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HIGHLIGHTED ARTICLES

Direct observation of nonequivalent Fermi-arc states of opposite surfaces in the noncentrosymmetric Weyl semimetal NbP

S. Souma, Zhiwei Wang, H. Kotaka, T. Sato, K. Nakayama, Y. Tanaka, H. Kimizuka, T. Takahashi, K. Yamauchi, T. Oguchi, Kouji Segawa, and Yoichi Ando

Phys. Rev. B 93, 161112(R) (2016) - Published 20 April, 2016

Weyl semimetals (WSMs) provide a platform to realize long-sought massless Weyl fermions, which can host a variety of exotic quantum phenomena such as chiral anomalies and anomalous Hall conductivity. The most intriguing nature of WSMs is the emergence of an unconventional surface state called a Fermi arc, which is distinct from the well-known Fermi surface of ordinary metals. The authors have used angle-resolved photoemission spectroscopy on NbP and succeeded in observing the electronic states for two differently terminated surfaces of this noncentrosymmetric crystal. Corroborated by first-principles calculations, it is unambiguously demonstrated that NbP is a Weyl semimetal with reduced spin-orbit coupling, exhibiting a drastic difference in the Fermi-surface topology between the P- and Nb-terminated surfaces. Through a direct comparison of Fermi-arc surface states between the two surfaces, the momentum location of Weyl nodes has been elucidated. The present results provides a pathway for exploring new quantum phenomena utilizing Fermi-arc properties of WSMs.

Scanning Josephson spectroscopy on the atomic scale

Mallika T. Randeria, Benjamin E. Feldman, Ilya K. Drozdov, and Ali Yazdani

Phys. Rev. B 93, 161115(R) (2016) - Published 28 April, 2016

Unconventional superconductors, with order parameters that are predicted to have short range spatial modulations, have held long standing interest in the field. The Josephson effect, which directly probes the strength of the pairing potential is an ideal technique to study these materials, in contrast to a majority of probes which rely on deductions made from quasiparticle measurements. The authors combine the Josephson effect with the high spatial resolution afforded by scanning tunneling microscopy to study atomic scale variations of the order parameter in a model system consisting of magnetic adatoms on a BCS superconductor. The atomic resolution achieved establishes scanning Josephson spectroscopy as a promising tool for the study of novel superconducting materials.

Quantitative determination of bond order and lattice distortions in nickel oxide heterostructures by resonant x-ray scattering

Y. Lu, A. Frano, M. Bluschke, M. Hepting, S. Macke, J. Strempfer, P. Wochner, G. Cristiani, G. Logvenov, H.-U. Habermeier, M. W. Haverkort, B. Keimer, and E. Benckiser

Phys. Rev. B 93, 165121 (2016) - Published 15 April, 2016

Resonant x-ray scattering is used to definitively show that a pure spin density wave state is the ground state in ultrathin LaNiO3 layers sandwiched between LAAlO3 layers. This result is also shown to be in agreement with first-principles calculations.

Ohmic two-state system from the perspective of the interacting resonant level model: Thermodynamics and transient dynamics

H. T. M. Nghiem, D. M. Kennes, C. Klöckner, V. Meden, and T. A. Costi

Phys. Rev. B 93, 165130 (2016) - Published 20 April, 2016

This paper provides a detailed analysis of the thermodynamic properties of the Ohmic two-state system as well as its transient dynamics following a quantum quench. The authors also quantify the accuracy of time-dependent NRG and compare it to a variety of techniques used to study time-dependent dynamics.

Electron and chemical reservoir corrections for point-defect formation energies

Christoph Freysoldt, Björn Lange, Jörg Neugebauer, Qimin Yan, John L. Lyons, Anderson Janotti, and Chris G. Van de Walle

Phys. Rev. B 93, 165206 (2016) - Published 22 April, 2016

The formation energies of semiconductor point defects are nowadays predicted much more accurately by density functional theory than a decade ago, thanks to the use of modern hybrid functionals. The drawback is the high computational effort compared to the traditional local density approximation (LDA) or generalized gradient approximation (GGA). In this work, the authors trace back the main variations between the functionals to differences in the position of the bulk valence-band maximum, as well as in the reference energies for the chemical potential obtained with each functional. For point defects relevant for p-type GaN, these differences are accounted for by corrections, reducing the maximum disagreement between the different functionals from more than 2 eV to below 0.2 eV. The correction scheme should be useful for performing high-throughput calculations in cases where full hybrid functional calculations are prohibitively expensive.

RAPID COMMUNICATIONS

Electronic structure and strongly correlated systems

Topological nonsymmorphic ribbons out of symmorphic bulk

Augusto L. Araújo, Ernesto O. Wrasse, Gerson J. Ferreira, and Tome M. Schmidt

Phys. Rev. B 93, 161101(R) (2016) - Published 4 April, 2016

Shifted-action expansion and applicability of dressed diagrammatic schemes

Riccardo Rossi, Félix Werner, Nikolay Prokof'ev, and Boris Svistunov

Phys. Rev. B 93, 161102(R) (2016) - Published 5 April, 2016

Missing fractional quantum Hall states in ZnO

Wenchen Luo and Tapash Chakraborty

Phys. Rev. B 93, 161103(R) (2016) - Published 6 April, 2016

Green's function theory of orbital magnetic moment of interacting electrons in solids

F. Aryasetiawan, K. Karlsson, and T. Miyake

Phys. Rev. B 93, 161104(R) (2016) - Published 11 April, 2016

Weak side of strong topological insulators

Björn Sbierski, Martin Schneider, and Piet W. Brouwer

Phys. Rev. B 93, 161105(R) (2016) - Published 11 April, 2016

Spin torque and Nernst effects in Dzyaloshinskii-Moriya ferromagnets

Alexey A. Kovalev and Vladimir Zyuzin

Phys. Rev. B 93, 161106(R) (2016) - Published 11 April, 2016

Broadband terahertz spectroscopy of the insulator-metal transition driven by coherent lattice deformation at the SmNiO3/LaAlO3 interface

