_{2}{\mathrm{O}}_{3}$-Cr metal-insulator-metal structures 2017-09-19T10:00:00+00:00 Author(s): L. Fry-Bouriaux, M. C. Rosamond, D. A. Williams, A. G. Davies, and C. Wälti Metal-insulator-metal structures based on ultrathin high-$k$dielectric films are underpinning a rapidly increasing number of devices and applications. Here, we report detailed electrical characterizations of asymmetric metal-insulator-metal devices featuring atomic layer deposited 2-nm-thick${\mat...

[Phys. Rev. B 96, 115435] Published Tue Sep 19, 2017

Faraday rotation spectrum of magneto-optical nanoparticle aggregates

2017-09-19T10:00:00+00:00

Author(s): Mahdiyeh Sadrara and MirFaez Miri

The interaction of light with a cluster of gyrotropic spherical particles is studied in view of a miniaturized Faraday rotator. The electromagnetic fields are expanded in terms of the vector multipole fields and the expansion of the scattered field is related to that of the incident field. An incide...

[Phys. Rev. B 96, 115436] Published Tue Sep 19, 2017

Loss of adiabaticity with increasing tunneling gap in nonintegrable multistate Landau-Zener models

2017-09-19T10:00:00+00:00

Author(s): Rajesh K. Malla and M. E. Raikh

We consider the simplest nonintegrable model of the multistate Landau-Zener transition. In this model, two pairs of levels in two tunnel-coupled quantum dots are swept past each other by the gate voltage. Although this $2×2$ model is nonintegrable, it can be solved analytically in the limit when the...

[Phys. Rev. B 96, 115437] Published Tue Sep 19, 2017

Low-energy electron diffraction from ferroelectric surfaces: Dead layers and surface dipoles in clean ${\mathrm{Pb}(\mathrm{Zr},\mathrm{Ti})\mathrm{O}}_{3}(001)$

2017-09-19T10:00:00+00:00

Author(s): Cristian M. Teodorescu, Lucian Pintilie, Nicoleta G. Apostol, Ruxandra M. Costescu, George A. Lungu, Luminiţa Hrib, Lucian Trupină, Liviu C. Tănase, Ioana C. Bucur, and Amelia E. Bocîrnea

The positions of the low energy electron diffraction (LEED) spots from ferroelectric single crystal films depend on its polarization state, due to electric fields generated outside of the sample. One may derive the surface potential energy, yielding the depth where the mobile charge carriers compens...

[Phys. Rev. B 96, 115438] Published Tue Sep 19, 2017

2017-09-19T10:00:00+00:00

Author(s): Rina Takashima, Satoshi Fujimoto, and Takehito Yokoyama

We study spin-transfer torques induced by a spin-triplet supercurrent in a magnet with the superconducting proximity effect. By a perturbative approach, we show that spin-triplet correlations realize new types of torques, which are analogous to the adiabatic and nonadiabatic ($β$) torques, without e...

[Phys. Rev. B 96, 121203(R)] Published Tue Sep 19, 2017

Collective charge excitations of the two-dimensional electride ${\mathrm{Ca}}_{2}\mathrm{N}$

2017-09-19T10:00:00+00:00

Author(s): Pierluigi Cudazzo and Matteo Gatti

${\mathrm{Ca}}_{2}\mathrm{N}$ is a layered material that has been recently identified as a two-dimensional (2D) electride, an unusual ionic compound in which electrons serve as anions. The electronic properties of 2D electrides attract considerable interest as the anionic electrons, which form a 2D ...

[Phys. Rev. B 96, 125131] Published Tue Sep 19, 2017

First-principles study of the luminescence of ${\mathrm{Eu}}^{2+}$-doped phosphors

2017-09-19T10:00:00+00:00

Author(s): Yongchao Jia, Anna Miglio, Samuel Poncé, Masayoshi Mikami, and Xavier Gonze

The luminescence of fifteen representative ${\mathrm{Eu}}^{2+}$-doped phosphors used for white-LED and scintillation applications is studied through a constrained density functional theory. Transition energies and Stokes shift are deduced from differences of total energies between the ground and exc...

