Browse Issues:

HIGHLIGHTED ARTICLES

Impact of strain on the electronic properties of InAs/GaSb quantum well systems

L. Tiemann, S. Mueller, Q.-S. Wu, T. Tschirky, K. Ensslin, W. Wegscheider, M. Troyer, A. A. Soluyanov, and T. Ihn

Phys. Rev. B 95, 115108 (2017) - Published 6 March, 2017

Topological phenomena in two-dimensional materials are characterized by an electrical conductivity that is restricted to the edges of a sample. A heterostructure of the semiconductors indium arsenide and gallium antimonide, InAs/GaSb, can be a quantum spin Hall insulator (QSHI), which exhibits spin-resolved channels at the edges but has an insulating bulk. The QSHI is linked to a nontrivial inverted band structure that emerges only for certain thicknesses of the InAs and GaSb layers. Here, the authors have exposed InAs/GaSb samples to variable compressive and tensile strain through piezo-electric elements. It is observed that the system’s electrical properties are very susceptible to even small values of such mechanical deformation. Band structure calculations reveal the impact of strain on the nontrivial electronic band structure and highlight the potential of strain-engineering for the observation of the quantum spin Hall insulating phase in this material system.

Spin-orbit coupling and strong electronic correlations in cyclic molecules

A. L. Khosla, A. C. Jacko, J. Merino, and B. J. Powell

Phys. Rev. B 95, 115109 (2017) - Published 6 March, 2017

Here, the authors show that in molecules there is an emergent spin molecular-orbital coupling (SMOC) that is not merely inherited from the atomic scale. This causes the spin of electrons to become entangled with currents running around the molecule. Molecules that are symmetric only under rotation by 2π/N, provide a striking example. For odd N there is a ladder of orbital states and SMOC allows the system to climb up or down the ladder, much like spin-orbit coupling in atoms. However, for even N there is a ring of states – SMOC can move the system around in either directions, without ever reaching a minimum or maximum. This is a consequence of the umklapp spin-orbit scattering present in even-N molecules that is precluded in odd-N molecules by time-reversal symmetry. The authors show that SMOC is large in organometallic complexes and explore how synthetic chemistry can be used to control SMOC. Such control has numerous potential applications.

Spin-entanglement between two freely propagating electrons: Experiment and theory

D. Vasilyev, F. O. Schumann, F. Giebels, H. Gollisch, J. Kirschner, and R. Feder

Phys. Rev. B 95, 115134 (2017) - Published 17 March, 2017

Here, the authors make connection to the foundation of quantum mechanics. As stated by Schrödinger, entanglement is “the characteristic trait of quantum mechanics” and seemingly at odds with the description of nature. In this joint experimental and theoretical work, the authors discuss the possibility of spin entanglement of two freely propagating electrons. These have been created by a collision of a spin-polarized primary electron with the Shockley surface state of the Cu(111) surface. The contribution of this state can clearly be identified in the experiment and allows use of its particular features. The electron scattering study done here resembles the scenario envisioned by the seminal works of Einstein-Podolsky-Rosen and Schrödinger to work out the peculiar nature of entanglement.

Subdimensional particle structure of higher rank U(1) spin liquids

Michael Pretko

Phys. Rev. B 95, 115139 (2017) - Published 22 March, 2017

Quantum spin liquids can be well described in the language of gauge theory. While most theoretical effort has been focused on gauge theories with a familiar vector gauge field, there exists a stable class of quantum spin liquids described by higher-rank tensor gauge fields. Here, the authors focus on a class of stable three-dimensional spin liquids described by symmetric tensor U(1) gauge fields. They find that these spin liquids feature an exotic class of excitations that are restricted to motion along lower-dimensional subspaces, a phenomenon seen earlier in fracton models. They show how this subdimensional behavior follows naturally from a set of higher-moment charge conservation laws that place severe restrictions on particle motion. This work opens up an exciting new direction in the field of spin liquids.

Sachdev-Ye-Kitaev model and thermalization on the boundary of many-body localized fermionic symmetry-protected topological states

Yi-Zhuang You, Andreas W. W. Ludwig, and Cenke Xu

Phys. Rev. B 95, 115150 (2017) - Published 28 March, 2017

The Sachdev-Ye-Kitaev (SYK) model is a quantum mechanical model for randomly interaction fermions in a quantum dot. This paper studies the properties of the many-body spectrum of the SYK model and finds a periodicity of the spectral properties in term of the number of fermion modes in the quantum dot. In particular, the level statistics of SYK spectrum are investigated. It is found that the many-body level spacing of the SYK model follows Wigner-Dyson statistics, consistent with the thermalizing nature of the SYK model. Interestingly, the level statistics goes through those of different random matrix ensembles periodically. The periodicity can be explained by viewing the SYK model as an effective model for the boundary of 1D interacting fermionic symmetry-protected topological states. The periodicity in the SYK spectrum is therefore tied to the classification of fermionic topological states in one dimension.

Superconducting and ferromagnetic phase diagram of UCoGe probed by thermal expansion

A. M. Nikitin, J. J. Geldhof, Y. K. Huang, D. Aoki, and A. de Visser

Phys. Rev. B 95, 115151 (2017) - Published 28 March, 2017

The superconducting ferromagnet UCoGe is a versatile laboratory tool to investigate the interplay of ferromagnetism (Tc = 3.0 K) and superconductivity (Tsc = 0.6 K). Here, the authors report the superconducting and magnetic phase diagram in the field-temperature plane determined by thermal expansion measurements. The use of the thermal expansion technique has the advantage that it involves a thermodynamic bulk probe. The experiments were carried out on a single crystal in fixed magnetic fields applied along the principal axes of the orthorhombic crystal. Since the phase diagram depends sensitively on the orientation of the magnetic field with respect to the crystal axes, the thermal expansion cell was mounted on a piezoelectric rotator to enable in situ tuning of the magnetic field angle. The authors observe that the Curie point for B || b shifts gradually to lower temperatures and present bulk-sensitive evidence for the unusual S-shaped Bc2 curve for the same field orientation. The results lend further support to theoretical proposals of spin-fluctuation mediated enhancement of superconductivity in a magnetic field (B || b).

