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EDITORIALS AND ANNOUNCEMENTS

Editorial: Materials Research in the Physical Review Journals

Chris Leighton, Laurens W. Molenkamp, Eli Ben-Naim, and Stephen Forrest

Phys. Rev. B 96, 070001 (2017) - Published 23 August, 2017

HIGHLIGHTED ARTICLES

Quantum oscillations in the anomalous spin density wave state of FeAs

Daniel J. Campbell, Chris Eckberg, Kefeng Wang, Limin Wang, Halyna Hodovanets, Dave Graf, David Parker, and Johnpierre Paglione

Phys. Rev. B 96, 075120 (2017) - Published 10 August, 2017

The authors succeeded in growing high-quality crystals of binary FeAs, a spin density wave antiferromagnet with similarities to two families of unconventional superconductors. Quantum oscillations were measured in magnetic torque at high fields, making it possible to compare experimental electronic structure to prior density functional theory calculations. The two agree on the multicarrier nature of FeAs in the magnetic state, but diverge in some aspects of the Fermi-surface geometry. The theoretical results have so far been unable to describe the magnetic structure, and the presented experimental data now indicate that that could be due to an incorrect Fermi surface picture. Oscillations analysis also shows enhanced effective masses compared to theory, indicating that electron correlations may have previously been underappreciated in this material.

Duality and universal transport in mixed-dimension electrodynamics

Wei-Han Hsiao and Dam Thanh Son

Phys. Rev. B 96, 075127 (2017) - Published 14 August, 2017

Using the recently conjectured fermion particle-vortex duality, the authors demonstrate that the theory of a single (2+1)-dimensional Dirac fermion coupled to an Abelian gauge field in a (3+1)-dimensional bulk exhibits a strong-weak duality. The duality is a manifestation of the electromagnetic S-duality in the bulk. At the self-dual point, they find several exact relations between transport coefficients, such as conductivity, Hall conductivity, and thermoelectric coefficients. Consequently, the duality provides new constraints on the physics of a strongly interacting system.

Emergent particle-hole symmetry in spinful bosonic quantum Hall systems

S. D. Geraedts, C. Repellin, Chong Wang, Roger S. K. Mong, T. Senthil, and N. Regnault

Phys. Rev. B 96, 075148 (2017) - Published 23 August, 2017

Recently, a reevaluation of particle-hole symmetry in fermionic quantum Hall systems has led to a wealth of new insights about quantum Hall phases and connections between quantum Hall physics and other topological phases as well as high-energy physics. Similar progress may be possible in the bosonic case if such a symmetry exists, unlike the fermionic case such a symmetry is not exact. Here, the authors provide the first evidence for the existence of an emergent bosonic particle-hole symmetry.

Length scale of puddle formation in compensation-doped semiconductors and topological insulators

Thomas Bömerich, Jonathan Lux, Qingyufei Terenz Feng, and Achim Rosch

Phys. Rev. B 96, 075204 (2017) - Published 17 August, 2017

In most semiconductors and insulators the presence of a small density of charged impurities cannot be avoided, but their effect can be reduced by introducing defects of opposite charge. Screening in such a system leads to the formation of electron-hole puddles, which dominate bulk transport, as first recognized by Efros and Shklovskii. This paper investigates the typical length scale, which determines the distance between puddles and the suppression of puddle formation close to metallic surface states. The authors find that this length scale is much smaller than previously anticipated, with profound consequences for the sample quality of thin films of topological insulators.

Ab initio study of the BaTiO3/Ge interface

Mehmet Dogan and Sohrab Ismail-Beigi

Phys. Rev. B 96, 075301 (2017) - Published 1 August, 2017

Growing thin films of ferroelectric oxides in direct contact with semiconductors is a key research goal due to its technological promise. This work presents a comprehensive theoretical study of ultrathin films of BaTiO3 on Ge. For the experimentally stable interface stoichiometry, there are two distinct interfacial configurations with differing out-of-plane electrical polarizations. The two configurations can be made energetically degenerate by choosing an appropriate top electrode, thus enabling, in principle, an epitaxial ferroelectric thin film oxide. Surprisingly, in the intrinsic limit for Ge, switching the oxide polarization state modulates the band alignments to such a degree that the dominant charge carrier switches between electrons and holes.

Zeeman and spin-orbit effects in the Andreev spectra of nanowire junctions

B. van Heck, J. I. Väyrynen, and L. I. Glazman

Phys. Rev. B 96, 075404 (2017) - Published 4 August, 2017

Microwave spectroscopy of a Josephson junction is a useful tool to directly measure the properties of Andreev bound states. Recently, this method has been successfully applied to junctions defined in proximitized InAs/Al nanowires whose realization is aimed at the study and use of Majorana zero modes. In these nanowires, Andreev bound states are sensitive to the interplay of spin-orbit coupling and applied magnetic field. Our theory investigates the evolution of the Andreev levels and of the associated microwave spectrum upon application and increase of magnetic field. The authors find that a drastic change in the spectrum occurs once the magnetic field is strong enough to affect the ground-state parity, which can happen before the topological transition. Besides explaining existing experimental data, the presented theory provides guidance for future experiments, involving the spectroscopic observation of the effects associated with Majorana zero modes.

Density functional perturbation theory for gated two-dimensional heterostructures: Theoretical developments and application to flexural phonons in graphene

Thibault Sohier, Matteo Calandra, and Francesco Mauri

Phys. Rev. B 96, 075448 (2017) - Published 31 August, 2017

In the search for exciting new physics and the design of next-generation devices, gated two-dimensional heterostructures are becoming omnipresent. As the fabrication and characterization techniques in this field improve, first-principles methods must follow suit. The authors present here an implementation of density functional perturbation theory, tailored to simulate the electronic and vibrational properties of two-dimensional heterostructures in the field-effect configuration. They apply the method to gated graphene and show that while the field effect activates the coupling between electrons and flexural phonons, this coupling is strongly screened by the electrons of doped graphene.