W. Hu, S. Catalano, M. Gibert, J.-M. Triscone, and A. Cavalleri

Phys. Rev. B 93, 161107(R) (2016) - Published 12 April, 2016

Engineering charge ordering into multiferroicity

Xu He and Kui-juan Jin

Phys. Rev. B 93, 161108(R) (2016) - Published 13 April, 2016

Direct observation of bulk second-harmonic generation inside a glass slide with tightly focused optical fields

Xianghui Wang, Shima Fardad, Susobhan Das, Alessandro Salandrino, and Rongqing Hui

Phys. Rev. B 93, 161109(R) (2016) - Published 18 April, 2016

Detecting monopole charge in Weyl semimetals via quantum interference transport

Xin Dai, Hai-Zhou Lu, Shun-Qing Shen, and Hong Yao

Phys. Rev. B 93, 161110(R) (2016) - Published 18 April, 2016

Topological polaritons in a quantum spin Hall cavity

Alexander Janot, Bernd Rosenow, and Gil Refael

Phys. Rev. B 93, 161111(R) (2016) - Published 19 April, 2016

Direct observation of nonequivalent Fermi-arc states of opposite surfaces in the noncentrosymmetric Weyl semimetal NbP

S. Souma, Zhiwei Wang, H. Kotaka, T. Sato, K. Nakayama, Y. Tanaka, H. Kimizuka, T. Takahashi, K. Yamauchi, T. Oguchi, Kouji Segawa, and Yoichi Ando

Phys. Rev. B 93, 161112(R) (2016) - Published 20 April, 2016

Weyl semimetals (WSMs) provide a platform to realize long-sought massless Weyl fermions, which can host a variety of exotic quantum phenomena such as chiral anomalies and anomalous Hall conductivity. The most intriguing nature of WSMs is the emergence of an unconventional surface state called a Fermi arc, which is distinct from the well-known Fermi surface of ordinary metals. The authors have used angle-resolved photoemission spectroscopy on NbP and succeeded in observing the electronic states for two differently terminated surfaces of this noncentrosymmetric crystal. Corroborated by first-principles calculations, it is unambiguously demonstrated that NbP is a Weyl semimetal with reduced spin-orbit coupling, exhibiting a drastic difference in the Fermi-surface topology between the P- and Nb-terminated surfaces. Through a direct comparison of Fermi-arc surface states between the two surfaces, the momentum location of Weyl nodes has been elucidated. The present results provides a pathway for exploring new quantum phenomena utilizing Fermi-arc properties of WSMs.

Electronic correlations in the ferroelectric metallic state of LiOsO3

I. Lo Vecchio, G. Giovannetti, M. Autore, P. Di Pietro, A. Perucchi, Jianfeng He, K. Yamaura, M. Capone, and S. Lupi

Phys. Rev. B 93, 161113(R) (2016) - Published 25 April, 2016

Measuring enhanced optical correlations induced by transmission open channels in a slab geometry

N. Verrier, L. Depraeter, D. Felbacq, and M. Gross

Phys. Rev. B 93, 161114(R) (2016) - Published 28 April, 2016

Scanning Josephson spectroscopy on the atomic scale

Mallika T. Randeria, Benjamin E. Feldman, Ilya K. Drozdov, and Ali Yazdani

Phys. Rev. B 93, 161115(R) (2016) - Published 28 April, 2016

Unconventional superconductors, with order parameters that are predicted to have short range spatial modulations, have held long standing interest in the field. The Josephson effect, which directly probes the strength of the pairing potential is an ideal technique to study these materials, in contrast to a majority of probes which rely on deductions made from quasiparticle measurements. The authors combine the Josephson effect with the high spatial resolution afforded by scanning tunneling microscopy to study atomic scale variations of the order parameter in a model system consisting of magnetic adatoms on a BCS superconductor. The atomic resolution achieved establishes scanning Josephson spectroscopy as a promising tool for the study of novel superconducting materials.

Active role of nonmagnetic cations in magnetic interactions for double-perovskite Sr2BOsO6(B=Y,In,Sc)

Sudipta Kanungo, Binghai Yan, Claudia Felser, and Martin Jansen

Phys. Rev. B 93, 161116(R) (2016) - Published 29 April, 2016

Wavelet-based fast time-resolved magnetic sensing with electronic spins in diamond

Nanyang Xu, Fengjian Jiang, Yu Tian, Jianfeng Ye, Fazhan Shi, Haijiang Lv, Ya Wang, Jörg Wrachtrup, and Jiangfeng Du

Phys. Rev. B 93, 161117(R) (2016) - Published 29 April, 2016

Semiconductors I: bulk

Defects in AlN as candidates for solid-state qubits

J. B. Varley, A. Janotti, and C. G. Van de Walle

Phys. Rev. B 93, 161201(R) (2016) - Published 1 April, 2016

Nuclear spin decoherence of neutral P31 donors in silicon: Effect of environmental Si29 nuclei

Evan S. Petersen, A. M. Tyryshkin, J. J. L. Morton, E. Abe, S. Tojo, K. M. Itoh, M. L. W. Thewalt, and S. A. Lyon

Phys. Rev. B 93, 161202(R) (2016) - Published 4 April, 2016

Formation of hot-electron ensembles quasiequilibrated in momentum space by ultrafast momentum scattering of highly excited hot electrons photoinjected into the Γ valley of GaAs

Hiroshi Tanimura, Jun'ichi Kanasaki, Katsumi Tanimura, Jelena Sjakste, Nathalie Vast, Matteo Calandra, and Francesco Mauri