Quantum mechanics in an evolving Hilbert space

Emilio Artacho and David D. O'Regan

Phys. Rev. B 95, 115155 (2017) - Published 31 March, 2017

Quantum mechanics nominally works in a space of infinite dimensions. In practice, however, the computer-based solution of quantum-mechanical problems relies on a restriction of that space to a high but finite number of dimensions. This is important since computational quantum-mechanical simulations have a huge presence in today’s physical science. In many instances, the finite-dimensional space needs to evolve during a simulation. In this work, the authors extend the formalism used for finite spaces to that of evolving spaces. Here, well-known equations acquire a new meaning in the language of the curved spaces familiar to general relativity. The authors provide a novel geometric approach to calculating tensorially well-defined derivatives of quantum-mechanical state and operator representations with respect to arbitrary external parameters. Contributions due to basis function evolution play the role of the Christoffel symbol terms of Riemannian geometry. The curvature of the resulting geometry is equivalent to Berry’s curvature, but generalized for possibly nonorthogonal, smoothly varying basis functions. This work provides insights into dynamical quantum simulations that enable the development of improved simulation algorithms. It also opens up new scientific horizons, as is ever the case when establishing formal links between different subfields of physics.

Unraveling the spin structure of unoccupied states in Bi2Se3

Christian Datzer, Anna Zumbülte, Jürgen Braun, Tobias Förster, Anke B. Schmidt, Jianli Mi, Bo Iversen, Philip Hofmann, Jan Minár, Hubert Ebert, Peter Krüger, Michael Rohlfing, and Markus Donath

Phys. Rev. B 95, 115401 (2017) - Published 1 March, 2017

In topological insulators (TIs), spin-orbit coupling leads to the emergence of metallic topological surface states crossing the fundamental band gap. They exhibit a Dirac-cone-like dispersion with a helical spin structure. Bi2Se3(111) is the most prominent prototypical TI featuring a simple band structure with a single Dirac cone close to the Fermi level around the center of the surface Brillouin zone. Due to the interesting spin structure, TIs have emerged as promising materials in the field of spintronics and optospintronics. Ultrafast light pulses might pave a way to control spin currents. In this context, a profound knowledge about the dispersion and the spin polarization of both the occupied and the unoccupied electronic states is required. The authors present a joint experimental and theoretical study on the unoccupied electronic states of the topological insulator Bi2Se3. They discuss spin- and angle-resolved inverse photoemission results in comparison with calculations for both the intrinsic band structure and, within the one-step model of (inverse) photoemission, the expected spectral intensities. This allows them to unravel the intrinsic spin texture of the unoccupied bands at the surface of Bi2Se3.

ARTICLES

Electronic structure and strongly correlated systems

Unified trend of superconducting transition temperature versus Hall coefficient for ultrathin FeSe films prepared on different oxide substrates

Junichi Shiogai, Tomoki Miyakawa, Yukihiro Ito, Tsutomu Nojima, and Atsushi Tsukazaki

Phys. Rev. B 95, 115101 (2017) - Published 1 March, 2017

Photon-modulated impurity scattering on a topological insulator surface

Ming-Xun Deng, W. Y. Deng, D. X. Shao, Rui-Qiang Wang, R. Shen, L. Sheng, and D. Y. Xing

Phys. Rev. B 95, 115102 (2017) - Published 1 March, 2017

Topological angular momentum and radiative heat transport in closed orbits

Mário G. Silveirinha

Phys. Rev. B 95, 115103 (2017) - Published 1 March, 2017

Disordered double Weyl node: Comparison of transport and density of states calculations

Björn Sbierski, Maximilian Trescher, Emil J. Bergholtz, and Piet W. Brouwer

Phys. Rev. B 95, 115104 (2017) - Published 1 March, 2017

Spectral properties and phase diagram of correlated lattice bosons in an optical cavity within bosonic dynamical mean-field theory

Jaromir Panas, Anna Kauch, and Krzysztof Byczuk

Phys. Rev. B 95, 115105 (2017) - Published 2 March, 2017

Unveiling the internal entanglement structure of the Kondo singlet

Chun Yang and Adrian E. Feiguin

Phys. Rev. B 95, 115106 (2017) - Published 6 March, 2017

Ab initio dynamical vertex approximation

Anna Galler, Patrik Thunström, Patrik Gunacker, Jan M. Tomczak, and Karsten Held

Phys. Rev. B 95, 115107 (2017) - Published 6 March, 2017

Impact of strain on the electronic properties of InAs/GaSb quantum well systems

L. Tiemann, S. Mueller, Q.-S. Wu, T. Tschirky, K. Ensslin, W. Wegscheider, M. Troyer, A. A. Soluyanov, and T. Ihn

Phys. Rev. B 95, 115108 (2017) - Published 6 March, 2017

Topological phenomena in two-dimensional materials are characterized by an electrical conductivity that is restricted to the edges of a sample. A heterostructure of the semiconductors indium arsenide and gallium antimonide, InAs/GaSb, can be a quantum spin Hall insulator (QSHI), which exhibits spin-resolved channels at the edges but has an insulating bulk. The QSHI is linked to a nontrivial inverted band structure that emerges only for certain thicknesses of the InAs and GaSb layers. Here, the authors have exposed InAs/GaSb samples to variable compressive and tensile strain through piezo-electric elements. It is observed that the system’s electrical properties are very susceptible to even small values of such mechanical deformation. Band structure calculations reveal the impact of strain on the nontrivial electronic band structure and highlight the potential of strain-engineering for the observation of the quantum spin Hall insulating phase in this material system.