ARTICLES

Electronic structure and strongly correlated systems

Manipulation of type-I and type-II Dirac points in PdTe2 superconductor by external pressure

R. C. Xiao, P. L. Gong, Q. S. Wu, W. J. Lu, M. J. Wei, J. Y. Li, H. Y. Lv, X. Luo, P. Tong, X. B. Zhu, and Y. P. Sun

Phys. Rev. B 96, 075101 (2017) - Published 1 August, 2017

Low-energy effective Hamiltonians for correlated electron systems beyond density functional theory

Motoaki Hirayama, Takashi Miyake, Masatoshi Imada, and Silke Biermann

Phys. Rev. B 96, 075102 (2017) - Published 1 August, 2017

Thermal and electrical transport in metals and superconductors across antiferromagnetic and topological quantum transitions

Shubhayu Chatterjee, Subir Sachdev, and Andreas Eberlein

Phys. Rev. B 96, 075103 (2017) - Published 2 August, 2017

High-density carriers at a strongly coupled interface between graphene and a three-dimensional topological insulator

A. Zalic, T. Dvir, and H. Steinberg

Phys. Rev. B 96, 075104 (2017) - Published 2 August, 2017

Detecting spin fractionalization in a spinon Fermi surface spin liquid

Yao-Dong Li and Gang Chen

Phys. Rev. B 96, 075105 (2017) - Published 2 August, 2017

Terahertz-pulse driven modulation of electronic spectra: Modeling electron-phonon coupling in charge-transfer crystals

Francesco Di Maiolo, Matteo Masino, and Anna Painelli

Phys. Rev. B 96, 075106 (2017) - Published 7 August, 2017

Origin of bias-independent conductance plateaus and zero-bias conductance peaks in Bi2Se3/NbSe2 hybrid structures

Hui Li, Tong Zhou, Jun He, Huan-Wen Wang, Huachen Zhang, Hong-Chao Liu, Ya Yi, Changming Wu, Kam Tuen Law, Hongtao He, and Jiannong Wang

Phys. Rev. B 96, 075107 (2017) - Published 7 August, 2017

Momentum-dependent susceptibilities and magnetic exchange in bcc iron from supercell dynamical mean-field theory calculations

A. S. Belozerov, A. A. Katanin, and V. I. Anisimov

Phys. Rev. B 96, 075108 (2017) - Published 7 August, 2017

Origin of the thermal expansion anomaly in layered Bi2X3 topological insulators: Ultrafast time-resolved pump-probe experiments and theory

Gyan Prakash, Koushik Pal, Manish Jain, U. V. Waghmare, and A. K. Sood

Phys. Rev. B 96, 075109 (2017) - Published 7 August, 2017

Hourglass semimetals with nonsymmorphic symmetries in three dimensions

Luyang Wang, Shao-Kai Jian, and Hong Yao

Phys. Rev. B 96, 075110 (2017) - Published 7 August, 2017

Analytical study of mode degeneracy in non-Hermitian photonic crystals with TM-like polarization

Xuefan Yin, Yong Liang, Liangfu Ni, Zhixin Wang, Chao Peng, and Zhengbin Li

Phys. Rev. B 96, 075111 (2017) - Published 7 August, 2017

Strain-induced quantum topological phase transitions in Na3Bi

Dexi Shao, Jiawei Ruan, Juefei Wu, Tong Chen, Zhaopeng Guo, Haijun Zhang, Jian Sun, Li Sheng, and Dingyu Xing

Phys. Rev. B 96, 075112 (2017) - Published 8 August, 2017

Nanomechanical dissipation at a tip-induced Kondo onset

Pier Paolo Baruselli, Michele Fabrizio, and Erio Tosatti

Phys. Rev. B 96, 075113 (2017) - Published 8 August, 2017

Molecular polarizability of water from local dielectric response theory

Xiaochuan Ge and Deyu Lu

Phys. Rev. B 96, 075114 (2017) - Published 8 August, 2017

Theory of quantum oscillations of magnetization in Kondo insulators

Panch Ram and Brijesh Kumar

Phys. Rev. B 96, 075115 (2017) - Published 9 August, 2017

Global phase diagram and quantum spin liquids in a spin-12 triangular antiferromagnet

Shou-Shu Gong, W. Zhu, J.-X. Zhu, D. N. Sheng, and Kun Yang

Phys. Rev. B 96, 075116 (2017) - Published 9 August, 2017

Detection and characterization of symmetry-broken long-range orders in the spin-12 triangular Heisenberg model

S. N. Saadatmand and I. P. McCulloch

Phys. Rev. B 96, 075117 (2017) - Published 9 August, 2017

Electronic structure and thermoelectric transport of black phosphorus

L. Craco, T. A. da Silva Pereira, and S. Leoni

Phys. Rev. B 96, 075118 (2017) - Published 9 August, 2017

Optical signature of Weyl electronic structures in tantalum pnictides TaPn (Pn= P, As)

Shin-ichi Kimura, Hiroko Yokoyama, Hiroshi Watanabe, Jörg Sichelschmidt, Vicky Süß, Marcus Schmidt, and Claudia Felser

Phys. Rev. B 96, 075119 (2017) - Published 10 August, 2017

Quantum oscillations in the anomalous spin density wave state of FeAs

Daniel J. Campbell, Chris Eckberg, Kefeng Wang, Limin Wang, Halyna Hodovanets, Dave Graf, David Parker, and Johnpierre Paglione

Phys. Rev. B 96, 075120 (2017) - Published 10 August, 2017

The authors succeeded in growing high-quality crystals of binary FeAs, a spin density wave antiferromagnet with similarities to two families of unconventional superconductors. Quantum oscillations were measured in magnetic torque at high fields, making it possible to compare experimental electronic structure to prior density functional theory calculations. The two agree on the multicarrier nature of FeAs in the magnetic state, but diverge in some aspects of the Fermi-surface geometry. The theoretical results have so far been unable to describe the magnetic structure, and the presented experimental data now indicate that that could be due to an incorrect Fermi surface picture. Oscillations analysis also shows enhanced effective masses compared to theory, indicating that electron correlations may have previously been underappreciated in this material.