Phys. Rev. B 93, 161203(R) (2016) - Published 6 April, 2016

Stabilizing nuclear spins around semiconductor electrons via the interplay of optical coherent population trapping and dynamic nuclear polarization

A. R. Onur, J. P. de Jong, D. O'Shea, D. Reuter, A. D. Wieck, and C. H. van der Wal

Phys. Rev. B 93, 161204(R) (2016) - Published 14 April, 2016

Broadband transient absorption study of photoexcitations in lead halide perovskites: Towards a multiband picture

Benoy Anand, Siddharth Sampat, Evgeny O. Danilov, Weina Peng, Sara M. Rupich, Yves J. Chabal, Yuri N. Gartstein, and Anton V. Malko

Phys. Rev. B 93, 161205(R) (2016) - Published 22 April, 2016

Semiconductors II: surfaces, interfaces, microstructures, and related topics

Individual Cr atom in a semiconductor quantum dot: Optical addressability and spin-strain coupling

A. Lafuente-Sampietro, H. Utsumi, H. Boukari, S. Kuroda, and L. Besombes

Phys. Rev. B 93, 161301(R) (2016) - Published 14 April, 2016

Acoustic wave absorption as a probe of dynamical geometrical response of fractional quantum Hall liquids

Kun Yang

Phys. Rev. B 93, 161302(R) (2016) - Published 15 April, 2016

Quadrupolar effects on nuclear spins of neutral arsenic donors in silicon

David P. Franke, Moritz P. D. Pflüger, Pierre-André Mortemousque, Kohei M. Itoh, and Martin S. Brandt

Phys. Rev. B 93, 161303(R) (2016) - Published 25 April, 2016

Surface physics, nanoscale physics, low-dimensional systems

Edge-state-induced Andreev oscillation in quantum anomalous Hall insulator-superconductor junctions

Biao Lian, Jing Wang, and Shou-Cheng Zhang

Phys. Rev. B 93, 161401(R) (2016) - Published 7 April, 2016

Self-assembly of nanoscale lateral segregation profiles

R. Stania, W. Heckel, I. Kalichava, C. Bernard, T. C. Kerscher, H. Y. Cun, P. R. Willmott, B. Schönfeld, J. Osterwalder, S. Müller, and T. Greber

Phys. Rev. B 93, 161402(R) (2016) - Published 7 April, 2016

Orbital-symmetry-selective spin characterization of Dirac-cone-like state on W(110)

K. Miyamoto, H. Wortelen, H. Mirhosseini, T. Okuda, A. Kimura, H. Iwasawa, K. Shimada, J. Henk, and M. Donath

Phys. Rev. B 93, 161403(R) (2016) - Published 8 April, 2016

Noncollinear exchange interaction in transition metal dichalcogenide edges

Oscar Ávalos-Ovando, Diego Mastrogiuseppe, and Sergio E. Ulloa

Phys. Rev. B 93, 161404(R) (2016) - Published 11 April, 2016

Surface plasmon-driven second-harmonic generation asymmetry in anisotropic plasmonic crystals

A. L. Chekhov, I. Razdolski, A. Kirilyuk, Th. Rasing, A. I. Stognij, and T. V. Murzina

Phys. Rev. B 93, 161405(R) (2016) - Published 11 April, 2016

On the nature of the plasmon drag effect

M. Durach and N. Noginova

Phys. Rev. B 93, 161406(R) (2016) - Published 14 April, 2016

Ultrafast depopulation of a quantum dot by LA-phonon-assisted stimulated emission

F. Liu, L. M. P. Martins, A. J. Brash, A. M. Barth, J. H. Quilter, V. M. Axt, M. S. Skolnick, and A. M. Fox

Phys. Rev. B 93, 161407(R) (2016) - Published 18 April, 2016

Two-dimensional crossover and strong coupling of plasmon excitations in arrays of one-dimensional atomic wires

T. Lichtenstein, J. Aulbach, J. Schäfer, R. Claessen, C. Tegenkamp, and H. Pfnür

Phys. Rev. B 93, 161408(R) (2016) - Published 18 April, 2016

Electronic transport and localization in nitrogen-doped graphene devices using hyperthermal ion implantation

Adam L. Friedman, Cory D. Cress, Scott W. Schmucker, Jeremy T. Robinson, and Olaf M. J. van ‘t Erve

Phys. Rev. B 93, 161409(R) (2016) - Published 21 April, 2016

Thermal-to-electrical energy conversion by diodes under negative illumination

Parthiban Santhanam and Shanhui Fan

Phys. Rev. B 93, 161410(R) (2016) - Published 25 April, 2016

Theory of third-harmonic generation in graphene: A diagrammatic approach

Habib Rostami and Marco Polini

Phys. Rev. B 93, 161411(R) (2016) - Published 25 April, 2016

Switching of antiferromagnetic chains with magnetic pulses

Kun Tao, Oleg P. Polyakov, and Valeri S. Stepanyuk

Phys. Rev. B 93, 161412(R) (2016) - Published 25 April, 2016

Single-dot absorption spectroscopy and theory of silicon nanocrystals

Ilya Sychugov, Federico Pevere, Jun-Wei Luo, Alex Zunger, and Jan Linnros

Phys. Rev. B 93, 161413(R) (2016) - Published 26 April, 2016

Nanomechanical detection of the spin Hall effect

J. A. Boales, C. T. Boone, and P. Mohanty

Phys. Rev. B 93, 161414(R) (2016) - Published 27 April, 2016

ARTICLES

Electronic structure and strongly correlated systems

Latent heat of the first-order magnetic transition of MnFeSi0.33P0.66

P. Roy, E. Brück, and R. A. de Groot

Phys. Rev. B 93, 165101 (2016) - Published 1 April, 2016

Supercell convergence of charge-transfer energies in pentacene molecular crystals from constrained DFT