Spin-orbit coupling and strong electronic correlations in cyclic molecules

A. L. Khosla, A. C. Jacko, J. Merino, and B. J. Powell

Phys. Rev. B 95, 115109 (2017) - Published 6 March, 2017

Here, the authors show that in molecules there is an emergent spin molecular-orbital coupling (SMOC) that is not merely inherited from the atomic scale. This causes the spin of electrons to become entangled with currents running around the molecule. Molecules that are symmetric only under rotation by 2π/N, provide a striking example. For odd N there is a ladder of orbital states and SMOC allows the system to climb up or down the ladder, much like spin-orbit coupling in atoms. However, for even N there is a ring of states – SMOC can move the system around in either directions, without ever reaching a minimum or maximum. This is a consequence of the umklapp spin-orbit scattering present in even-N molecules that is precluded in odd-N molecules by time-reversal symmetry. The authors show that SMOC is large in organometallic complexes and explore how synthetic chemistry can be used to control SMOC. Such control has numerous potential applications.

Coherent control of the dynamics of a single quantum-dot exciton qubit in a cavity

Antonio de Freitas, L. Sanz, and José M. Villas-Bôas

Phys. Rev. B 95, 115110 (2017) - Published 6 March, 2017

Dimensionality-strain phase diagram of strontium iridates

Bongjae Kim, Peitao Liu, and Cesare Franchini

Phys. Rev. B 95, 115111 (2017) - Published 7 March, 2017

Quantitative first-principles calculations of valence and core excitation spectra of solid C60

F. Fossard, G. Hug, K. Gilmore, J. J. Kas, J. J. Rehr, F. D. Vila, and E. L. Shirley

Phys. Rev. B 95, 115112 (2017) - Published 8 March, 2017

Kondo screening and beyond: An x-ray absorption and dichroism study of CePt5/Pt(111)

C. Praetorius and K. Fauth

Phys. Rev. B 95, 115113 (2017) - Published 8 March, 2017

Magnified imaging based on non-Hermitian nonlocal cylindrical metasurfaces

Silvio Savoia, Constantinos A. Valagiannopoulos, Francesco Monticone, Giuseppe Castaldi, Vincenzo Galdi, and Andrea Alù

Phys. Rev. B 95, 115114 (2017) - Published 8 March, 2017

Leading corrections to local approximations. II. The case with turning points

Raphael F. Ribeiro and Kieron Burke

Phys. Rev. B 95, 115115 (2017) - Published 8 March, 2017

Energetics of H2 clusters from density functional and coupled cluster theories

J. R. Trail, P. López Ríos, and R. J. Needs

Phys. Rev. B 95, 115116 (2017) - Published 8 March, 2017

SO(8) fermion dynamical symmetry and strongly correlated quantum Hall states in monolayer graphene

Lian-Ao Wu, Matthew Murphy, and Mike Guidry

Phys. Rev. B 95, 115117 (2017) - Published 9 March, 2017

Critical behavior, universal magnetocaloric, and magnetoresistance scaling of MnSi

S. Shanmukharao Samatham and V. Ganesan

Phys. Rev. B 95, 115118 (2017) - Published 10 March, 2017

Magnetotransport properties in a compensated semimetal gray arsenic

Lingxiao Zhao, Qiunan Xu, Xinmin Wang, Junbao He, Jing Li, Huaixin Yang, Yujia Long, Dong Chen, Hui Liang, Chunhong Li, Mianqi Xue, Jianqi Li, Zhian Ren, Li Lu, Hongmin Weng, Zhong Fang, Xi Dai, and Genfu Chen

Phys. Rev. B 95, 115119 (2017) - Published 10 March, 2017

Exchange interactions of CaMnO3 in the bulk and at the surface

S. Keshavarz, Y. O. Kvashnin, D. C. M. Rodrigues, M. Pereiro, I. Di Marco, C. Autieri, L. Nordström, I. V. Solovyev, B. Sanyal, and O. Eriksson

Phys. Rev. B 95, 115120 (2017) - Published 10 March, 2017

Inverse participation ratios in the XX spin chain

Emmanuel Tsukerman

Phys. Rev. B 95, 115121 (2017) - Published 13 March, 2017

Universal entanglement spectra of gapped one-dimensional field theories

Gil Young Cho, Andreas W. W. Ludwig, and Shinsei Ryu

Phys. Rev. B 95, 115122 (2017) - Published 13 March, 2017

Electronic structure of CuTeO4 and its relationship to cuprates

Antia S. Botana and Michael R. Norman

Phys. Rev. B 95, 115123 (2017) - Published 13 March, 2017

Unique topological surface states of full-Heusler topological crystalline insulators

Anh Pham and Sean Li

Phys. Rev. B 95, 115124 (2017) - Published 13 March, 2017

Ultrafast dynamics in the presence of antiferromagnetic correlations in electron-doped cuprate La2xCexCuO4±δ

I. M. Vishik, F. Mahmood, Z. Alpichshev, N. Gedik, J. Higgins, and R. L. Greene

Phys. Rev. B 95, 115125 (2017) - Published 13 March, 2017

Two-carrier analyses of the transport properties of black phosphorus under pressure

Kazuto Akiba, Atsushi Miyake, Yuichi Akahama, Kazuyuki Matsubayashi, Yoshiya Uwatoko, and Masashi Tokunaga

Phys. Rev. B 95, 115126 (2017) - Published 13 March, 2017

Interplay between d-wave superconductivity and a bond-density wave in the one-band Hubbard model