Electronic origin of the spin-phonon coupling effect in transition-metal perovskites

Hongwei Wang, Lixin He, Hong Jiang, Cameron Steele, and Xifan Wu

Phys. Rev. B 96, 075121 (2017) - Published 11 August, 2017

Dynamic structure function of some singular Fermi liquids

Chandra M. Varma

Phys. Rev. B 96, 075122 (2017) - Published 11 August, 2017

Photogalvanic effect in Weyl semimetals

E. J. König, H.-Y. Xie, D. A. Pesin, and A. Levchenko

Phys. Rev. B 96, 075123 (2017) - Published 11 August, 2017

Topological Kondo insulators in one dimension: Continuous Haldane-type ground-state evolution from the strongly interacting to the noninteracting limit

Franco T. Lisandrini, Alejandro M. Lobos, Ariel O. Dobry, and Claudio J. Gazza

Phys. Rev. B 96, 075124 (2017) - Published 14 August, 2017

Topological field theory and matrix product states

Anton Kapustin, Alex Turzillo, and Minyoung You

Phys. Rev. B 96, 075125 (2017) - Published 14 August, 2017

Light-induced valley polarization in interacting and nonlinear Weyl semimetals

Simon Bertrand, Ion Garate, and René Côté

Phys. Rev. B 96, 075126 (2017) - Published 14 August, 2017

Duality and universal transport in mixed-dimension electrodynamics

Wei-Han Hsiao and Dam Thanh Son

Phys. Rev. B 96, 075127 (2017) - Published 14 August, 2017

Using the recently conjectured fermion particle-vortex duality, the authors demonstrate that the theory of a single (2+1)-dimensional Dirac fermion coupled to an Abelian gauge field in a (3+1)-dimensional bulk exhibits a strong-weak duality. The duality is a manifestation of the electromagnetic S-duality in the bulk. At the self-dual point, they find several exact relations between transport coefficients, such as conductivity, Hall conductivity, and thermoelectric coefficients. Consequently, the duality provides new constraints on the physics of a strongly interacting system.

Ultrafast structural dynamics of VO2

Sergiy Lysenko, Nardeep Kumar, Armando Rúa, José Figueroa, Junqiang Lu, and Félix Fernández

Phys. Rev. B 96, 075128 (2017) - Published 14 August, 2017

Topological charge-density and spin-density waves in InAs/GaSb quantum wells under an in-plane magnetic field

Lun-Hui Hu, Chih-Chieh Chen, Chao-Xing Liu, Fu-Chun Zhang, and Yi Zhou

Phys. Rev. B 96, 075130 (2017) - Published 15 August, 2017

Coulomb interaction driven instabilities of sliding Luttinger liquids

Shouvik Sur and Kun Yang

Phys. Rev. B 96, 075131 (2017) - Published 15 August, 2017

Origin of the turn-on phenomenon in TdMoTe2

Q. L. Pei, W. J. Meng, X. Luo, H. Y. Lv, F. C. Chen, W. J. Lu, Y. Y. Han, P. Tong, W. H. Song, Y. B. Hou, Q. Y. Lu, and Y. P. Sun

Phys. Rev. B 96, 075132 (2017) - Published 15 August, 2017

Doped carbon nanotubes as a model system of biased graphene

P. Szirmai, B. G. Márkus, B. Dóra, G. Fábián, J. Koltai, V. Zólyomi, J. Kürti, B. Náfrádi, L. Forró, T. Pichler, and F. Simon

Phys. Rev. B 96, 075133 (2017) - Published 15 August, 2017

Spectral functions of a time-periodically driven Falicov-Kimball model: Real-space Floquet dynamical mean-field theory study

Tao Qin and Walter Hofstetter

Phys. Rev. B 96, 075134 (2017) - Published 16 August, 2017

Quantum dissipation with conditional wave functions: Application to the realistic simulation of nanoscale electron devices

E. Colomés, Z. Zhan, D. Marian, and X. Oriols

Phys. Rev. B 96, 075135 (2017) - Published 16 August, 2017

Pressure-induced spin-state transition of iron in magnesiowüstite (Fe,Mg)O

I. Leonov, A. V. Ponomareva, R. Nazarov, and I. A. Abrikosov

Phys. Rev. B 96, 075136 (2017) - Published 17 August, 2017

Pseudogap and Fermi surface in the presence of a spin-vortex checkerboard for 1/8-doped lanthanum cuprates

Pavel E. Dolgirev and Boris V. Fine

Phys. Rev. B 96, 075137 (2017) - Published 17 August, 2017

Quasi-two-dimensional Fermi surfaces with localized f electrons in the layered heavy-fermion compound CePt2In7

K. Götze, Y. Krupko, J. A. N. Bruin, J. Klotz, R. D. H. Hinlopen, S. Ota, Y. Hirose, H. Harima, R. Settai, A. McCollam, and I. Sheikin

Phys. Rev. B 96, 075138 (2017) - Published 18 August, 2017

Orbital and spin ordering physics of the Mn3O4 spinel

Santanu Pal and Siddhartha Lal

Phys. Rev. B 96, 075139 (2017) - Published 18 August, 2017

Challenges for semilocal density functionals with asymptotically nonvanishing potentials

Thilo Aschebrock, Rickard Armiento, and Stephan Kümmel

Phys. Rev. B 96, 075140 (2017) - Published 21 August, 2017

Semimetallic and charge-ordered α(BEDT-TTF)2I3: On the role of disorder in dc transport and dielectric properties