David H. P. Turban, Gilberto Teobaldi, David D. O'Regan, and Nicholas D. M. Hine

Phys. Rev. B 93, 165102 (2016) - Published 1 April, 2016

Efficient implementation of the parquet equations: Role of the reducible vertex function and its kernel approximation

Gang Li, Nils Wentzell, Petra Pudleiner, Patrik Thunström, and Karsten Held

Phys. Rev. B 93, 165103 (2016) - Published 4 April, 2016

Characterization of a correlated topological Kondo insulator in one dimension

I. Hagymási and Ö. Legeza

Phys. Rev. B 93, 165104 (2016) - Published 5 April, 2016

Interpretation of monoclinic hafnia valence electron energy-loss spectra by time-dependent density functional theory

L. Hung, C. Guedj, N. Bernier, P. Blaise, V. Olevano, and F. Sottile

Phys. Rev. B 93, 165105 (2016) - Published 6 April, 2016

Self-consistent Green's function embedding for advanced electronic structure methods based on a dynamical mean-field concept

Wael Chibani, Xinguo Ren, Matthias Scheffler, and Patrick Rinke

Phys. Rev. B 93, 165106 (2016) - Published 6 April, 2016

Exploring small energy scales with x-ray absorption and dichroism

C. Praetorius, M. Zinner, P. Hansmann, M. W. Haverkort, and K. Fauth

Phys. Rev. B 93, 165107 (2016) - Published 6 April, 2016

Multiple charge density wave transitions in the antiferromagnets RNiC2 (R=Gd,Tb)

S. Shimomura, C. Hayashi, N. Hanasaki, K. Ohnuma, Y. Kobayashi, H. Nakao, M. Mizumaki, and H. Onodera

Phys. Rev. B 93, 165108 (2016) - Published 6 April, 2016

Excitonic instability of three-dimensional gapless semiconductors: Large-N theory

Lukas Janssen and Igor F. Herbut

Phys. Rev. B 93, 165109 (2016) - Published 6 April, 2016

Coulomb-enhanced superconducting pair correlations and paired-electron liquid in the frustrated quarter-filled band

Niladri Gomes, W. Wasanthi De Silva, Tirthankar Dutta, R. Torsten Clay, and S. Mazumdar

Phys. Rev. B 93, 165110 (2016) - Published 7 April, 2016

Antiferromagnetic phases of the Kondo lattice

R. Eder, K. Grube, and P. Wróbel

Phys. Rev. B 93, 165111 (2016) - Published 7 April, 2016

Electric-field-driven Mott metal-insulator transition in correlated thin films: An inhomogeneous dynamical mean-field theory approach

P. Bakalov, D. Nasr Esfahani, L. Covaci, F. M. Peeters, J. Tempere, and J.-P. Locquet

Phys. Rev. B 93, 165112 (2016) - Published 8 April, 2016

Symmetric Z2 spin liquids and their neighboring phases on triangular lattice

Yuan-Ming Lu

Phys. Rev. B 93, 165113 (2016) - Published 11 April, 2016

Universality in antiferromagnetic strange metals

Stefan A. Maier and Philipp Strack

Phys. Rev. B 93, 165114 (2016) - Published 11 April, 2016

Metallic ferromagnetism-insulating charge order transition in doped manganites

Van-Nham Phan, Quoc-Huy Ninh, and Minh-Tien Tran

Phys. Rev. B 93, 165115 (2016) - Published 14 April, 2016

Decay of bound states in the continuum of Majorana fermions induced by vacuum fluctuations: Proposal of qubit technology

L. S. Ricco, Y. Marques, F. A. Dessotti, R. S. Machado, M. de Souza, and A. C. Seridonio

Phys. Rev. B 93, 165116 (2016) - Published 14 April, 2016

Temperature-dependent Fermi surface of the misfit cobaltite [Bi2Sr2O4]0.51CoO2: A comparison with [Bi2Ba2O4]0.50CoO2

Sho-ichi Takakura, Isamu Yamamoto, Emi Koga, Fusao Ichikawa, Junpei Azuma, and Makoto Maki

Phys. Rev. B 93, 165118 (2016) - Published 14 April, 2016

Temperature-dependent determination of electron heat capacity and electron-phonon coupling factor for Fe0.72Cr0.18Ni0.1

Jan Winter, Jürgen Sotrop, Stephan Borek, Heinz P. Huber, and Jan Minár

Phys. Rev. B 93, 165119 (2016) - Published 14 April, 2016

One- and many-electron self-interaction error in local and global hybrid functionals

Tobias Schmidt and Stephan Kümmel

Phys. Rev. B 93, 165120 (2016) - Published 14 April, 2016

Quantitative determination of bond order and lattice distortions in nickel oxide heterostructures by resonant x-ray scattering

Y. Lu, A. Frano, M. Bluschke, M. Hepting, S. Macke, J. Strempfer, P. Wochner, G. Cristiani, G. Logvenov, H.-U. Habermeier, M. W. Haverkort, B. Keimer, and E. Benckiser

Phys. Rev. B 93, 165121 (2016) - Published 15 April, 2016

Resonant x-ray scattering is used to definitively show that a pure spin density wave state is the ground state in ultrathin LaNiO3 layers sandwiched between LAAlO3 layers. This result is also shown to be in agreement with first-principles calculations.