J. P. L. Faye and D. Sénéchal

Phys. Rev. B 95, 115127 (2017) - Published 14 March, 2017

From interacting particles to equilibrium statistical ensembles

Enej Ilievski, Eoin Quinn, and Jean-Sébastien Caux

Phys. Rev. B 95, 115128 (2017) - Published 14 March, 2017

Optomechanical coupling in the Anderson-localization regime

P. D. García, R. Bericat-Vadell, G. Arregui, D. Navarro-Urrios, M. Colombano, F. Alzina, and C. M. Sotomayor-Torres

Phys. Rev. B 95, 115129 (2017) - Published 14 March, 2017

Anisotropic distortion and Lifshitz transition in α-Hf under pressure

Weiwei Sun, Wei Luo, Qingguo Feng, and Rajeev Ahuja

Phys. Rev. B 95, 115130 (2017) - Published 14 March, 2017

Excitonic magnetism in d6 perovskites

J. Fernández Afonso and J. Kuneš

Phys. Rev. B 95, 115131 (2017) - Published 15 March, 2017

Bypassing the energy-time uncertainty in time-resolved photoemission

Francesco Randi, Daniele Fausti, and Martin Eckstein

Phys. Rev. B 95, 115132 (2017) - Published 16 March, 2017

Fano stability diagram of a symmetric triple quantum dot

Michael Niklas, Andreas Trottmann, Andrea Donarini, and Milena Grifoni

Phys. Rev. B 95, 115133 (2017) - Published 17 March, 2017

Spin-entanglement between two freely propagating electrons: Experiment and theory

D. Vasilyev, F. O. Schumann, F. Giebels, H. Gollisch, J. Kirschner, and R. Feder

Phys. Rev. B 95, 115134 (2017) - Published 17 March, 2017

Here, the authors make connection to the foundation of quantum mechanics. As stated by Schrödinger, entanglement is “the characteristic trait of quantum mechanics” and seemingly at odds with the description of nature. In this joint experimental and theoretical work, the authors discuss the possibility of spin entanglement of two freely propagating electrons. These have been created by a collision of a spin-polarized primary electron with the Shockley surface state of the Cu(111) surface. The contribution of this state can clearly be identified in the experiment and allows use of its particular features. The electron scattering study done here resembles the scenario envisioned by the seminal works of Einstein-Podolsky-Rosen and Schrödinger to work out the peculiar nature of entanglement.

Compact localized states and flat-band generators in one dimension

Wulayimu Maimaiti, Alexei Andreanov, Hee Chul Park, Oleg Gendelman, and Sergej Flach

Phys. Rev. B 95, 115135 (2017) - Published 20 March, 2017

Fibonacci anyons and charge density order in the 12/5 and 13/5 quantum Hall plateaus

Roger S. K. Mong, Michael P. Zaletel, Frank Pollmann, and Zlatko Papić

Phys. Rev. B 95, 115136 (2017) - Published 20 March, 2017

Many-body correlations and coupling in benzene-dithiol junctions

T. Rangel, A. Ferretti, V. Olevano, and G.-M. Rignanese

Phys. Rev. B 95, 115137 (2017) - Published 21 March, 2017

Antiferromagnetic Dirac semimetals in two dimensions

Jing Wang

Phys. Rev. B 95, 115138 (2017) - Published 21 March, 2017

Subdimensional particle structure of higher rank U(1) spin liquids

Michael Pretko

Phys. Rev. B 95, 115139 (2017) - Published 22 March, 2017

Quantum spin liquids can be well described in the language of gauge theory. While most theoretical effort has been focused on gauge theories with a familiar vector gauge field, there exists a stable class of quantum spin liquids described by higher-rank tensor gauge fields. Here, the authors focus on a class of stable three-dimensional spin liquids described by symmetric tensor U(1) gauge fields. They find that these spin liquids feature an exotic class of excitations that are restricted to motion along lower-dimensional subspaces, a phenomenon seen earlier in fracton models. They show how this subdimensional behavior follows naturally from a set of higher-moment charge conservation laws that place severe restrictions on particle motion. This work opens up an exciting new direction in the field of spin liquids.

Evidence of topological insulator state in the semimetal LaBi

R. Lou, B.-B. Fu, Q. N. Xu, P.-J. Guo, L.-Y. Kong, L.-K. Zeng, J.-Z. Ma, P. Richard, C. Fang, Y.-B. Huang, S.-S. Sun, Q. Wang, L. Wang, Y.-G. Shi, H. C. Lei, K. Liu, H. M. Weng, T. Qian, H. Ding, and S.-C. Wang

Phys. Rev. B 95, 115140 (2017) - Published 23 March, 2017

Conformal energy currents on the edge of a topological superconductor

Chris N. Self, Jiannis K. Pachos, James R. Wootton, and Sofyan Iblisdir

Phys. Rev. B 95, 115141 (2017) - Published 23 March, 2017

Twisted gauge theories in three-dimensional Walker-Wang models

Zitao Wang and Xie Chen

Phys. Rev. B 95, 115142 (2017) - Published 24 March, 2017

Magnetic-field-induced criticality in superconducting two-leg ladders

Temo Vekua

Phys. Rev. B 95, 115143 (2017) - Published 24 March, 2017

Photon energy dependent circular dichroism in angle-resolved photoemission from Au(111) surface states

Hanyoung Ryu, Inkyung Song, Beomyoung Kim, Soohyun Cho, Shoresh Soltani, Timur Kim, Moritz Hoesch, Choong H. Kim, and Changyoung Kim

Phys. Rev. B 95, 115144 (2017) - Published 24 March, 2017

Plasmonic properties of refractory titanium nitride

Alessandra Catellani and Arrigo Calzolari

Phys. Rev. B 95, 115145 (2017) - Published 27 March, 2017

Elucidating the lack of magnetic order in the heavy-fermion CeCu2Mg

H. Michor, J. G. Sereni, M. Giovannini, E. Kampert, L. Salamakha, G. Hilscher, and E. Bauer

Phys. Rev. B 95, 115146 (2017) - Published 27 March, 2017

Phase coexistence near the metal-insulator transition in a compressively strained NdNiO3 film grown on LaAlO3: Scanning tunneling, noise, and impedance spectroscopy studies

