Electronic structure of Na, K, Si, and LiF from self-consistent solution of Hedin's equations including vertex corrections
Andrey L. Kutepov
Phys. Rev. B 94, 155101 (2016) - Published 3 October, 2016
Functional renormalization group approach to electronic structure calculations for systems without translational symmetry
Christian Seiler and Ferdinand Evers
Phys. Rev. B 94, 155102 (2016) - Published 3 October, 2016
Good progress has been made in electronic structure calculations for real materials as well as for model Hamiltonians. However with an eye on calculations, it is still very challenging to accurately calculate, e.g., the dynamical response of small molecules or atom clusters. At present the method of choice is the GW-BSE method. Its notorious drawback is that solving a computationally demanding self-consistency equation is required. Thus motivated, the author explore an alternative idea replacing the self-consistency problem by the functional renormalization group (FRG). The traditional FRG was formulated for systems with translational symmetry. We investigate an alternative (FRG) that is also applicable to inhomogeneous matter, such as disordered metals or molecules. It accounts for Fermi-liquid corrections to quasiparticle energies and particle-hole excitations. In principle it can go beyond the state of the art approximation, GW-BSE, by solving the Bethe-Salpeter equation (BSE) self-consistently We present an efficient implementation of FRG together with performance tests on the spinless disordered Hubbard model.
Anomalous transport near the Lifshitz transition at the interface
S. Nandy, N. Mohanta, S. Acharya, and A. Taraphder
Phys. Rev. B 94, 155103 (2016) - Published 3 October, 2016
Hall response and edge current dynamics in Chern insulators out of equilibrium
M. D. Caio, N. R. Cooper, and M. J. Bhaseen
Phys. Rev. B 94, 155104 (2016) - Published 4 October, 2016
Ab initio electronic relaxation times and transport in noble metals
Jamal I. Mustafa, Marco Bernardi, Jeffrey B. Neaton, and Steven G. Louie
Phys. Rev. B 94, 155105 (2016) - Published 5 October, 2016
Constructing topological models by symmetrization: A projected entangled pair states study
Carlos Fernández-González, Roger S. K. Mong, Olivier Landon-Cardinal, David Pérez-García, and Norbert Schuch
Phys. Rev. B 94, 155106 (2016) - Published 5 October, 2016
Ferromagnetism beyond Lieb's theorem
Natanael C. Costa, Tiago Mendes-Santos, Thereza Paiva, Raimundo R. dos Santos, and Richard T. Scalettar
Phys. Rev. B 94, 155107 (2016) - Published 6 October, 2016
Spin-orbit semimetals in the layer groups
Benjamin J. Wieder and C. L. Kane
Phys. Rev. B 94, 155108 (2016) - Published 6 October, 2016
Since the discovery of graphene, there has been great interest in finding other nodal semimetals in two and three dimensions. Over the past few years, numerous examples of these materials have been proposed or observed. However, the explanations for the symmetry and topology mechanisms protecting nodal features in these materials have generally been provided on a case-by-case basis. In this paper, we use a mathematical consideration of crystal lattices on flat manifolds like Mquotobius strips and Klein bottles, most recently revived by Watanabe, Po, Vishwanath, and Zaletel, to develop a framework for discussing all possible two-dimensional and quasi-two-dimensional semimetals in systems with strong spin-orbit interactions. Using this framework, we draw connections to known nodal features in two- and three-dimensional semimetals like SrIrO, and we predict new ones, including an exotic “Cat’s Cradle” Weyl fermion feature.