Tomislav Ivek, Matija Čulo, Marko Kuveždić, Eduard Tutiš, Mario Basletić, Branimir Mihaljević, Emil Tafra, Silvia Tomić, Anja Löhle, Martin Dressel, Dieter Schweitzer, and Bojana Korin-Hamzić

Phys. Rev. B 96, 075141 (2017) - Published 21 August, 2017

Exact wave packet dynamics of singlet fission in unsubstituted and substituted polyene chains within long-range interacting models

Suryoday Prodhan and S. Ramasesha

Phys. Rev. B 96, 075142 (2017) - Published 21 August, 2017

Analytical recursive method to ascertain multisite entanglement in doped quantum spin ladders

Sudipto Singha Roy, Himadri Shekhar Dhar, Debraj Rakshit, Aditi Sen(De), and Ujjwal Sen

Phys. Rev. B 96, 075143 (2017) - Published 22 August, 2017

Charge and energy fractionalization mechanism in one-dimensional channels

Matteo Acciai, Alessio Calzona, Giacomo Dolcetto, Thomas L. Schmidt, and Maura Sassetti

Phys. Rev. B 96, 075144 (2017) - Published 22 August, 2017

General procedure for the calculation of accurate defect excitation energies from DFT-1/2 band structures: The case of the NV center in diamond

Bruno Lucatto, Lucy V. C. Assali, Ronaldo Rodrigues Pela, Marcelo Marques, and Lara K. Teles

Phys. Rev. B 96, 075145 (2017) - Published 23 August, 2017

Many-body localization in spin chain systems with quasiperiodic fields

Mac Lee, Thomas R. Look, S. P. Lim, and D. N. Sheng

Phys. Rev. B 96, 075146 (2017) - Published 23 August, 2017

Electronic orders and phase transitions in a honeycomb Kondo lattice system

Ye Liu and Qiang-Hua Wang

Phys. Rev. B 96, 075147 (2017) - Published 23 August, 2017

Emergent particle-hole symmetry in spinful bosonic quantum Hall systems

S. D. Geraedts, C. Repellin, Chong Wang, Roger S. K. Mong, T. Senthil, and N. Regnault

Phys. Rev. B 96, 075148 (2017) - Published 23 August, 2017

Recently, a reevaluation of particle-hole symmetry in fermionic quantum Hall systems has led to a wealth of new insights about quantum Hall phases and connections between quantum Hall physics and other topological phases as well as high-energy physics. Similar progress may be possible in the bosonic case if such a symmetry exists, unlike the fermionic case such a symmetry is not exact. Here, the authors provide the first evidence for the existence of an emergent bosonic particle-hole symmetry.

Exact ordering of energy levels for one-dimensional interacting Fermi gases with SU(N) symmetry

Lei Pan, Yanxia Liu, Haiping Hu, Yunbo Zhang, and Shu Chen

Phys. Rev. B 96, 075149 (2017) - Published 23 August, 2017

Hydrodynamic charge and heat transport on inhomogeneous curved spaces

Vincenzo Scopelliti, Koenraad Schalm, and Andrew Lucas

Phys. Rev. B 96, 075150 (2017) - Published 24 August, 2017

Optical investigation of the strong spin-orbit-coupled magnetic semimetal YbMnBi2

Dipanjan Chaudhuri, Bing Cheng, Alexander Yaresko, Quinn D. Gibson, R. J. Cava, and N. P. Armitage

Phys. Rev. B 96, 075151 (2017) - Published 24 August, 2017

Electron delocalization and relaxation behavior in Cu-doped Bi2Se3 films

Mingze Li, Zhenhua Wang, Liang Yang, Da Li, Q. R. Yao, G. H. Rao, Xuan P. A. Gao, and Zhidong Zhang

Phys. Rev. B 96, 075152 (2017) - Published 24 August, 2017

Entanglement entropy and boundary renormalization group flow: Exact results in the Ising universality class

Eyal Cornfeld and Eran Sela

Phys. Rev. B 96, 075153 (2017) - Published 24 August, 2017

Infrared spectroscopic study of CaFe0.7Co0.3O3

C. X. Zhang, H. L. Xia, Y. M. Dai, Z. Y. Qiu, Q. T. Sui, Y. W. Long, and X. G. Qiu

Phys. Rev. B 96, 075154 (2017) - Published 24 August, 2017

Conservation in two-particle self-consistent extensions of dynamical mean-field theory

Friedrich Krien, Erik G. C. P. van Loon, Hartmut Hafermann, Junya Otsuki, Mikhail I. Katsnelson, and Alexander I. Lichtenstein

Phys. Rev. B 96, 075155 (2017) - Published 24 August, 2017

Numerical results on the short-range spin correlation functions in the ground state of the two-dimensional Hubbard model

Mingpu Qin, Hao Shi, and Shiwei Zhang

Phys. Rev. B 96, 075156 (2017) - Published 25 August, 2017

SU(4) Kondo entanglement in double quantum dot devices

Rodrigo Bonazzola, J. A. Andrade, Jorge I. Facio, D. J. García, and Pablo S. Cornaglia

Phys. Rev. B 96, 075157 (2017) - Published 28 August, 2017

Optimal diabatic dynamics of Majorana-based quantum gates

Armin Rahmani, Babak Seradjeh, and Marcel Franz

Phys. Rev. B 96, 075158 (2017) - Published 28 August, 2017

Origin of the extremely large magnetoresistance in the semimetal YSb

J. Xu, N. J. Ghimire, J. S. Jiang, Z. L. Xiao, A. S. Botana, Y. L. Wang, Y. Hao, J. E. Pearson, and W. K. Kwok

Phys. Rev. B 96, 075159 (2017) - Published 29 August, 2017

Electron spin dynamics of Ce3+ ions in YAG crystals studied by pulse-EPR and pump-probe Faraday rotation