Ravindra Singh Bisht, Sudeshna Samanta, and A. K. Raychaudhuri

Phys. Rev. B 95, 115147 (2017) - Published 27 March, 2017

Nonequilibrium thermal transport and vacuum expansion in the Hubbard model

C. Karrasch

Phys. Rev. B 95, 115148 (2017) - Published 27 March, 2017

Charge ordering and correlation effects in the extended Hubbard model

Hanna Terletska, Tianran Chen, and Emanuel Gull

Phys. Rev. B 95, 115149 (2017) - Published 27 March, 2017

Sachdev-Ye-Kitaev model and thermalization on the boundary of many-body localized fermionic symmetry-protected topological states

Yi-Zhuang You, Andreas W. W. Ludwig, and Cenke Xu

Phys. Rev. B 95, 115150 (2017) - Published 28 March, 2017

The Sachdev-Ye-Kitaev (SYK) model is a quantum mechanical model for randomly interaction fermions in a quantum dot. This paper studies the properties of the many-body spectrum of the SYK model and finds a periodicity of the spectral properties in term of the number of fermion modes in the quantum dot. In particular, the level statistics of SYK spectrum are investigated. It is found that the many-body level spacing of the SYK model follows Wigner-Dyson statistics, consistent with the thermalizing nature of the SYK model. Interestingly, the level statistics goes through those of different random matrix ensembles periodically. The periodicity can be explained by viewing the SYK model as an effective model for the boundary of 1D interacting fermionic symmetry-protected topological states. The periodicity in the SYK spectrum is therefore tied to the classification of fermionic topological states in one dimension.

Superconducting and ferromagnetic phase diagram of UCoGe probed by thermal expansion

A. M. Nikitin, J. J. Geldhof, Y. K. Huang, D. Aoki, and A. de Visser

Phys. Rev. B 95, 115151 (2017) - Published 28 March, 2017

The superconducting ferromagnet UCoGe is a versatile laboratory tool to investigate the interplay of ferromagnetism (Tc = 3.0 K) and superconductivity (Tsc = 0.6 K). Here, the authors report the superconducting and magnetic phase diagram in the field-temperature plane determined by thermal expansion measurements. The use of the thermal expansion technique has the advantage that it involves a thermodynamic bulk probe. The experiments were carried out on a single crystal in fixed magnetic fields applied along the principal axes of the orthorhombic crystal. Since the phase diagram depends sensitively on the orientation of the magnetic field with respect to the crystal axes, the thermal expansion cell was mounted on a piezoelectric rotator to enable in situ tuning of the magnetic field angle. The authors observe that the Curie point for B || b shifts gradually to lower temperatures and present bulk-sensitive evidence for the unusual S-shaped Bc2 curve for the same field orientation. The results lend further support to theoretical proposals of spin-fluctuation mediated enhancement of superconductivity in a magnetic field (B || b).

Local and collective magnetism of EuFe2As2

Jonathan Pelliciari, Kenji Ishii, Marcus Dantz, Xingye Lu, Daniel E. McNally, Vladimir N. Strocov, Lingyi Xing, Xiancheng Wang, Changqing Jin, Hirale S. Jeevan, Philipp Gegenwart, and Thorsten Schmitt

Phys. Rev. B 95, 115152 (2017) - Published 28 March, 2017

Jellium-with-gap model applied to semilocal kinetic functionals

Lucian A. Constantin, Eduardo Fabiano, Szymon Śmiga, and Fabio Della Sala

Phys. Rev. B 95, 115153 (2017) - Published 29 March, 2017

Pressure-driven phase transition from antiferromagnetic semiconductor to nonmagnetic metal in the two-leg ladders AFe2X3 (A=Ba,K; X=S,Se)

Yang Zhang, Lingfang Lin, Jun-Jie Zhang, Elbio Dagotto, and Shuai Dong

Phys. Rev. B 95, 115154 (2017) - Published 31 March, 2017

Quantum mechanics in an evolving Hilbert space

Emilio Artacho and David D. O'Regan

Phys. Rev. B 95, 115155 (2017) - Published 31 March, 2017

Quantum mechanics nominally works in a space of infinite dimensions. In practice, however, the computer-based solution of quantum-mechanical problems relies on a restriction of that space to a high but finite number of dimensions. This is important since computational quantum-mechanical simulations have a huge presence in today’s physical science. In many instances, the finite-dimensional space needs to evolve during a simulation. In this work, the authors extend the formalism used for finite spaces to that of evolving spaces. Here, well-known equations acquire a new meaning in the language of the curved spaces familiar to general relativity. The authors provide a novel geometric approach to calculating tensorially well-defined derivatives of quantum-mechanical state and operator representations with respect to arbitrary external parameters. Contributions due to basis function evolution play the role of the Christoffel symbol terms of Riemannian geometry. The curvature of the resulting geometry is equivalent to Berry’s curvature, but generalized for possibly nonorthogonal, smoothly varying basis functions. This work provides insights into dynamical quantum simulations that enable the development of improved simulation algorithms. It also opens up new scientific horizons, as is ever the case when establishing formal links between different subfields of physics.