[Phys. Rev. B 96, 125132] Published Tue Sep 19, 2017

Manipulating light at subwavelength scale by exploiting defect-guided spoof plasmon modes

2017-09-19T10:00:00+00:00

Author(s): A. Ourir, A. Maurel, S. Félix, J.-F. Mercier, and M. Fink

We study the defect-guided modes supported by a set of metallic rods structured at the subwavelength scale. Following the idea of photonic crystal waveguide, we show that spoof plasmon surface waves can be manipulated at subwavelength scale. We demonstrate that these waves can propagate without leak...

[Phys. Rev. B 96, 125133] Published Tue Sep 19, 2017

Plasmonic modes of polygonal rods calculated using a quantum hydrodynamics method

2017-09-19T10:00:00+00:00

Author(s): Kun Ding and C. T. Chan

Plasmonic resonances of nanoparticles have drawn lots of attention due to their interesting and useful properties such as strong field enhancements. The self-consistent hydrodynamics model has the advantage that it can incorporate the quantum effect of the electron gas into classical electrodynamics...

[Phys. Rev. B 96, 125134] Published Tue Sep 19, 2017

Structural and electronic properties of $α$-(BEDT-TTF)${}_{2}{\mathrm{I}}_{3}$, $β$-(BEDT-TTF)${}_{2}{\mathrm{I}}_{3}$, and $κ$-(BEDT-TTF)${}_{2}{X}_{3}$ ($X$ = I, F, Br, Cl) organic charge transfer salts

2017-09-19T10:00:00+00:00

Author(s): Benjamin Commeau, R. Matthias Geilhufe, Gayanath W. Fernando, and Alexander V. Balatsky

${(\mathrm{BEDT}\text{−}\mathrm{TFF})}_{2}{\mathrm{I}}_{3}$ charge transfer salts are reported to show superconductivity and pressure-induced quasi-two-dimensional Dirac cones at the Fermi level. By performing state of the art ab initio calculations in the framework of density functional theory, we ...

[Phys. Rev. B 96, 125135] Published Tue Sep 19, 2017

Finite-size effects in a nanowire strongly coupled to a thin superconducting shell

2017-09-19T10:00:00+00:00

Author(s): Christopher Reeg, Daniel Loss, and Jelena Klinovaja

We study the proximity effect in a one-dimensional nanowire strongly coupled to a finite superconductor with a characteristic size which is much shorter than its coherence length. Such geometries have become increasingly relevant in recent years in the experimental search for Majorana fermions with ...

[Phys. Rev. B 96, 125426] Published Tue Sep 19, 2017

Finite-size nanowire at a surface: Unconventional power laws of the van der Waals interaction

2017-09-19T10:00:00+00:00

Author(s): K. A. Makhnovets and A. K. Kolezhuk

We study the van der Waals interaction of a metallic or narrow-gap semiconducting nanowire with a surface, in the regime of intermediate wire-surface distances $({v}_{F}/c)L≪d≪L$ or $L≪d≪(c/{v}_{F})L$, where $L$ is the nanowire length, $d$ is the distance to the surface, and ${v}_{F}$ is the charact...

[Phys. Rev. B 96, 125427] Published Tue Sep 19, 2017

Dispersion of the nonlinear susceptibility in gold nanoantennas

2017-09-19T10:00:00+00:00

Author(s): V. Knittel, M. P. Fischer, M. Vennekel, T. Rybka, A. Leitenstorfer, and D. Brida

Femtosecond optical pulses tunable in the near infrared are exploited to drive third harmonic generation (THG) and incoherent multiphoton photoluminescence (MPPL) in gold plasmonic nanoantennas. By comparing the yield of the two processes concurrently occurring on the same nanostructure, we extract ...

[Phys. Rev. B 96, 125428] Published Tue Sep 19, 2017

Mechanism of nucleation and incipient growth of Re clusters in irradiated W-Re alloys from kinetic Monte Carlo simulations

2017-09-18T10:00:00+00:00

Author(s): Chen-Hsi Huang, Leili Gharaee, Yue Zhao, Paul Erhart, and Jaime Marian

High-temperature, high-dose, neutron irradiation of W results in the formation of Re-rich clusters at concentrations one order of magnitude lower than the thermodynamic solubility limit. These clusters may eventually transform into brittle W-Re intermetallic phases, which can lead to high levels of ...