D. V. Azamat, V. V. Belykh, D. R. Yakovlev, F. Fobbe, D. H. Feng, E. Evers, L. Jastrabik, A. Dejneka, and M. Bayer

Phys. Rev. B 96, 075160 (2017) - Published 30 August, 2017

Andreev bound states versus Majorana bound states in quantum dot-nanowire-superconductor hybrid structures: Trivial versus topological zero-bias conductance peaks

Chun-Xiao Liu, Jay D. Sau, Tudor D. Stanescu, and S. Das Sarma

Phys. Rev. B 96, 075161 (2017) - Published 30 August, 2017

Anisotropic exchange and spin-wave damping in pure and electron-doped Sr2IrO4

D. Pincini, J. G. Vale, C. Donnerer, A. de la Torre, E. C. Hunter, R. Perry, M. Moretti Sala, F. Baumberger, and D. F. McMorrow

Phys. Rev. B 96, 075162 (2017) - Published 31 August, 2017

Quasi-two-dimensional Fermi surface topography of the delafossite PdRhO2

F. Arnold, M. Naumann, S. Khim, H. Rosner, V. Sunko, F. Mazzola, P. D. C. King, A. P. Mackenzie, and E. Hassinger

Phys. Rev. B 96, 075163 (2017) - Published 31 August, 2017

Semiconductors I: bulk

Boosting the power factor with resonant states: A model study

S. Thébaud, Ch. Adessi, S. Pailhès, and G. Bouzerar

Phys. Rev. B 96, 075201 (2017) - Published 1 August, 2017

Phonon properties of copper oxide phases from first principles

Marcel Giar, Markus Heinemann, and Christian Heiliger

Phys. Rev. B 96, 075202 (2017) - Published 3 August, 2017

Generalized Elliott-Yafet spin-relaxation time for arbitrary spin mixing

Svenja Vollmar, David J. Hilton, and Hans Christian Schneider

Phys. Rev. B 96, 075203 (2017) - Published 16 August, 2017

Length scale of puddle formation in compensation-doped semiconductors and topological insulators

Thomas Bömerich, Jonathan Lux, Qingyufei Terenz Feng, and Achim Rosch

Phys. Rev. B 96, 075204 (2017) - Published 17 August, 2017

In most semiconductors and insulators the presence of a small density of charged impurities cannot be avoided, but their effect can be reduced by introducing defects of opposite charge. Screening in such a system leads to the formation of electron-hole puddles, which dominate bulk transport, as first recognized by Efros and Shklovskii. This paper investigates the typical length scale, which determines the distance between puddles and the suppression of puddle formation close to metallic surface states. The authors find that this length scale is much smaller than previously anticipated, with profound consequences for the sample quality of thin films of topological insulators.

Strain broadening of the 1042-nm zero phonon line of the NV center in diamond: A promising spectroscopic tool for defect tomography

T. B. Biktagirov, A. N. Smirnov, V. Yu. Davydov, M. W. Doherty, A. Alkauskas, B. C. Gibson, and V. A. Soltamov

Phys. Rev. B 96, 075205 (2017) - Published 18 August, 2017

Orbital-dependent quasiparticle scattering interference in 3RNbS2

T. Machida, Y. Kohsaka, K. Iwaya, R. Arita, T. Hanaguri, R. Suzuki, M. Ochi, and Y. Iwasa

Phys. Rev. B 96, 075206 (2017) - Published 21 August, 2017

Observation of the symmetry of core states of a single Fe impurity in GaAs

J. Bocquel, V. R. Kortan, R. P. Campion, B. L. Gallagher, M. E. Flatté, and P. M. Koenraad

Phys. Rev. B 96, 075207 (2017) - Published 23 August, 2017

Single-photon superradiant decay of cyclotron resonance in a p-type single-crystal semiconductor film with cubic structure

A. G. Moiseev and Ya. S. Greenberg

Phys. Rev. B 96, 075208 (2017) - Published 28 August, 2017

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

Ab initio study of the BaTiO3/Ge interface

Mehmet Dogan and Sohrab Ismail-Beigi

Phys. Rev. B 96, 075301 (2017) - Published 1 August, 2017

Growing thin films of ferroelectric oxides in direct contact with semiconductors is a key research goal due to its technological promise. This work presents a comprehensive theoretical study of ultrathin films of BaTiO3 on Ge. For the experimentally stable interface stoichiometry, there are two distinct interfacial configurations with differing out-of-plane electrical polarizations. The two configurations can be made energetically degenerate by choosing an appropriate top electrode, thus enabling, in principle, an epitaxial ferroelectric thin film oxide. Surprisingly, in the intrinsic limit for Ge, switching the oxide polarization state modulates the band alignments to such a degree that the dominant charge carrier switches between electrons and holes.

Intrinsic spin Hall conductivity in three-dimensional topological insulator/normal insulator heterostructures

V. N. Men'shov, I. A. Shvets, V. V. Tugushev, and E. V. Chulkov

Phys. Rev. B 96, 075302 (2017) - Published 1 August, 2017

Modal phase matching in nanostructured zinc-blende semiconductors for second-order nonlinear optical interactions

Eleonora De Luca, Reza Sanatinia, Mounir Mensi, Srinivasan Anand, and Marcin Swillo

Phys. Rev. B 96, 075303 (2017) - Published 7 August, 2017

Subatomic electronic feature from dynamic motion of Si dimer defects in Bi nanolines on Si(001)

C. J. Kirkham, M. Longobardi, S. A. Köster, Ch. Renner, and D. R. Bowler

Phys. Rev. B 96, 075304 (2017) - Published 7 August, 2017

Chiral Maxwell demon in a quantum Hall system with a localized impurity

Guillem Rosselló, Rosa López, and Gloria Platero

Phys. Rev. B 96, 075305 (2017) - Published 14 August, 2017

Damping of Rabi oscillations in intensity-dependent photon echoes from exciton complexes in a CdTe/(Cd,Mg)Te single quantum well

S. V. Poltavtsev, M. Reichelt, I. A. Akimov, G. Karczewski, M. Wiater, T. Wojtowicz, D. R. Yakovlev, T. Meier, and M. Bayer