Statistical mechanics approach to the electric polarization and dielectric constant of band insulators
Frédéric Combes, Maximilian Trescher, Frédéric Piéchon, and Jean-Noël Fuchs
Phys. Rev. B 94, 155109 (2016) - Published 6 October, 2016
Inverse participation ratios in the XXZ spin chain
Grégoire Misguich, Vincent Pasquier, and Jean-Marc Luck
Phys. Rev. B 94, 155110 (2016) - Published 6 October, 2016
Correlation and current anomalies in helical quantum dots
C. De Beule, N. Traverso Ziani, M. Zarenia, B. Partoens, and B. Trauzettel
Phys. Rev. B 94, 155111 (2016) - Published 7 October, 2016
Pure spin current and perfect valley filter by designed separation of the chiral states in two-dimensional honeycomb lattices
Da-Ping Liu, Zhi-Ming Yu, and Yu-Liang Liu
Phys. Rev. B 94, 155112 (2016) - Published 7 October, 2016
Theory of (2+1)-dimensional fermionic topological orders and fermionic/bosonic topological orders with symmetries
Tian Lan, Liang Kong, and Xiao-Gang Wen
Phys. Rev. B 94, 155113 (2016) - Published 10 October, 2016
Detecting a preformed pair phase: Response to a pairing forcing field
A. Tagliavini, M. Capone, and A. Toschi
Phys. Rev. B 94, 155114 (2016) - Published 10 October, 2016
Minimal model for the frustrated spin ladder system
Leanna Splinter, Nils A. Drescher, Holger Krull, and Götz S. Uhrig
Phys. Rev. B 94, 155115 (2016) - Published 10 October, 2016
High-resolution optical spectroscopy and magnetic properties of in
Sacha Welinski, Alban Ferrier, Mikael Afzelius, and Philippe Goldner
Phys. Rev. B 94, 155116 (2016) - Published 10 October, 2016
X-ray absorption and emission spectroscopy study of Mn and Co valence and spin states in
V. Cuartero, S. Lafuerza, M. Rovezzi, J. García, J. Blasco, G. Subías, and E. Jiménez
Phys. Rev. B 94, 155117 (2016) - Published 12 October, 2016
Large anomalous magnetic moment in three-dimensional Dirac and Weyl semimetals
E. C. I. van der Wurff and H. T. C. Stoof
Phys. Rev. B 94, 155118 (2016) - Published 12 October, 2016
Mott-Hubbard transition and spin-liquid state on the pyrochlore lattice
Nyayabanta Swain, Rajarshi Tiwari, and Pinaki Majumdar
Phys. Rev. B 94, 155119 (2016) - Published 13 October, 2016
Two holes in a two-dimensional quantum antiferromagnet: A variational study based on entangled-plaquette states
Fabio Mezzacapo, Adriano Angelone, and Guido Pupillo
Phys. Rev. B 94, 155120 (2016) - Published 13 October, 2016
Topological semimetal to insulator quantum phase transition in the Zintl compounds
Ziming Zhu, Mingda Li, and Ju Li
Phys. Rev. B 94, 155121 (2016) - Published 13 October, 2016
Signatures and conditions for phase band crossings in periodically driven integrable systems
Bhaskar Mukherjee, Arnab Sen, Diptiman Sen, and K. Sengupta
Phys. Rev. B 94, 155122 (2016) - Published 13 October, 2016
Gradient methods for variational optimization of projected entangled-pair states
Laurens Vanderstraeten, Jutho Haegeman, Philippe Corboz, and Frank Verstraete
Phys. Rev. B 94, 155123 (2016) - Published 14 October, 2016
The authors present a new method for variationally optimizing projected entangled-pair states (PEPS) in the thermodynamic limit based on the global energy functional and novel tensor contraction strategies. It is successfully benchmarked using Ising and Heisenberg Hamiltonians. The method is completely independent from previous PEPS implementations and improves on the variational energies and order parameters as compared to other state-of-the-art PEPS simulations. The algorithm presented here should prove valuable in simulating ground-state properties of strongly correlated quantum spin systems, can be used with other variational ansatzes, and can be applied to tensor network states in general.