Semiconductors I: bulk

Atypically small temperature-dependence of the direct band gap in the metastable semiconductor copper nitride Cu3N

Max Birkett, Christopher N. Savory, Angela N. Fioretti, Paul Thompson, Christopher A. Muryn, A. D. Weerakkody, I. Z. Mitrovic, S. Hall, Rob Treharne, Vin R. Dhanak, David O. Scanlon, Andriy Zakutayev, and Tim D. Veal

Phys. Rev. B 95, 115201 (2017) - Published 6 March, 2017

Chiral magnetic plasmons in anomalous relativistic matter

E. V. Gorbar, V. A. Miransky, I. A. Shovkovy, and P. O. Sukhachov

Phys. Rev. B 95, 115202 (2017) - Published 7 March, 2017

Effects of energy correlations and superexchange on charge transport and exciton formation in amorphous molecular semiconductors: An ab initio study

Andrea Massé, Pascal Friederich, Franz Symalla, Feilong Liu, Velimir Meded, Reinder Coehoorn, Wolfgang Wenzel, and Peter A. Bobbert

Phys. Rev. B 95, 115204 (2017) - Published 31 March, 2017

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

Wurtzite spin lasers

Paulo E. Faria Junior, Gaofeng Xu, Yang-Fang Chen, Guilherme M. Sipahi, and Igor Žutić

Phys. Rev. B 95, 115301 (2017) - Published 1 March, 2017

Spin relaxation through lateral spin transport in heavily doped n-type silicon

M. Ishikawa, T. Oka, Y. Fujita, H. Sugiyama, Y. Saito, and K. Hamaya

Phys. Rev. B 95, 115302 (2017) - Published 3 March, 2017

Keldysh approach to periodically driven systems with a fermionic bath: Nonequilibrium steady state, proximity effect, and dissipation

Dong E. Liu, Alex Levchenko, and Roman M. Lutchyn

Phys. Rev. B 95, 115303 (2017) - Published 6 March, 2017

Scattering mechanisms of highest-mobility InAs/AlxGa1xSb quantum wells

T. Tschirky, S. Mueller, Ch. A. Lehner, S. Fält, T. Ihn, K. Ensslin, and W. Wegscheider

Phys. Rev. B 95, 115304 (2017) - Published 9 March, 2017

Charge-driven feedback loop in the resonance fluorescence of a single quantum dot

B. Merkel, A. Kurzmann, J.-H. Schulze, A. Strittmatter, M. Geller, and A. Lorke

Phys. Rev. B 95, 115305 (2017) - Published 10 March, 2017

Reduced exchange narrowing caused by gate-induced charge carriers in high-mobility donor–acceptor copolymers

Jun'ya Tsutsumi, Satoshi Matsuoka, Itaru Osaka, Reiji Kumai, and Tatsuo Hasegawa

Phys. Rev. B 95, 115306 (2017) - Published 13 March, 2017

Spin-orbit scattering visualized in quasiparticle interference

Y. Kohsaka, T. Machida, K. Iwaya, M. Kanou, T. Hanaguri, and T. Sasagawa

Phys. Rev. B 95, 115307 (2017) - Published 15 March, 2017

Why a noninteracting model works for shot noise in fractional charge experiments

D. E. Feldman and Moty Heiblum

Phys. Rev. B 95, 115308 (2017) - Published 15 March, 2017

Compactly supported Wannier functions and algebraic K-theory

N. Read

Phys. Rev. B 95, 115309 (2017) - Published 20 March, 2017

Symmetry breaking and (pseudo)spin polarization in Veselago lenses for massless Dirac fermions

K. J. A. Reijnders and M. I. Katsnelson

Phys. Rev. B 95, 115310 (2017) - Published 21 March, 2017

Energetic, electronic, and magnetic properties of Mn pairs on reconstructed (001) GaAs surfaces

Magdalena Birowska, Cezary Śliwa, and Jacek A. Majewski

Phys. Rev. B 95, 115311 (2017) - Published 22 March, 2017

Highly sensitive on-chip magnetometer with saturable absorbers in two-color microcavities

O. Gazzano and C. Becher

Phys. Rev. B 95, 115312 (2017) - Published 29 March, 2017

Surface physics, nanoscale physics, low-dimensional systems

Unraveling the spin structure of unoccupied states in Bi2Se3

Christian Datzer, Anna Zumbülte, Jürgen Braun, Tobias Förster, Anke B. Schmidt, Jianli Mi, Bo Iversen, Philip Hofmann, Jan Minár, Hubert Ebert, Peter Krüger, Michael Rohlfing, and Markus Donath

Phys. Rev. B 95, 115401 (2017) - Published 1 March, 2017

In topological insulators (TIs), spin-orbit coupling leads to the emergence of metallic topological surface states crossing the fundamental band gap. They exhibit a Dirac-cone-like dispersion with a helical spin structure. Bi2Se3(111) is the most prominent prototypical TI featuring a simple band structure with a single Dirac cone close to the Fermi level around the center of the surface Brillouin zone. Due to the interesting spin structure, TIs have emerged as promising materials in the field of spintronics and optospintronics. Ultrafast light pulses might pave a way to control spin currents. In this context, a profound knowledge about the dispersion and the spin polarization of both the occupied and the unoccupied electronic states is required. The authors present a joint experimental and theoretical study on the unoccupied electronic states of the topological insulator Bi2Se3. They discuss spin- and angle-resolved inverse photoemission results in comparison with calculations for both the intrinsic band structure and, within the one-step model of (inverse) photoemission, the expected spectral intensities. This allows them to unravel the intrinsic spin texture of the unoccupied bands at the surface of Bi2Se3.