Phys. Rev. B 96, 075306 (2017) - Published 18 August, 2017

Spin polarization and exchange-correlation effects in transport properties of two-dimensional electron systems in silicon

V. T. Dolgopolov, A. A. Shashkin, and S. V. Kravchenko

Phys. Rev. B 96, 075307 (2017) - Published 18 August, 2017

Optical study on intrinsic exciton states in high-quality CH3NH3PbBr3 single crystals

T. Thu Ha Do, A. Granados del Águila, Chao Cui, Jun Xing, Zhijun Ning, and Qihua Xiong

Phys. Rev. B 96, 075308 (2017) - Published 24 August, 2017

Dynamics of the optical spin Hall effect

Daniel Schmidt, Bernd Berger, Manfred Bayer, Christian Schneider, Martin Kamp, Sven Höfling, Evgeny Sedov, Alexey Kavokin, and Marc Aßmann

Phys. Rev. B 96, 075309 (2017) - Published 24 August, 2017

Modified spin relaxation mechanism by tunable coupling between interfacial two-dimensional electron gases in correlated oxide heterostructures

M. Huijben, G. W. J. Hassink, M. P. Stehno, Z. L. Liao, G. Rijnders, A. Brinkman, and G. Koster

Phys. Rev. B 96, 075310 (2017) - Published 25 August, 2017

Lattice relaxation and energy band modulation in twisted bilayer graphene

Nguyen N. T. Nam and Mikito Koshino

Phys. Rev. B 96, 075311 (2017) - Published 28 August, 2017

Surface physics, nanoscale physics, low-dimensional systems

Room-temperature half-metallicity in monolayer honeycomb structures of group-V binary compounds with carrier doping

Yaozhuang Nie, Mavlanjan Rahman, Pei Liu, Aihemaitijiang Sidike, Qinglin Xia, and Guang-hua Guo

Phys. Rev. B 96, 075401 (2017) - Published 1 August, 2017

Anomalous Hall effect and magnetic orderings in nanothick V5S8

Jingjing Niu, Baoming Yan, Qingqing Ji, Zhongfan Liu, Mingqiang Li, Peng Gao, Yanfeng Zhang, Dapeng Yu, and Xiaosong Wu

Phys. Rev. B 96, 075402 (2017) - Published 2 August, 2017

Suppressing phonon transport in nanowires: A simple model for phonon–surface-roughness interaction

K. A. Muttalib and S. Abhinav

Phys. Rev. B 96, 075403 (2017) - Published 3 August, 2017

Zeeman and spin-orbit effects in the Andreev spectra of nanowire junctions

B. van Heck, J. I. Väyrynen, and L. I. Glazman

Phys. Rev. B 96, 075404 (2017) - Published 4 August, 2017

Microwave spectroscopy of a Josephson junction is a useful tool to directly measure the properties of Andreev bound states. Recently, this method has been successfully applied to junctions defined in proximitized InAs/Al nanowires whose realization is aimed at the study and use of Majorana zero modes. In these nanowires, Andreev bound states are sensitive to the interplay of spin-orbit coupling and applied magnetic field. Our theory investigates the evolution of the Andreev levels and of the associated microwave spectrum upon application and increase of magnetic field. The authors find that a drastic change in the spectrum occurs once the magnetic field is strong enough to affect the ground-state parity, which can happen before the topological transition. Besides explaining existing experimental data, the presented theory provides guidance for future experiments, involving the spectroscopic observation of the effects associated with Majorana zero modes.

Prolonging entanglement dynamics near periodic plasmonic nanostructures

Nikos Iliopoulos, Andreas F. Terzis, Vassilios Yannopapas, and Emmanuel Paspalakis

Phys. Rev. B 96, 075405 (2017) - Published 4 August, 2017

Edge transport in InAs and InAs/GaSb quantum wells

Susanne Mueller, Christopher Mittag, Thomas Tschirky, Christophe Charpentier, Werner Wegscheider, Klaus Ensslin, and Thomas Ihn

Phys. Rev. B 96, 075406 (2017) - Published 4 August, 2017

Fluctuation-induced forces in the presence of mobile carrier drift

Boris Shapiro

Phys. Rev. B 96, 075407 (2017) - Published 7 August, 2017

Polarization-resolved second harmonic generation microscopy of chiral G-shaped metamaterials

Evgeniy A. Mamonov, Anton I. Maydykovskiy, Irina A. Kolmychek, Sergey A. Magnitskiy, and Tatiana V. Murzina

Phys. Rev. B 96, 075408 (2017) - Published 7 August, 2017

Graphene superlattices in strong circularly polarized fields: Chirality, Berry phase, and attosecond dynamics

Hamed Koochaki Kelardeh, Vadym Apalkov, and Mark I. Stockman

Phys. Rev. B 96, 075409 (2017) - Published 7 August, 2017

Fano-shaped impurity spectral density, electric-field-induced in-gap state, and local magnetic moment of an adatom on trilayer graphene

Zu-Quan Zhang, Shuai Li, Jing-Tao Lü, and Jin-Hua Gao

Phys. Rev. B 96, 075410 (2017) - Published 8 August, 2017

Strong anisotropic optical conductivity in two-dimensional puckered structures: The role of the Rashba effect

S. Saberi-Pouya, T. Vazifehshenas, T. Salavati-fard, M. Farmanbar, and F. M. Peeters

Phys. Rev. B 96, 075411 (2017) - Published 8 August, 2017

First-principles investigation of transient spin transfer torque in magnetic multilayer systems

Zhizhou Yu, Lei Zhang, and Jian Wang

Phys. Rev. B 96, 075412 (2017) - Published 9 August, 2017

Tunable narrow-band near-field thermal emitters based on resonant metamaterials

Jiayu Li, Baoan Liu, and Sheng Shen

Phys. Rev. B 96, 075413 (2017) - Published 10 August, 2017

Determination of the adsorption geometry of PTCDA on the Cu(100) surface

Simon Weiß, Ina Krieger, Timo Heepenstrick, Serguei Soubatch, Moritz Sokolowski, and F. Stefan Tautz