Metal-insulator transition and tunable Dirac-cone surface state in the topological insulator TlBi1xSbxTe2 studied by angle-resolved photoemission

Chi Xuan Trang, Zhiwei Wang, Keiko Yamada, Seigo Souma, Takafumi Sato, Takashi Takahashi, Kouji Segawa, and Yoichi Ando

Phys. Rev. B 93, 165123 (2016) - Published 18 April, 2016

Effect of dimensionality on sliding charge density waves: The quasi-two-dimensional TbTe3 system probed by coherent x-ray diffraction

D. Le Bolloc'h, A. A. Sinchenko, V. L. R. Jacques, L. Ortega, J. E. Lorenzo, G. A. Chahine, P. Lejay, and P. Monceau

Phys. Rev. B 93, 165124 (2016) - Published 18 April, 2016

Nonlocal homogenization for nonlinear metamaterials

Maxim A. Gorlach, Tatiana A. Voytova, Mikhail Lapine, Yuri S. Kivshar, and Pavel A. Belov

Phys. Rev. B 93, 165125 (2016) - Published 19 April, 2016

Ultrafast response of plasmalike reflectivity edge in (TMTTF)2AsF6 driven by a 7-fs 1.5-cycle strong-light field

Y. Naitoh, Y. Kawakami, T. Ishikawa, Y. Sagae, H. Itoh, K. Yamamoto, T. Sasaki, M. Dressel, S. Ishihara, Y. Tanaka, K. Yonemitsu, and S. Iwai

Phys. Rev. B 93, 165126 (2016) - Published 19 April, 2016

Chiral anomaly and ultrahigh mobility in crystalline HfTe5

Huichao Wang, Chao-Kai Li, Haiwen Liu, Jiaqiang Yan, Junfeng Wang, Jun Liu, Ziquan Lin, Yanan Li, Yong Wang, Liang Li, David Mandrus, X. C. Xie, Ji Feng, and Jian Wang

Phys. Rev. B 93, 165127 (2016) - Published 19 April, 2016

Simulation of braiding anyons using matrix product states

Babatunde M. Ayeni, Sukhwinder Singh, Robert N. C. Pfeifer, and Gavin K. Brennen

Phys. Rev. B 93, 165128 (2016) - Published 20 April, 2016

Mapping a fractional quantum Hall state to a fractional Chern insulator

Yinhan Zhang and Junren Shi

Phys. Rev. B 93, 165129 (2016) - Published 20 April, 2016

Ohmic two-state system from the perspective of the interacting resonant level model: Thermodynamics and transient dynamics

H. T. M. Nghiem, D. M. Kennes, C. Klöckner, V. Meden, and T. A. Costi

Phys. Rev. B 93, 165130 (2016) - Published 20 April, 2016

This paper provides a detailed analysis of the thermodynamic properties of the Ohmic two-state system as well as its transient dynamics following a quantum quench. The authors also quantify the accuracy of time-dependent NRG and compare it to a variety of techniques used to study time-dependent dynamics.

Terahertz conductivity of Sr1xCaxRuO3

Diana Geiger, Uwe S. Pracht, Martin Dressel, Jernej Mravlje, Melanie Schneider, Philipp Gegenwart, and Marc Scheffler

Phys. Rev. B 93, 165131 (2016) - Published 22 April, 2016

Inverse dispersion method for calculation of complex photonic band diagram and PT symmetry

Mikhail V. Rybin and Mikhail F. Limonov

Phys. Rev. B 93, 165132 (2016) - Published 22 April, 2016

Photoinduced correlated electron dynamics in a two-leg ladder Hubbard system

Hiroshi Hashimoto and Sumio Ishihara

Phys. Rev. B 93, 165133 (2016) - Published 22 April, 2016

4f excitations in Ce Kondo lattices studied by resonant inelastic x-ray scattering

A. Amorese, G. Dellea, M. Fanciulli, S. Seiro, C. Geibel, C. Krellner, I. P. Makarova, L. Braicovich, G. Ghiringhelli, D. V. Vyalikh, N. B. Brookes, and K. Kummer

Phys. Rev. B 93, 165134 (2016) - Published 25 April, 2016

SU(3) quantum critical model emerging from a spin-1 topological phase

Wen-Jia Rao, Guo-Yi Zhu, and Guang-Ming Zhang

Phys. Rev. B 93, 165135 (2016) - Published 25 April, 2016

Ground-state tuning of metal-insulator transition by compositional variations in BaIr1xRuxO3(0x1)

S. J. Yuan, K. Butrouna, J. Terzic, H. Zheng, S. Aswartham, L. E. DeLong, Feng Ye, P. Schlottmann, and G. Cao

Phys. Rev. B 93, 165136 (2016) - Published 25 April, 2016

Tunable electronic band structures and zero-energy modes of heterosubstrate-induced graphene superlattices

Xiong Fan, Wenjun Huang, Tianxing Ma, and Li-Gang Wang

Phys. Rev. B 93, 165137 (2016) - Published 25 April, 2016

Nonpercolative nature of the metal-insulator transition and persistence of local Jahn-Teller distortions in the rhombohedral regime of La1xCaxMnO3

Mouath Shatnawi, Emil S. Bozin, J. F. Mitchell, and Simon J. L. Billinge

Phys. Rev. B 93, 165138 (2016) - Published 25 April, 2016

Confinement transition to density wave order in metallic doped spin liquids

Aavishkar A. Patel, Debanjan Chowdhury, Andrea Allais, and Subir Sachdev

Phys. Rev. B 93, 165139 (2016) - Published 25 April, 2016

Probing core-electron orbitals by scanning transmission electron microscopy and measuring the delocalization of core-level excitations

Jong Seok Jeong, Michael L. Odlyzko, Peng Xu, Bharat Jalan, and K. Andre Mkhoyan

Phys. Rev. B 93, 165140 (2016) - Published 26 April, 2016

Itinerant scenario for Fe pnictides: Comparison with quantum Monte Carlo

Andrey V. Chubukov and Rui-Qi Xing

Phys. Rev. B 93, 165141 (2016) - Published 26 April, 2016

Phase diagram and entanglement of two interacting topological Kitaev chains

Loïc Herviou, Christophe Mora, and Karyn Le Hur

Phys. Rev. B 93, 165142 (2016) - Published 27 April, 2016

Role of spin fluctuations in the conductivity of CrO2

Kate H. Heffernan, Shukai Yu, Skylar Deckoff-Jones, Xueyu Zhang, Arunava Gupta, and D. Talbayev