[Phys. Rev. B 96, 094108] Published Mon Sep 18, 2017

Prethermal time crystals in a one-dimensional periodically driven Floquet system

2017-09-18T10:00:00+00:00

Author(s): Tian-Sheng Zeng and D. N. Sheng

Motivated by experimental observations of time-symmetry breaking behavior in a periodically driven (Floquet) system, we study a one-dimensional spin model to explore the stability of such Floquet discrete time crystals (DTCs) under the interplay between interaction and the microwave driving. For int...

[Phys. Rev. B 96, 094202] Published Mon Sep 18, 2017

Atomic theory of viscoelastic response and memory effects in metallic glasses

2017-09-18T10:00:00+00:00

Author(s): Bingyu Cui, Jie Yang, Jichao Qiao, Minqiang Jiang, Lanhong Dai, Yun-Jiang Wang, and Alessio Zaccone

An atomic-scale theory of the viscoelastic response of metallic glasses is derived from first principles, using a Zwanzig-Caldeira-Leggett system-bath Hamiltonian as a starting point within the framework of nonaffine linear response to mechanical deformation. This approach provides a generalized Lan...

[Phys. Rev. B 96, 094203] Published Mon Sep 18, 2017

Broadband sound pressure enhancement in passive metafluids

2017-09-18T10:00:00+00:00

Author(s): Bogdan-Ioan Popa

Acoustic sensors operating in lossy environments, such as water, require significant sensitivity to overcome the sound attenuation in the environment and thus see farther. We show here that a surprisingly large class of passive fluids has the ability to enhance the sound pressure propagating inside ...

[Phys. Rev. B 96, 094305] Published Mon Sep 18, 2017

Kinks and antikinks of buckled graphene: A testing ground for the ${φ}^{4}$ field model

2017-09-18T10:00:00+00:00

Author(s): R. D. Yamaletdinov, V. A. Slipko, and Y. V. Pershin

Kinks and antikinks of the classical ${φ}^{4}$ field model are topological solutions connecting its two distinct ground states. Here we establish an analogy between the excitations of a long graphene nanoribbon buckled in the transverse direction and ${φ}^{4}$ model results. Using molecular dynamics...

[Phys. Rev. B 96, 094306] Published Mon Sep 18, 2017

Dynamic simulation of structural phase transitions in magnetic iron

2017-09-18T10:00:00+00:00

Author(s): Pui-Wai Ma, S. L. Dudarev, and Jan S. Wróbel

The occurrence of bcc-fcc ($α−γ$) and fcc-bcc ($γ−δ$) phase transitions in magnetic iron stems from the interplay between magnetic excitations and lattice vibrations. However, this fact has never been confirmed by a direct dynamic simulation, treating noncollinear magnetic fluctuations and dynamics ...

[Phys. Rev. B 96, 094418] Published Mon Sep 18, 2017

Ferromagnetic transition in a one-dimensional spin-orbit-coupled metal and its mapping to a critical point in smectic liquid crystals

2017-09-18T10:00:00+00:00

We study the quantum phase transition between a paramagnetic and ferromagnetic metal in the presence of Rashba spin-orbit coupling in one dimension. Using bosonization, we analyze the transition by means of renormalization group, controlled by an $ɛ$ expansion around the upper critical dimension of ...

[Phys. Rev. B 96, 094419] Published Mon Sep 18, 2017

Superconducting gaps in FeSe studied by soft point-contact Andreev reflection spectroscopy

2017-09-18T10:00:00+00:00

Author(s): Yu. G. Naidyuk, O. E. Kvitnitskaya, N. V. Gamayunova, D. L. Bashlakov, L. V. Tyutrina, G. Fuchs, R. Hühne, D. A. Chareev, and A. N. Vasiliev

FeSe single crystals have been studied by soft point-contact Andreev reflection spectroscopy. Superconducting gap features in the differential resistance $dV/dI(V)$ of point contacts such as a characteristic Andreev reflection double-minimum structure have been measured versus temperature and magnet...