Temperature of a nanoparticle above a substrate under radiative heating and cooling

Houssem Kallel, Rémi Carminati, and Karl Joulain

Phys. Rev. B 95, 115402 (2017) - Published 1 March, 2017

Microscopic derivation of magnon spin current in a topological insulator/ferromagnet heterostructure

Nobuyuki Okuma and Kentaro Nomura

Phys. Rev. B 95, 115403 (2017) - Published 1 March, 2017

Spin-charge coupled dynamics driven by a time-dependent magnetization

Sebastian Tölle, Ulrich Eckern, and Cosimo Gorini

Phys. Rev. B 95, 115404 (2017) - Published 2 March, 2017

Tunneling conductance in a two-dimensional Dirac semimetal protected by nonsymmorphic symmetry

Tetsuro Habe

Phys. Rev. B 95, 115405 (2017) - Published 2 March, 2017

Molecular plasmonics: The role of rovibrational molecular states in exciton-plasmon materials under strong-coupling conditions

Maxim Sukharev and Eric Charron

Phys. Rev. B 95, 115406 (2017) - Published 3 March, 2017

High thermoelectric power factor in two-dimensional crystals of MoS2

Kedar Hippalgaonkar, Ying Wang, Yu Ye, Diana Y. Qiu, Hanyu Zhu, Yuan Wang, Joel Moore, Steven G. Louie, and Xiang Zhang

Phys. Rev. B 95, 115407 (2017) - Published 3 March, 2017

Transport signatures of Kondo physics and quantum criticality in graphene with magnetic impurities

David A. Ruiz-Tijerina and Luis G. G. V. Dias da Silva

Phys. Rev. B 95, 115408 (2017) - Published 6 March, 2017

Structural and electronic properties of monolayer group III monochalcogenides

S. Demirci, N. Avazlı, E. Durgun, and S. Cahangirov

Phys. Rev. B 95, 115409 (2017) - Published 6 March, 2017

Chiral anomaly in Dirac semimetals due to dislocations

M. N. Chernodub and M. A. Zubkov

Phys. Rev. B 95, 115410 (2017) - Published 6 March, 2017

Field-induced diverse quantizations in monolayer and bilayer black phosphorus

Jhao-Ying Wu, Szu-Chao Chen, Godfrey Gumbs, and Ming-Fa Lin

Phys. Rev. B 95, 115411 (2017) - Published 7 March, 2017

Polarized heat current generated by quantum pumping in two-dimensional topological insulators

F. Ronetti, M. Carrega, D. Ferraro, J. Rech, T. Jonckheere, T. Martin, and M. Sassetti

Phys. Rev. B 95, 115412 (2017) - Published 8 March, 2017

Local and long-range realizations of a spin-reorientation surface phase transition

G. He, H. Winch, R. Belanger, P. H. Nguyen, and D. Venus

Phys. Rev. B 95, 115413 (2017) - Published 8 March, 2017

Electronic structure of tetraphenylporphyrin layers on Ag(100)

Andrej Classen, Rebecca Pöschel, Gianluca Di Filippo, Thomas Fauster, Osman Barış Malcıoğlu, and Michel Bockstedte

Phys. Rev. B 95, 115414 (2017) - Published 10 March, 2017

Photonic versus electronic quantum anomalous Hall effect

O. Bleu, D. D. Solnyshkov, and G. Malpuech

Phys. Rev. B 95, 115415 (2017) - Published 13 March, 2017

Landauer-Büttiker approach for hyperfine mediated electronic transport in the integer quantum Hall regime

Aniket Singha, M. H. Fauzi, Y. Hirayama, and Bhaskaran Muralidharan

Phys. Rev. B 95, 115416 (2017) - Published 13 March, 2017

Enhancing the spin transfer torque in magnetic tunnel junctions by ac modulation

Xiaobin Chen, Chenyi Zhou, Zhaohui Zhang, Jingzhe Chen, Xiaohong Zheng, Lei Zhang, Can-Ming Hu, and Hong Guo

Phys. Rev. B 95, 115417 (2017) - Published 13 March, 2017

Surface atomic structure of epitaxial LaNiO3 thin films studied by in situ LEED-I(V)

J. P. Ruf, P. D. C. King, V. B. Nascimento, D. G. Schlom, and K. M. Shen

Phys. Rev. B 95, 115418 (2017) - Published 15 March, 2017

Raman-like resonant secondary emission causes valley coherence in CVD-grown monolayer MoS2

Naotaka Yoshikawa, Shuntaro Tani, and Koichiro Tanaka

Phys. Rev. B 95, 115419 (2017) - Published 16 March, 2017

Extracting band structure characteristics of GaSb/InAs core-shell nanowires from thermoelectric properties

Florinda Viñas, H. Q. Xu, and Martin Leijnse

Phys. Rev. B 95, 115420 (2017) - Published 16 March, 2017

Robustness of Majorana bound states in the short-junction limit

Doru Sticlet, Bas Nijholt, and Anton Akhmerov

Phys. Rev. B 95, 115421 (2017) - Published 17 March, 2017

Pseudomagnetic helicons

E. V. Gorbar, V. A. Miransky, I. A. Shovkovy, and P. O. Sukhachov

Phys. Rev. B 95, 115422 (2017) - Published 20 March, 2017

Quantum-continuum simulation of the electrochemical response of pseudocapacitor electrodes under realistic conditions

Nathan Keilbart, Yasuaki Okada, Aion Feehan, Shin'ichi Higai, and Ismaila Dabo

Phys. Rev. B 95, 115423 (2017) - Published 20 March, 2017

Transmission in graphene–topological insulator heterostructures

C. De Beule, M. Zarenia, and B. Partoens

Phys. Rev. B 95, 115424 (2017) - Published 21 March, 2017

Stokes paradox in electronic Fermi liquids

Andrew Lucas

Phys. Rev. B 95, 115425 (2017) - Published 21 March, 2017

Giant magnetoresistance and anomalous transport in phosphorene-based multilayers with noncollinear magnetization

Moslem Zare, Leyla Majidi, and Reza Asgari

Phys. Rev. B 95, 115426 (2017) - Published 23 March, 2017

Tunneling of heat between metals

G. D. Mahan

Phys. Rev. B 95, 115427 (2017) - Published 23 March, 2017

Spin transport in as-grown and annealed thulium iron garnet/platinum bilayers with perpendicular magnetic anisotropy

Can Onur Avci, Andy Quindeau, Maxwell Mann, Chi-Feng Pai, Caroline A. Ross, and Geoffrey S. D. Beach

Phys. Rev. B 95, 115428 (2017) - Published 24 March, 2017

Interlayer coupling in commensurate and incommensurate bilayer structures of transition-metal dichalcogenides