Phys. Rev. B 93, 165143 (2016) - Published 27 April, 2016

Interlaced coarse-graining for the dynamic cluster approximation

P. Staar, M. Jiang, U. R. Hähner, T. C. Schulthess, and T. A. Maier

Phys. Rev. B 93, 165144 (2016) - Published 27 April, 2016

Design of Chern and Mott insulators in buckled 3d oxide honeycomb lattices

David Doennig, Santu Baidya, Warren E. Pickett, and Rossitza Pentcheva

Phys. Rev. B 93, 165145 (2016) - Published 28 April, 2016

Quantum Monte Carlo study of bilayer ionic Hubbard model

M. Jiang and T. C. Schulthess

Phys. Rev. B 93, 165146 (2016) - Published 28 April, 2016

Semiconductors I: bulk

Conduction mechanism of nitronyl-nitroxide molecular magnetic compounds

N. Dotti, E. Heintze, M. Slota, R. Hübner, F. Wang, J. Nuss, M. Dressel, and L. Bogani

Phys. Rev. B 93, 165201 (2016) - Published 4 April, 2016

Screened-exchange density functional theory description of the electronic structure and phase stability of the chalcopyrite materials AgInSe2 and AuInSe2

Namhoon Kim, Pamela Peña Martin, Angus A. Rockett, and Elif Ertekin

Phys. Rev. B 93, 165202 (2016) - Published 11 April, 2016

Density functional theory study of the shallow boron impurity in 3C-SiC and comparison with experimental data

T. T. Petrenko and T. L. Petrenko

Phys. Rev. B 93, 165203 (2016) - Published 12 April, 2016

First-principles analysis of the intermediate band in CuGa1xFexS2

J. Koskelo, J. Hashemi, S. Huotari, and M. Hakala

Phys. Rev. B 93, 165204 (2016) - Published 12 April, 2016

Electronic structure of layered quaternary chalcogenide materials for band-gap engineering: The example of Cs2MIIM3IVQ8

Rafael Besse, Fernando P. Sabino, and Juarez L. F. Da Silva

Phys. Rev. B 93, 165205 (2016) - Published 22 April, 2016

Electron and chemical reservoir corrections for point-defect formation energies

Christoph Freysoldt, Björn Lange, Jörg Neugebauer, Qimin Yan, John L. Lyons, Anderson Janotti, and Chris G. Van de Walle

Phys. Rev. B 93, 165206 (2016) - Published 22 April, 2016

The formation energies of semiconductor point defects are nowadays predicted much more accurately by density functional theory than a decade ago, thanks to the use of modern hybrid functionals. The drawback is the high computational effort compared to the traditional local density approximation (LDA) or generalized gradient approximation (GGA). In this work, the authors trace back the main variations between the functionals to differences in the position of the bulk valence-band maximum, as well as in the reference energies for the chemical potential obtained with each functional. For point defects relevant for p-type GaN, these differences are accounted for by corrections, reducing the maximum disagreement between the different functionals from more than 2 eV to below 0.2 eV. The correction scheme should be useful for performing high-throughput calculations in cases where full hybrid functional calculations are prohibitively expensive.

Self-compensation due to point defects in Mg-doped GaN

Giacomo Miceli and Alfredo Pasquarello

Phys. Rev. B 93, 165207 (2016) - Published 25 April, 2016

Bond orbital description of the strain-induced second-order optical susceptibility in silicon

Pedro Damas, Delphine Marris-Morini, Eric Cassan, and Laurent Vivien

Phys. Rev. B 93, 165208 (2016) - Published 26 April, 2016

Minority carrier blocking to enhance the thermoelectric figure of merit in narrow-band-gap semiconductors

Je-Hyeong Bahk and Ali Shakouri

Phys. Rev. B 93, 165209 (2016) - Published 27 April, 2016

Multiferroic crossover in perovskite oxides

L. Weston, X. Y. Cui, S. P. Ringer, and C. Stampfl

Phys. Rev. B 93, 165210 (2016) - Published 29 April, 2016

Semiconductors II: surfaces, interfaces, microstructures, and related topics

Optical spin orientation of minority holes in a modulation-doped GaAs/(Ga,Al)As quantum well

A. V. Koudinov, R. I. Dzhioev, V. L. Korenev, V. F. Sapega, and Yu. G. Kusrayev

Phys. Rev. B 93, 165301 (2016) - Published 5 April, 2016

Band gaps and built-in electric fields in InAlN/GaN short period superlattices: Comparison with (InAlGa)N quaternary alloys

I. Gorczyca, T. Suski, N. E. Christensen, and A. Svane

Phys. Rev. B 93, 165302 (2016) - Published 6 April, 2016

Thermal dissociation of free and acceptor-bound positive trions from magnetophotoluminescence studies of high quality GaAs/AlxGa1xAs quantum wells

L. Bryja, J. Jadczak, K. Ryczko, M. Kubisa, J. Misiewicz, A. Wójs, F. Liu, D. R. Yakovlev, M. Bayer, C. A. Nicoll, I. Farrer, and D. A. Ritchie

Phys. Rev. B 93, 165303 (2016) - Published 6 April, 2016

Electronic structure of (1e,1h) states of carbon nanotube quantum dots

E. N. Osika and B. Szafran

Phys. Rev. B 93, 165304 (2016) - Published 11 April, 2016

Optical control of nonlinearly dressed states in an individual quantum dot

P.-L. Ardelt, M. Koller, T. Simmet, L. Hanschke, A. Bechtold, A. Regler, J. Wierzbowski, H. Riedl, J. J. Finley, and K. Müller