[Phys. Rev. B 96, 094517] Published Mon Sep 18, 2017

Modulation of the superconducting critical temperature due to quantum confinement at the ${\mathrm{LaAlO}}_{3}/{\mathrm{SrTiO}}_{3}$ interface

2017-09-18T10:00:00+00:00

Author(s): D. Valentinis, S. Gariglio, A. Fête, J.-M. Triscone, C. Berthod, and D. van der Marel

Superconductivity develops in bulk doped ${\mathrm{SrTiO}}_{3}$ and at the ${\mathrm{LaAlO}}_{3}$/${\mathrm{SrTiO}}_{3}$ interface with a dome-shaped density dependence of the critical temperature ${T}_{c}$, despite different dimensionalities and geometries. We propose that the ${T}_{c}$ dome of ${\... [Phys. Rev. B 96, 094518] Published Mon Sep 18, 2017 Low-energy spin dynamics and critical hole concentrations in${\mathrm{La}}_{2−x}{\mathrm{Sr}}_{x}{\mathrm{CuO}}_{4}(0.07≤x≤0.2)$revealed by$^{139}\mathrm{La}$and$^{63}\mathrm{Cu}$nuclear magnetic resonance 2017-09-18T10:00:00+00:00 Author(s): S.-H. Baek, A. Erb, and B. Büchner We report a comprehensive$^{139}\mathrm{La}$and$^{63}\mathrm{Cu}$nuclear magnetic resonance study on${\mathrm{La}}_{2−x}{\mathrm{Sr}}_{x}{\mathrm{CuO}}_{4}(0.07≤x≤0.2)$single crystals. The$^{139}\mathrm{La}$spin-lattice relaxation rate$^{139}\mathrm{T}_{1}^{−1}$is drastically influenced... [Phys. Rev. B 96, 094519] Published Mon Sep 18, 2017 Intraband and interband conductivity in systems of strongly interacting bosons 2017-09-18T10:00:00+00:00 Author(s): B. Grygiel, K. Patucha, and T. A. Zaleski Motivated by recent experimental progress on measuring various correlation functions in systems of ultracold atoms in optical lattices, we study properties of the Bose-Hubbard model in external synthetic magnetic field to describe transport phenomena in a multiband strongly interacting bosonic syste... [Phys. Rev. B 96, 094520] Published Mon Sep 18, 2017 Electronic properties, low-energy Hamiltonian, and superconducting instabilities in${\mathrm{CaKFe}}_{4}{\mathrm{As}}_{4}$2017-09-18T10:00:00+00:00 Author(s): Felix Lochner, Felix Ahn, Tilmann Hickel, and Ilya Eremin We analyze the electronic properties of the recently discovered stoichiometric superconductor${\mathrm{CaKFe}}_{4}{\mathrm{As}}_{4}$by combining an ab initio approach and a projection of the band structure to a low-energy tight-binding Hamiltonian, based on the maximally localized Wannier orbitals... [Phys. Rev. B 96, 094521] Published Mon Sep 18, 2017 Quasiparticle excitations and evidence for superconducting double transitions in monocrystalline${\mathrm{U}}_{0.97}{\mathrm{Th}}_{0.03}{\mathrm{Be}}_{13}$2017-09-18T10:00:00+00:00 Author(s): Yusei Shimizu, Shunichiro Kittaka, Shota Nakamura, Toshiro Sakakibara, Dai Aoki, Yoshiya Homma, Ai Nakamura, and Kazushige MachidaTo address the long-standing question of double phase transitions in the superconducting state of U1−xThxBe13, the authors study the quasiparticle excitations and magnetic response using a monocrystalline sample. The high-resolution heat-capacity and magnetization data demonstrate that the lower-temperature transition is between two superconducting states with different gap symmetries. Quite surprisingly, the C(T,H,ph) data strongly suggest that the superconducting gap is fully open over the Fermi surface in U0.97Th0.03Be13. The present thermodynamic results entirely overturn a widely believed idea that nodal quasiparticle excitations occur in uranium heavy-fermion superconductivity with broken time-reversal-symmetry.