Phys. Rev. B 96, 075414 (2017) - Published 10 August, 2017

Giant enhancement of the transverse magneto-optical Kerr effect through the coupling of ɛ-near-zero and surface plasmon polariton modes

J. A. Girón-Sedas, F. Reyes Gómez, Pablo Albella, J. R. Mejía-Salazar, and Osvaldo N. Oliveira, Jr.

Phys. Rev. B 96, 075415 (2017) - Published 11 August, 2017

Microscopic mechanism of the tunable band gap in potassium-doped few-layer black phosphorus

Sun-Woo Kim, Hyun Jung, Hyun-Jung Kim, Jin-Ho Choi, Su-Huai Wei, and Jun-Hyung Cho

Phys. Rev. B 96, 075416 (2017) - Published 14 August, 2017

Short-time dynamics of molecular junctions after projective measurement

Gaomin Tang, Yanxia Xing, and Jian Wang

Phys. Rev. B 96, 075417 (2017) - Published 14 August, 2017

Atomic force microscopy contrast with CO functionalized tips in hydrogen-bonded molecular layers: Does the real tip charge distribution play a role?

Michael Ellner, Pablo Pou, and Rubén Pérez

Phys. Rev. B 96, 075418 (2017) - Published 14 August, 2017

Suppression of the Landau-Zener transition probability by weak classical noise

Rajesh K. Malla, E. G. Mishchenko, and M. E. Raikh

Phys. Rev. B 96, 075419 (2017) - Published 15 August, 2017

Quantitative relationship between polarization differences and the zone-averaged shift photocurrent

Benjamin M. Fregoso, Takahiro Morimoto, and Joel E. Moore

Phys. Rev. B 96, 075421 (2017) - Published 16 August, 2017

Electrically induced charge-density waves in a two-dimensional electron liquid: Effects of negative electronic compressibility

Erica E. Hroblak, Alessandro Principi, Hui Zhao, and Giovanni Vignale

Phys. Rev. B 96, 075422 (2017) - Published 17 August, 2017

Spaser quenching by off-resonant plasmon modes

L. S. Petrosyan and T. V. Shahbazyan

Phys. Rev. B 96, 075423 (2017) - Published 17 August, 2017

Electronic correlation effects on the neutralization of Ga+ scattered by a gold surface

M. S. Tacca, F. Bonetto, and E. C. Goldberg

Phys. Rev. B 96, 075424 (2017) - Published 17 August, 2017

Electron trajectories and magnetotransport in nanopatterned graphene under commensurability conditions

Stephen R. Power, Morten Rishøj Thomsen, Antti-Pekka Jauho, and Thomas Garm Pedersen

Phys. Rev. B 96, 075425 (2017) - Published 18 August, 2017

Interface defect-assisted phonon scattering of hot carriers in graphene

Sergey G. Menabde, Hyunwoo Cho, and Namkyoo Park

Phys. Rev. B 96, 075426 (2017) - Published 18 August, 2017

Germanene and stanene on two-dimensional substrates: Dirac cone and Z2 invariant

Zeyuan Ni, Emi Minamitani, Yasunobu Ando, and Satoshi Watanabe

Phys. Rev. B 96, 075427 (2017) - Published 21 August, 2017

Theoretical study of the charge transfer and electron emission in the scattering of He+ by an AlF3 surface

A. Iglesias-García, C. González, and E. C. Goldberg

Phys. Rev. B 96, 075428 (2017) - Published 21 August, 2017

Defect mode in the bulk plasmon-polariton gap for giant enhancement of second harmonic generation

F. Reyes Gómez, J. R. Mejía-Salazar, Osvaldo N. Oliveira, Jr., and N. Porras-Montenegro

Phys. Rev. B 96, 075429 (2017) - Published 21 August, 2017

Two-photon interference from two blinking quantum emitters

Klaus D. Jöns, Katarina Stensson, Marcus Reindl, Marcin Swillo, Yongheng Huo, Val Zwiller, Armando Rastelli, Rinaldo Trotta, and Gunnar Björk

Phys. Rev. B 96, 075430 (2017) - Published 21 August, 2017

Diffusion quantum Monte Carlo study of excitonic complexes in two-dimensional transition-metal dichalcogenides

E. Mostaani, M. Szyniszewski, C. H. Price, R. Maezono, M. Danovich, R. J. Hunt, N. D. Drummond, and V. I. Fal'ko

Phys. Rev. B 96, 075431 (2017) - Published 22 August, 2017

Efficient anomalous reflection through near-field interactions in metasurfaces

H. Chalabi, Y. Ra'di, D. L. Sounas, and A. Alù

Phys. Rev. B 96, 075432 (2017) - Published 22 August, 2017

Ab initio study of the electron energy loss function in a graphene-sapphire-graphene composite system

Vito Despoja, Tijana Djordjević, Lazar Karbunar, Ivan Radović, and Zoran L. Mišković

Phys. Rev. B 96, 075433 (2017) - Published 23 August, 2017

Cooling of chiral heat transport in the quantum Hall effect regime of graphene

Sergey Slizovskiy and Vladimir Fal'ko

Phys. Rev. B 96, 075434 (2017) - Published 28 August, 2017

Manifestation of a Fermi edge singularity in the cotunneling regime

Artem Borin and Eugene Sukhorukov

Phys. Rev. B 96, 075435 (2017) - Published 28 August, 2017

Plasmon canalization and tunneling over anisotropic metasurfaces

Diego Correas-Serrano, Andrea Alù, and J. Sebastian Gomez-Diaz

Phys. Rev. B 96, 075436 (2017) - Published 28 August, 2017

Vibronic coupling and band gap trends in CuGeO3 nanorods

Kenneth R. O'Neal, Amal al-Wahish, Zhaoqian Li, Peng Chen, Jae Wook Kim, Sang-Wook Cheong, Guy Dhalenne, Alexandre Revcolevschi, Xue-Tai Chen, and Janice L. Musfeldt