Phys. Rev. B 93, 165305 (2016) - Published 11 April, 2016

Vanishing electron g factor and long-lived nuclear spin polarization in weakly strained nanohole-filled GaAs/AlGaAs quantum dots

A. Ulhaq, Q. Duan, E. Zallo, F. Ding, O. G. Schmidt, A. I. Tartakovskii, M. S. Skolnick, and E. A. Chekhovich

Phys. Rev. B 93, 165306 (2016) - Published 14 April, 2016

Datta-and-Das spin transistor controlled by a high-frequency electromagnetic field

A. S. Sheremet, O. V. Kibis, A. V. Kavokin, and I. A. Shelykh

Phys. Rev. B 93, 165307 (2016) - Published 28 April, 2016

Surface physics, nanoscale physics, low-dimensional systems

Tunable topological states in electron-doped HTT-Pt

Xiaoming Zhang, Zhenhai Wang, Mingwen Zhao, and Feng Liu

Phys. Rev. B 93, 165401 (2016) - Published 1 April, 2016

Mobility anisotropy in monolayer black phosphorus due to scattering by charged impurities

Yue Liu, Tony Low, and P. Paul Ruden

Phys. Rev. B 93, 165402 (2016) - Published 1 April, 2016

Intertwined lattice deformation and magnetism in monovacancy graphene

Haricharan Padmanabhan and B. R. K. Nanda

Phys. Rev. B 93, 165403 (2016) - Published 4 April, 2016

Nanowire-based thermoelectric ratchet in the hopping regime

Riccardo Bosisio, Geneviève Fleury, Jean-Louis Pichard, and Cosimo Gorini

Phys. Rev. B 93, 165404 (2016) - Published 4 April, 2016

Revisiting super-Planckian thermal emission in the far-field regime

S.-A. Biehs and P. Ben-Abdallah

Phys. Rev. B 93, 165405 (2016) - Published 4 April, 2016

Electronic pair binding and Hund's rule violations in doped C60

Hong-Chen Jiang and Steven Kivelson

Phys. Rev. B 93, 165406 (2016) - Published 5 April, 2016

Localized plasmons in bilayer graphene nanodisks

Weihua Wang, Sanshui Xiao, and N. Asger Mortensen

Phys. Rev. B 93, 165407 (2016) - Published 6 April, 2016

Temperature- and potential-dependent structure of the mercury-electrolyte interface

Benjamin Runge, Sven Festersen, Christian T. Koops, Annika Elsen, Moshe Deutsch, Benjamin M. Ocko, Oliver H. Seeck, Bridget M. Murphy, and Olaf M. Magnussen

Phys. Rev. B 93, 165408 (2016) - Published 7 April, 2016

Sputtering-induced reemergence of the topological surface state in Bi2Se3

Raquel Queiroz, Gabriel Landolt, Stefan Muff, Bartosz Slomski, Thorsten Schmitt, Vladimir N. Strocov, Jianli Mi, Bo Brummerstedt Iversen, Philip Hofmann, Jürg Osterwalder, Andreas P. Schnyder, and J. Hugo Dil

Phys. Rev. B 93, 165409 (2016) - Published 8 April, 2016

Energy levels of hybrid monolayer-bilayer graphene quantum dots

M. Mirzakhani, M. Zarenia, S. A. Ketabi, D. R. da Costa, and F. M. Peeters

Phys. Rev. B 93, 165410 (2016) - Published 8 April, 2016

Permeability and kinetic coefficients for mesoscale BCF surface step dynamics: Discrete two-dimensional deposition-diffusion equation analysis

Renjie Zhao, James W. Evans, and Tiago J. Oliveira

Phys. Rev. B 93, 165411 (2016) - Published 8 April, 2016

Magnetoexcitons in large area CVD-grown monolayer MoS2 and MoSe2 on sapphire

A. A. Mitioglu, K. Galkowski, A. Surrente, L. Klopotowski, D. Dumcenco, A. Kis, D. K. Maude, and P. Plochocka

Phys. Rev. B 93, 165412 (2016) - Published 11 April, 2016

First-principles cluster expansion study of functionalization of black phosphorene via fluorination and oxidation

Suhas Nahas, Barun Ghosh, Somnath Bhowmick, and Amit Agarwal

Phys. Rev. B 93, 165413 (2016) - Published 12 April, 2016

Spin-thermoelectric transport induced by interactions and spin-flip processes in two-dimensional topological insulators

Flavio Ronetti, Luca Vannucci, Giacomo Dolcetto, Matteo Carrega, and Maura Sassetti

Phys. Rev. B 93, 165414 (2016) - Published 12 April, 2016

Influence of atomic tip structure on the intensity of inelastic tunneling spectroscopy data analyzed by combined scanning tunneling spectroscopy, force microscopy, and density functional theory

Norio Okabayashi, Alexander Gustafsson, Angelo Peronio, Magnus Paulsson, Toyoko Arai, and Franz J. Giessibl

Phys. Rev. B 93, 165415 (2016) - Published 13 April, 2016

Ultrafast switching of surface plasmonic conditions in nonplasmonic metals

E. Bévillon, J. P. Colombier, V. Recoules, H. Zhang, C. Li, and R. Stoian

Phys. Rev. B 93, 165416 (2016) - Published 14 April, 2016

Describing the dispersion of plasmonic nanorod arrays via coupling of elementary excitations

Fabio Vaianella and Bjorn Maes

Phys. Rev. B 93, 165417 (2016) - Published 15 April, 2016

Topological phases of inhomogeneous superconductivity

Silas Hoffman, Jelena Klinovaja, and Daniel Loss

Phys. Rev. B 93, 165418 (2016) - Published 15 April, 2016

Effects of molecule-insulator interaction on geometric property of a single phthalocyanine molecule adsorbed on an ultrathin NaCl film