Electrons, holes, and spin in the IV-VI monolayer four-six-enes
Ian Appelbaum and Pengke Li (李鹏科)
Phys. Rev. B 94, 155124 (2016) - Published 14 October, 2016
The electronic structure of crystalline materials reflects the influence of underlying discrete symmetries of the atomic lattice. When these symmetries are broken, associated degeneracies in the spectrum of states often split, with important consequences for potential electronic and spintronic applications. The mathematical language of group theory can be used to capture the effect of these symmetries and provide insight into the origins of spectrum features obtained from essentially empirical ab initio numerical calculations such as density functional theory. A salient example comes from the unusual electronic structure of atomically thin two-dimensional “four-six-ene” semiconductors such as tin sulfide, germanium telluride, etc. (related to group-V phosphorene but formed from group IV and VI). In this case, group theoretic methods provide a straightforward framework for understanding the consequences of inversion symmetry breaking due to inequivalent sublattice atomic identity. In particular, the quantum states at the edge of the fundamental band gap – relevant to all transport, optoelectronic, and spintronic properties – are shown to directly inherit their character from nearby points of high symmetry in the reciprocal lattice, where the form of allowable energetic interactions is constrained.
Mixed -sourcery: Building many-body states using bubbles of nothing
Brian Swingle and John McGreevy
Phys. Rev. B 94, 155125 (2016) - Published 17 October, 2016
Analysis of two-orbital correlations in wave functions restricted to electron-pair states
Katharina Boguslawski, Paweł Tecmer, and Örs Legeza
Phys. Rev. B 94, 155126 (2016) - Published 14 October, 2016
Superconductivity and nematic fluctuations in a model of doped FeSe monolayers: Determinant quantum Monte Carlo study
Philipp T. Dumitrescu, Maksym Serbyn, Richard T. Scalettar, and Ashvin Vishwanath
Phys. Rev. B 94, 155127 (2016) - Published 17 October, 2016
Fractal symmetries: Ungauging the cubic code
Dominic J. Williamson
Phys. Rev. B 94, 155128 (2016) - Published 17 October, 2016
Evidence for impact ionization in vanadium dioxide
Joshua Holleman, Michael M. Bishop, Carlos Garcia, J. S. R. Vellore Winfred, Shinbuhm Lee, Ho Nyung Lee, Christianne Beekman, Efstratios Manousakis, and Stephen A. McGill
Phys. Rev. B 94, 155129 (2016) - Published 17 October, 2016
Magnetic-field-induced mixed-level Kondo effect in two-level systems
Arturo Wong, Anh T. Ngo, and Sergio E. Ulloa
Phys. Rev. B 94, 155130 (2016) - Published 17 October, 2016
Charge self-consistency in density functional theory combined with dynamical mean field theory: -space reoccupation and orbital order
Sumanta Bhandary, Elias Assmann, Markus Aichhorn, and Karsten Held
Phys. Rev. B 94, 155131 (2016) - Published 19 October, 2016
Existence of topological nontrivial surface states in strained transition metals: W, Ta, Mo, and Nb
Danny Thonig, Tomáš Rauch, Hossein Mirhosseini, Jürgen Henk, Ingrid Mertig, Henry Wortelen, Bernd Engelkamp, Anke B. Schmidt, and Markus Donath
Phys. Rev. B 94, 155132 (2016) - Published 19 October, 2016
Heterodyne Hall effect in a two-dimensional electron gas
Takashi Oka and Leda Bucciantini
Phys. Rev. B 94, 155133 (2016) - Published 20 October, 2016
Quadratic band touching with long-range interactions in and out of equilibrium
Balázs Dóra and Igor F. Herbut
Phys. Rev. B 94, 155134 (2016) - Published 20 October, 2016
Magnetic collapse and the behavior of transition metal oxides at high pressure