Yong Wang, Zhan Wang, Wang Yao, Gui-Bin Liu, and Hongyi Yu

Phys. Rev. B 95, 115429 (2017) - Published 24 March, 2017

Indirect exchange interaction between magnetic impurities near the helical edge

V. D. Kurilovich, P. D. Kurilovich, and I. S. Burmistrov

Phys. Rev. B 95, 115430 (2017) - Published 27 March, 2017

Bulk diffusive relaxation mechanisms in optically excited topological insulators

A. Sterzi, G. Manzoni, L. Sbuelz, F. Cilento, M. Zacchigna, Ph. Bugnon, A. Magrez, H. Berger, A. Crepaldi, and F. Parmigiani

Phys. Rev. B 95, 115431 (2017) - Published 27 March, 2017

Landau levels and shallow donor states in GaAs/AlGaAs multiple quantum wells at megagauss magnetic fields

M. Zybert, M. Marchewka, E. M. Sheregii, D. G. Rickel, J. B. Betts, F. F. Balakirev, M. Gordon, A. V. Stier, C. H. Mielke, P. Pfeffer, and W. Zawadzki

Phys. Rev. B 95, 115432 (2017) - Published 27 March, 2017

Wigner crystal phases in confined carbon nanotubes

L. Sárkány, E. Szirmai, C. P. Moca, L. Glazman, and G. Zaránd

Phys. Rev. B 95, 115433 (2017) - Published 27 March, 2017

Impurity-induced current in a Chern insulator

Vibhuti Bhushan Jha, Garima Rani, and R. Ganesh

Phys. Rev. B 95, 115434 (2017) - Published 27 March, 2017

Equivalent realizations of reciprocal metasurfaces: Role of tangential and normal polarization

M. Albooyeh, D.-H. Kwon, F. Capolino, and S. A. Tretyakov

Phys. Rev. B 95, 115435 (2017) - Published 27 March, 2017

Electronic and transport properties of n-type monolayer black phosphorus at low temperatures

F. W. Han, W. Xu, L. L. Li, C. Zhang, H. M. Dong, and F. M. Peeters

Phys. Rev. B 95, 115436 (2017) - Published 27 March, 2017

Single-particle excitation of core states in epitaxial silicene

Chi-Cheng Lee, Jun Yoshinobu, Kozo Mukai, Shinya Yoshimoto, Hiroaki Ueda, Rainer Friedlein, Antoine Fleurence, Yukiko Yamada-Takamura, and Taisuke Ozaki

Phys. Rev. B 95, 115437 (2017) - Published 28 March, 2017

Wigner crystallization in transition metal dichalcogenides: A new approach to correlation energy

M. Zarenia, D. Neilson, B. Partoens, and F. M. Peeters

Phys. Rev. B 95, 115438 (2017) - Published 29 March, 2017

Light-induced nonthermal population of optical phonons in nanocrystals

Bruno P. Falcão, Joaquim P. Leitão, Maria R. Correia, Maria R. Soares, Hartmut Wiggers, Andrés Cantarero, and Rui N. Pereira

Phys. Rev. B 95, 115439 (2017) - Published 30 March, 2017

Topological flat bands in time-periodically driven uniaxial strained graphene nanoribbons

Pedro Roman-Taboada and Gerardo G. Naumis

Phys. Rev. B 95, 115440 (2017) - Published 30 March, 2017

One-dimensional plasmonic hotspots located between silver nanowire dimers evaluated by surface-enhanced resonance Raman scattering

Tamitake Itoh, Yuko S. Yamamoto, Yasutaka Kitahama, and Jeyadevan Balachandran

Phys. Rev. B 95, 115441 (2017) - Published 31 March, 2017

Wigner molecules and charged excitons in near-field magnetophotoluminescence spectra of self-organized InP/GaInP quantum dots

A. M. Mintairov, J. Kapaldo, J. L. Merz, A. S. Vlasov, and S. A. Blundell

Phys. Rev. B 95, 115442 (2017) - Published 31 March, 2017

Multihole edge states in Su-Schrieffer-Heeger chains with interactions

A. M. Marques and R. G. Dias

Phys. Rev. B 95, 115443 (2017) - Published 31 March, 2017

Optimizing the Drude-Lorentz model for material permittivity: Method, program, and examples for gold, silver, and copper

H. S. Sehmi, W. Langbein, and E. A. Muljarov

Phys. Rev. B 95, 115444 (2017) - Published 31 March, 2017

ERRATA

Erratum: Improved modeling of electrified interfaces using the effective screening medium method [Phys. Rev. B 88, 155427 (2013)]

Ikutaro Hamada, Osamu Sugino, Nicéphore Bonnet, and Minoru Otani

Phys. Rev. B 95, 119901 (2017) - Published 6 March, 2017

Publisher's Note: Observation of surface superstructure induced by systematic vacancies in the topological Dirac semimetal Cd3As2 [Phys. Rev. B 95, 081410(R) (2017)]

Christopher J. Butler, Yi Tseng, Cheng-Rong Hsing, Yu-Mi Wu, Raman Sankar, Mei-Fang Wang, Ching-Ming Wei, Fang-Cheng Chou, and Minn-Tsong Lin

Phys. Rev. B 95, 119902 (2017) - Published 9 March, 2017

Erratum: Electronic structure of layered quaternary chalcogenide materials for band-gap engineering: The example of Cs2MIIM3IVQ8 [Phys. Rev. B 93, 165205 (2016)]

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

Phys. Rev. B 95, 119903 (2017) - Published 16 March, 2017

Erratum: Enhanced Casimir effect for doped graphene [Phys. Rev. B 93, 075414 (2016)]

M. Bordag, I. Fialkovskiy, and D. Vassilevich

Phys. Rev. B 95, 119905 (2017) - Published 24 March, 2017

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