Kuniyuki Miwa, Hiroshi Imada, Shota Kawahara, and Yousoo Kim

Phys. Rev. B 93, 165419 (2016) - Published 18 April, 2016

Positive magnetoconductivity of Weyl semimetals in the ultraquantum limit

Chui-Zhen Chen, Haiwen Liu, Hua Jiang, and X. C. Xie

Phys. Rev. B 93, 165420 (2016) - Published 18 April, 2016

Light-hole exciton mixing and dynamics in Mn-doped quantum dots

V. Moldoveanu, I. V. Dinu, R. Dragomir, and B. Tanatar

Phys. Rev. B 93, 165421 (2016) - Published 18 April, 2016

Single-layer MoS2 on Au(111): Band gap renormalization and substrate interaction

Albert Bruix, Jill A. Miwa, Nadine Hauptmann, Daniel Wegner, Søren Ulstrup, Signe S. Grønborg, Charlotte E. Sanders, Maciej Dendzik, Antonija Grubišić Čabo, Marco Bianchi, Jeppe V. Lauritsen, Alexander A. Khajetoorians, Bjørk Hammer, and Philip Hofmann

Phys. Rev. B 93, 165422 (2016) - Published 18 April, 2016

Topological and dynamical properties of a generalized cluster model in one dimension

Takumi Ohta, Shu Tanaka, Ippei Danshita, and Keisuke Totsuka

Phys. Rev. B 93, 165423 (2016) - Published 18 April, 2016

All-electrical production of spin-polarized currents in carbon nanotubes: Rashba spin-orbit interaction

Hernán Santos, A. Latgé, J. E. Alvarellos, and Leonor Chico

Phys. Rev. B 93, 165424 (2016) - Published 18 April, 2016

Inelastic electron scattering off a quantum dot in the cotunneling regime: The signature of mesoscopic Stoner instability

E. V. Repin and I. S. Burmistrov

Phys. Rev. B 93, 165425 (2016) - Published 18 April, 2016

Optical transition energies of isolated molecular monomers and weakly interacting two-dimensional aggregates

Roman Forker, Thomas Dienel, Andreas Krause, Marco Gruenewald, Matthias Meissner, Tino Kirchhuebel, Oliver Gröning, and Torsten Fritz

Phys. Rev. B 93, 165426 (2016) - Published 19 April, 2016

Universal nonequilibrium states at the fractional quantum Hall edge

Ivan P. Levkivskyi

Phys. Rev. B 93, 165427 (2016) - Published 20 April, 2016

Full counting statistics of a nonadiabatic electron pump

Alexander Croy and Ulf Saalmann

Phys. Rev. B 93, 165428 (2016) - Published 20 April, 2016

Graphene electrodynamics in the presence of the extrinsic spin Hall effect

Chunli Huang, Y. D. Chong, Giovanni Vignale, and Miguel A. Cazalilla

Phys. Rev. B 93, 165429 (2016) - Published 22 April, 2016

Tomonaga-Luttinger liquid theory for metallic fullurene polymers

Hideo Yoshioka, Hiroyuki Shima, Yusuke Noda, Shota Ono, and Kaoru Ohno

Phys. Rev. B 93, 165431 (2016) - Published 25 April, 2016

Coulomb and quenching effects in small nanoparticle-based spasers

Vitaliy N. Pustovit, Augustine M. Urbas, Arkadi V. Chipouline, and Tigran V. Shahbazyan

Phys. Rev. B 93, 165432 (2016) - Published 25 April, 2016

Frequency-dependent polarizability, plasmons, and screening in the two-dimensional pseudospin-1 dice lattice

J. D. Malcolm and E. J. Nicol

Phys. Rev. B 93, 165433 (2016) - Published 25 April, 2016

Thermomechanical analysis of two-dimensional boron monolayers

Thierry Tsafack and Boris I. Yakobson

Phys. Rev. B 93, 165434 (2016) - Published 25 April, 2016

Detecting weak coupling in mesoscopic systems with a nonequilibrium Fano resonance

S. Xiao, Y. Yoon, Y.-H. Lee, J. P. Bird, Y. Ochiai, N. Aoki, J. L. Reno, and J. Fransson

Phys. Rev. B 93, 165435 (2016) - Published 25 April, 2016

Layer response theory: Energetics of layered materials from semianalytic high-level theory

John F. Dobson, Tim Gould, and Sébastien Lebègue

Phys. Rev. B 93, 165436 (2016) - Published 25 April, 2016

Band-gap engineering by Bi intercalation of graphene on Ir(111)

Jonas Warmuth, Albert Bruix, Matteo Michiardi, Torben Hänke, Marco Bianchi, Jens Wiebe, Roland Wiesendanger, Bjørk Hammer, Philip Hofmann, and Alexander A. Khajetoorians

Phys. Rev. B 93, 165437 (2016) - Published 27 April, 2016

Resistively detected high-order magnetoplasmons in a high-quality two-dimensional electron gas

Q. Shi, M. A. Zudov, L. N. Pfeiffer, K. W. West, J. D. Watson, and M. J. Manfra

Phys. Rev. B 93, 165438 (2016) - Published 28 April, 2016

Self-consistent theory of nanodomain formation on nonpolar surfaces of ferroelectrics

Anna N. Morozovska, Anton V. Ievlev, Vyacheslav V. Obukhovskii, Yevhen Fomichov, Oleksandr V. Varenyk, Vladimir Ya. Shur, Sergei V. Kalinin, and Eugene A. Eliseev

Phys. Rev. B 93, 165439 (2016) - Published 28 April, 2016

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