Phys. Rev. B 96, 075437 (2017) - Published 28 August, 2017

Line nodes, Dirac points, and Lifshitz transition in two-dimensional nonsymmorphic photonic crystals

Jun Yu Lin, Nai Chao Hu, You Jian Chen, Ching Hua Lee, and Xiao Zhang

Phys. Rev. B 96, 075438 (2017) - Published 28 August, 2017

Dissipative transport of thermalized electrons through a nanodevice

M. Wołoszyn and B. J. Spisak

Phys. Rev. B 96, 075440 (2017) - Published 29 August, 2017

Effective mobility for sequential carrier transport in multiple quantum well structures

Kasidit Toprasertpong, Stephen M. Goodnick, Yoshiaki Nakano, and Masakazu Sugiyama

Phys. Rev. B 96, 075441 (2017) - Published 29 August, 2017

Magnetic field driven ambipolar quantum Hall effect in epitaxial graphene close to the charge neutrality point

A. Nachawaty, M. Yang, W. Desrat, S. Nanot, B. Jabakhanji, D. Kazazis, R. Yakimova, A. Cresti, W. Escoffier, and B. Jouault

Phys. Rev. B 96, 075442 (2017) - Published 30 August, 2017

Pure dephasing of single Mn spin in semiconductor quantum dots

Dingyang Liu, Wenxi Lai, and Wen Yang

Phys. Rev. B 96, 075443 (2017) - Published 30 August, 2017

Interaction of Stark-shifted image potential states with quantum well states in ultrathin Ag(111) islands on Si(111)-3×3B substrates

Kishu Sugawara, Kentaro Nagase, Shiro Yamazaki, Kan Nakatsuji, and Hiroyuki Hirayama

Phys. Rev. B 96, 075444 (2017) - Published 30 August, 2017

Magnetic states of linear defects in graphene monolayers: Effects of strain and interaction

Simone S. Alexandre and R. W. Nunes

Phys. Rev. B 96, 075445 (2017) - Published 31 August, 2017

Double quantum dot memristor

Ying Li, Gregory W. Holloway, Simon C. Benjamin, G. Andrew D. Briggs, Jonathan Baugh, and Jan A. Mol

Phys. Rev. B 96, 075446 (2017) - Published 31 August, 2017

Quantum capacitance of double-layer graphene

Fariborz Parhizgar, Alireza Qaiumzadeh, and Reza Asgari

Phys. Rev. B 96, 075447 (2017) - Published 31 August, 2017

Density functional perturbation theory for gated two-dimensional heterostructures: Theoretical developments and application to flexural phonons in graphene

Thibault Sohier, Matteo Calandra, and Francesco Mauri

Phys. Rev. B 96, 075448 (2017) - Published 31 August, 2017

In the search for exciting new physics and the design of next-generation devices, gated two-dimensional heterostructures are becoming omnipresent. As the fabrication and characterization techniques in this field improve, first-principles methods must follow suit. The authors present here an implementation of density functional perturbation theory, tailored to simulate the electronic and vibrational properties of two-dimensional heterostructures in the field-effect configuration. They apply the method to gated graphene and show that while the field effect activates the coupling between electrons and flexural phonons, this coupling is strongly screened by the electrons of doped graphene.

ERRATA

Publisher's Note: Competing magnetic instabilities in the weak itinerant antiferromagnetic TiAu [Phys. Rev. B 95, 205124 (2017)]

Wen Fong Goh and Warren E. Pickett

Phys. Rev. B 96, 079901 (2017) - Published 3 August, 2017

Publisher's Note: Properties at the interface of graphene and Ti2C MXene [Phys. Rev. B 96, 035435 (2017)]

Pallabi Paul, Poulami Chakraborty, Tilak Das, Dhani Nafday, and Tanusri Saha-Dasgupta

Phys. Rev. B 96, 079903 (2017) - Published 4 August, 2017

Publisher's Note: Role of hydrogen in the electronic properties of CaFeAsH-based superconductors [Phys. Rev. B 93, 195148 (2016)]

Y. N. Huang, D. Y. Liu, L. J. Zou, and W. E. Pickett

Phys. Rev. B 96, 079904 (2017) - Published 10 August, 2017

Erratum: Electronic and optical properties of two-dimensional InSe from a DFT-parametrized tight-binding model [Phys. Rev. B 94, 245431 (2016)]

S. J. Magorrian, V. Zólyomi, and V. I. Fal'ko

Phys. Rev. B 96, 079905 (2017) - Published 10 August, 2017

Erratum: Band offsets between ZnGeN2, GaN, ZnO, and ZnSnN2 and their potential impact for solar cells [Phys. Rev. B 88, 075302 (2013)]

Atchara P. Jaroenjittichai, Sai Lyu, and Walter R. L. Lambrecht

Phys. Rev. B 96, 079907 (2017) - Published 17 August, 2017

Publisher's Note: Quantum oscillations in the anomalous spin density wave state of FeAs [Phys. Rev. B 96, 075120 (2017)]

Daniel J. Campbell, Chris Eckberg, Kefeng Wang, Limin Wang, Halyna Hodovanets, Dave Graf, David Parker, and Johnpierre Paglione

Phys. Rev. B 96, 079908 (2017) - Published 28 August, 2017

Erratum: Tuning ferromagnetic BaFe2(PO4)2 through a high Chern number topological phase [Phys. Rev. B 94, 125134 (2016)]

Young-Joon Song, Kyo-Hoon Ahn, Warren E. Pickett, and Kwan-Woo Lee

Phys. Rev. B 96, 079909 (2017) - Published 29 August, 2017

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