I. Leonov, L. Pourovskii, A. Georges, and I. A. Abrikosov
Phys. Rev. B 94, 155135 (2016) - Published 20 October, 2016
Theory of a 3+1D fractional chiral metal: Interacting variant of the Weyl semimetal
Tobias Meng, Adolfo G. Grushin, Kirill Shtengel, and Jens H. Bardarson
Phys. Rev. B 94, 155136 (2016) - Published 20 October, 2016
Possible Bose-Einstein condensate associated with an orbital degree of freedom in the Mott insulator
J.-S. Zhou, L.-P. Cao, J. A. Alonso, J. Sanchez-Benitez, M. T. Fernandez-Diaz, X. Li, J.-G. Cheng, L. G. Marshall, C.-Q. Jin, and J. B. Goodenough
Phys. Rev. B 94, 155137 (2016) - Published 21 October, 2016
Orbital-dependent Fermi surface shrinking as a fingerprint of nematicity in FeSe
Laura Fanfarillo, Joseph Mansart, Pierre Toulemonde, Hervé Cercellier, Patrick Le Fèvre, François Bertran, Belen Valenzuela, Lara Benfatto, and Véronique Brouet
Phys. Rev. B 94, 155138 (2016) - Published 21 October, 2016
Microscopic theory of Dzyaloshinsky-Moriya interaction in pyrochlore oxides with spin-orbit coupling
Naoya Arakawa
Phys. Rev. B 94, 155139 (2016) - Published 24 October, 2016
Violation of cluster decomposition and absence of light cones in local integer and half-integer spin chains
L. Dell'Anna, O. Salberger, L. Barbiero, A. Trombettoni, and V. E. Korepin
Phys. Rev. B 94, 155140 (2016) - Published 25 October, 2016
Photoemission spectra from reduced density matrices: The band gap in strongly correlated systems
Stefano Di Sabatino, J. A. Berger, Lucia Reining, and Pina Romaniello
Phys. Rev. B 94, 155141 (2016) - Published 25 October, 2016
Lindblad-driven discretized leads for nonequilibrium steady-state transport in quantum impurity models: Recovering the continuum limit
F. Schwarz, M. Goldstein, A. Dorda, E. Arrigoni, A. Weichselbaum, and J. von Delft
Phys. Rev. B 94, 155142 (2016) - Published 27 October, 2016
Energetics of the AK13 semilocal Kohn-Sham exchange energy functional
A. Lindmaa and R. Armiento
Phys. Rev. B 94, 155143 (2016) - Published 27 October, 2016
Laser angle-resolved photoemission as a probe of initial state dispersion, final-state band gaps, and spin texture of Dirac states in the topological insulator
Minna Ärrälä, Hasnain Hafiz, Daixiang Mou, Yun Wu, Rui Jiang, Trevor Riedemann, Thomas A. Lograsso, Bernardo Barbiellini, Adam Kaminski, Arun Bansil, and Matti Lindroos
Phys. Rev. B 94, 155144 (2016) - Published 27 October, 2016
Angle-resolved photoemission spectroscopy (ARPES) is widely used to investigate topological states and their spin textures in topological materials. Here, the authors examine the role of the ARPES matrix element in laser-ARPES spectra, and delineate how imprints of the Dirac states and their spin textures are encoded in these spectra in terms of the character and symmetry of the underlying initial and final states. For this purpose, they collect laser-ARPES spectra from the exemplar topological insulator material BiTe over a wide range of momenta in the -k plane at energies ranging from 5.57–6.70 eV for two different linear polarizations of the incident light. The experimental results are analyzed via first-principles fully relativistic calculations of ARPES intensities within the framework of the one-step model of photoemission. These include effects of the ARPES matrix element from a semi-infinite solid surface. The authors obtain new insight into the nature of the laser-ARPES spectra from topological materials, and show how these spectra contain fingerprints of the initial state dispersions and spin textures of the Dirac-cone states, and how laser-ARPES could open a previously unrecognized window on the presence of delicate gaps in the final-state spectra.