[Phys. Rev. B 96, 100505(R)] Published Mon Sep 18, 2017[...] Atomic defects and dopants in ternary Z-phase transition-metal nitrides$\mathbf{Cr}\mathbit{M}\mathbf{N}$with$\mathbit{M}=\mathbf{V}$, Nb, Ta investigated with density functional theory 2017-09-18T10:00:00+00:00 Author(s): Daniel F. Urban and Christian Elsässer A density functional theory study of atomic defects and dopants in ternary Z-phase transition-metal nitrides$\mathrm{Cr}M\mathrm{N}$with$M=\mathrm{V}$, Nb, or Ta is presented. Various defect formation energies of native point defects and of substitutional atoms of other metal elements which are a... [Phys. Rev. B 96, 104107] Published Mon Sep 18, 2017 Novel mechanism for order patterning in alloys driven by irradiation 2017-09-18T10:00:00+00:00 Author(s): C. R. Lear, P. Bellon, and R. S. Averback Kinetic Monte Carlo simulations have been performed to investigate the evolution of ordered domains in model alloys under irradiation. The alloys investigated were equiatomic binary alloys on a simple square lattice with first and second nearest-neighbor interactions, chosen so that a$2×2$ordered ... [Phys. Rev. B 96, 104108] Published Mon Sep 18, 2017 Universality of electronic friction: Equivalence of von Oppen's nonequilibrium Green's function approach and the Head-Gordon–Tully model at equilibrium 2017-09-18T10:00:00+00:00 Author(s): Wenjie Dou and Joseph E. Subotnik For a molecule moving near a single metal surface at equilibrium, following von Oppen and coworkers [N. Bode, S. V. Kusminskiy, R. Egger, and F. von Oppen, Beilstein J. Nanotechnol. 3, 144 (2012)] and using a nonequilibrium Green's-function (NEGF) approach, we derive a very general form of electroni... [Phys. Rev. B 96, 104305] Published Mon Sep 18, 2017 Nonequilibrium ab initio molecular dynamics determination of Ti monovacancy migration rates in$B1$TiN 2017-09-18T10:00:00+00:00 Author(s): D. Gambino, D. G. Sangiovanni, B. Alling, and I. A. Abrikosov We use the color diffusion (CD) algorithm in nonequilibrium (accelerated) ab initio molecular dynamics simulations to determine Ti monovacancy jump frequencies in NaCl-structure titanium nitride (TiN), at temperatures ranging from 2200 to 3000 K. Our results show that the CD method extended beyond t... [Phys. Rev. B 96, 104306] Published Mon Sep 18, 2017 Electron-phonon scattering rates in complex polar crystals 2017-09-18T10:00:00+00:00 Author(s): M. P. Prange, L. W. Campbell, and S. Kerisit The thermalization of fast electrons by phonons is studied in CsI, NaI,${\mathrm{SrI}}_{2}$, and${\mathrm{YAlO}}_{3}$. This numerical study uses an improvement to a recently developed method based on a density functional perturbation description of the phonon modes that provides a way to go beyond... [Phys. Rev. B 96, 104307] Published Mon Sep 18, 2017 Magnetic properties of epitaxial CoO/Fe(001) bilayers: The onset of exchange bias as a function of sublayer thickness and temperature 2017-09-18T10:00:00+00:00 Author(s): Jacek Gurgul, Ewa Młyńczak, Anna Kozioł-Rachwał, Krzysztof Matlak, Kinga Freindl, Ewa Madej, Nika Spiridis, Tomasz Ślęzak, and Józef Korecki We study the magnetic properties of epitaxial double-wedge CoO/Fe bilayers grown on MgO(001). We present a comprehensive set of data derived from the hysteresis loops measured as a function of temperature in a wide range of CoO and Fe thicknesses using Kerr microscopy imaging. We focus on relatively... [Phys. Rev. B 96, 104421] Published Mon Sep 18, 2017 Quasistatic remanence in Dzyaloshinskii-Moriya interaction driven weak ferromagnets and piezomagnets 2017-09-18T10:00:00+00:00 Author(s): Namrata Pattanayak, Arpan Bhattacharyya, A. K. Nigam, Sang-Wook Cheong, and Ashna Bajpai We explore remanent magnetization$(μ)\$ as a function of time and temperature, in a variety of rhombohedral antiferromagnets (AFMs) which are also weak ferromagnets (WFMs) and piezomagnets (PzMs). These measurements, across samples with length scales ranging from nano to bulk, firmly establish the p...

[Phys. Rev. B 96, 104422] Published Mon Sep 18, 2017