Coulomb and electron-phonon interactions in metals
Igor S. Tupitsyn, Andrey S. Mishchenko, Naoto Nagaosa, and Nikolay Prokof'ev
Phys. Rev. B 94, 155145 (2016) - Published 27 October, 2016
Antagonistic effects of nearest-neighbor repulsion on the superconducting pairing dynamics in the doped Mott insulator regime
A. Reymbaut, M. Charlebois, M. Fellous Asiani, L. Fratino, P. Sémon, G. Sordi, and A.-M. S. Tremblay
Phys. Rev. B 94, 155146 (2016) - Published 27 October, 2016
Effect of polaronic charge transfer on band alignment at the interface
Keith P. McKenna
Phys. Rev. B 94, 155147 (2016) - Published 27 October, 2016
Hourglass fermion surface states in stacked topological insulators with nonsymmorphic symmetry
Motohiko Ezawa
Phys. Rev. B 94, 155148 (2016) - Published 27 October, 2016
Nature of a single doped hole in two-leg Hubbard and ladders
Shenxiu Liu, Hong-Chen Jiang, and Thomas P. Devereaux
Phys. Rev. B 94, 155149 (2016) - Published 28 October, 2016
Thermodynamic and spectral properties of adiabatic Peierls chains
Manuel Weber, Fakher F. Assaad, and Martin Hohenadler
Phys. Rev. B 94, 155150 (2016) - Published 28 October, 2016
Nonequilibrium transport and electron-glass effects in thin films
Z. Ovadyahu
Phys. Rev. B 94, 155151 (2016) - Published 28 October, 2016
Enhancing superconductivity in fullerides
Minjae Kim, Yusuke Nomura, Michel Ferrero, Priyanka Seth, Olivier Parcollet, and Antoine Georges
Phys. Rev. B 94, 155152 (2016) - Published 28 October, 2016
Spin liquid like Raman signatures in the hyperkagome iridate
Satyendra Nath Gupta, P. V. Sriluckshmy, Ashiwini Balodhi, D. V. S. Muthu, S. R. Hassan, Yogesh Singh, T. V. Ramakrishnan, and A. K. Sood
Phys. Rev. B 94, 155153 (2016) - Published 28 October, 2016
Dilatometric study of the metamagnetic and ferromagnetic phases in the triple-layered system
W. Schottenhamel, M. Abdel-Hafiez, R. Fittipaldi, V. Granata, A. Vecchione, M. Hücker, A. U. B. Wolter, and B. Büchner
Phys. Rev. B 94, 155154 (2016) - Published 31 October, 2016
The Ruddlesden Popper series SrRuO contains highly interesting physical phenomena depending on the number of RuO layers in the unit cell, spanning from unconventional superconductivity for the =1 member SrRuO to itinerant ferromagnetism in the infinite-layer system SrRuO. Obviously, the unique interplay between electronic, spin, and lattice degrees of freedom in this group of correlated itinerant electron systems leads to a tremendous change of the physical properties. This is also demonstrated by anisotropic and orbital-dependent magnetism and a strong spin-phonon coupling found in many members within the series. This paper focusses on triple-layer SrRuO, which becomes ferromagnetic at 105 K and shows a metamagnetic transition below 50 K for a magnetic field along the plane. The authors investigate the magnetoelastic properties of this compound as a function of temperature and magnetic field. The high-resolution thermal expansion and magnetostriction measurements indicate a highly anisotropic response with a specific rearrangement of the crystal lattice in fields parallel and perpendicular to the axis. Finally, they reconstruct the - phase diagram, which shows a new feature suggestive of the multiple-orbital character of SrRuO, where both the ferromagnetic () and the metamagnetic orbitals () coexist and interact.
Angle-resolved photoemission observation of Mn-pnictide hybridization and negligible band structure renormalization in and
W.-L. Zhang, P. Richard, A. van Roekeghem, S.-M. Nie, N. Xu, P. Zhang, H. Miao, S.-F. Wu, J.-X. Yin, B. B. Fu, L.-Y. Kong, T. Qian, Z.-J. Wang, Z. Fang, A. S. Sefat, S. Biermann, and H. Ding
Phys. Rev. B 94, 155155 (2016) - Published 31 October, 2016
Probing strong correlations with light scattering: Example of the quantum Ising model
H. M. Babujian, M. Karowski, and A. M. Tsvelik
Phys. Rev. B 94, 155156 (2016) - Published 31 October, 2016






