Recent Articles

Electronic instabilities of the extended Hubbard model on the honeycomb lattice from functional renormalization

Yanick Volpez, Daniel D. Scherer, and Michael M. Scherer

Phys. Rev. B 94, 165107 (2016) - Published 5 October, 2016

Modular transformations through sequences of topological charge projections

Maissam Barkeshli and Michael Freedman

Phys. Rev. B 94, 165108 (2016) - Published 5 October, 2016

Cubic scaling GW: Towards fast quasiparticle calculations

Peitao Liu, Merzuk Kaltak, Jiří Klimeš, and Georg Kresse

Phys. Rev. B 94, 165109 (2016) - Published 5 October, 2016

The GW method is the standard method for predicting quasiparticle energies as measured in experimental photoemission spectroscopy. Until recently, routine GW calculations have been restricted to fairly small systems and few k points for sampling the Brillouin zone, since the computational demand usually scales quartic with the number of atoms and quadratic with the number of k points. The original work of Lars Hedin suggests that one can do better by calculating the self-energy as Σ(1,2)=iG(1,2)W(1,2) – the equation that coined the phrase ”GW”. Here, G is the one-particle Green’s function and W the screened interaction between the electrons. Using this relation directly in computations brings the scaling down to linear in the number of k points and cubic in the number of atoms. Although this approach has been used in the past by others, in this work its full potential is unveiled by implementing it in a massively parallel code and adopting it to the projector augmented wave method. This makes GW calculations as convenient as calculations based on local density functionals and allows for calculations for hundred atoms in few hours.

Exciton and trion dynamics in atomically thin MoSe2 and WSe2: Effect of localization

T. Godde, D. Schmidt, J. Schmutzler, M. Aßmann, J. Debus, F. Withers, E. M. Alexeev, O. Del Pozo-Zamudio, O. V. Skrypka, K. S. Novoselov, M. Bayer, and A. I. Tartakovskii

Phys. Rev. B 94, 165301 (2016) - Published 5 October, 2016

Nonlinear coda wave analysis of hysteretic elastic behavior in strongly scattering media

M. Ait Ouarabi, F. Boubenider, A. S. Gliozzi, and M. Scalerandi

Phys. Rev. B 94, 134103 (2016) - Published 4 October, 2016

Magnetostriction-driven ground-state stabilization in 2H perovskites

D. G. Porter, M. S. Senn, D. D. Khalyavin, A. Cortese, N. Waterfield-Price, P. G. Radaelli, P. Manuel, H.-C. zur-Loye, C. Mazzoli, and A. Bombardi

Phys. Rev. B 94, 134404 (2016) - Published 4 October, 2016

Direct evidence for suppression of the Kondo effect due to pure spin current

K. Hamaya, T. Kurokawa, S. Oki, S. Yamada, T. Kanashima, and T. Taniyama

Phys. Rev. B 94, 140401(R) (2016) - Published 4 October, 2016

Anomalous Thouless energy and critical statistics on the metallic side of the many-body localization transition

Corentin L. Bertrand and Antonio M. García-García

Phys. Rev. B 94, 144201 (2016) - Published 4 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

Erratum: Optical transition energies of isolated molecular monomers and weakly interacting two-dimensional aggregates [Phys. Rev. B 93, 165426 (2016)]

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

Phys. Rev. B 94, 159901 (2016) - Published 4 October, 2016

Lattice-induced transparency in planar metamaterials

Manukumara Manjappa, Yogesh Kumar Srivastava, and Ranjan Singh

Phys. Rev. B 94, 161103(R) (2016) - Published 4 October, 2016

Experimental evidence of Tc enhancement without the influence of spin fluctuations: NMR study on LaFeAsO1−xHx under a pressure of 3.0 GPa

N. Kawaguchi, N. Fujiwara, S. Iimura, S. Matsuishi, and H. Hosono

Phys. Rev. B 94, 161104(R) (2016) - Published 4 October, 2016

Anion effects on electronic structure and electrodynamic properties of the Mott insulator κ−(BEDT−TTF)2Ag2(CN)3

M. Pinterić, P. Lazić, A. Pustogow, T. Ivek, M. Kuveždić, O. Milat, B. Gumhalter, M. Basletić, M. Čulo, B. Korin-Hamzić, A. Löhle, R. Hübner, M. Sanz Alonso, T. Hiramatsu, Y. Yoshida, G. Saito, M. Dressel, and S. Tomić

Phys. Rev. B 94, 161105(R) (2016) - Published 4 October, 2016

Hexagonal structure of phase III of solid hydrogen

Bartomeu Monserrat, Richard J. Needs, Eugene Gregoryanz, and Chris J. Pickard

Phys. Rev. B 94, 134101 (2016) - Published 3 October, 2016

Pressure effect on hydrogen tunneling and vibrational spectrum in α-Mn

A. I. Kolesnikov, A. Podlesnyak, R. A. Sadykov, V. E. Antonov, M. A. Kuzovnikov, G. Ehlers, and G. E. Granroth

Phys. Rev. B 94, 134301 (2016) - Published 3 October, 2016

Applicability of scaling behavior and power laws in the analysis of the magnetocaloric effect in second-order phase transition materials

Carlos Romero-Muñiz, Ryo Tamura, Shu Tanaka, and Victorino Franco

Phys. Rev. B 94, 134401 (2016) - Published 3 October, 2016

Spin reorientation, magnetization reversal, and negative thermal expansion observed in RFe0.5Cr0.5O3 perovskites (R=Lu,Yb,Tm)

Fernando Pomiro, Rodolfo D. Sánchez, Gabriel Cuello, Antoine Maignan, Christine Martin, and Raúl E. Carbonio

Phys. Rev. B 94, 134402 (2016) - Published 3 October, 2016

Insight into the antiferromagnetic structure manipulated by electronic reconstruction

B. Cui, F. Li, C. Song, J. J. Peng, M. S. Saleem, Y. D. Gu, S. N. Li, K. L. Wang, and F. Pan

Phys. Rev. B 94, 134403 (2016) - Published 3 October, 2016

Quantum critical behavior of the superfluid-Mott glass transition

Thomas Vojta, Jack Crewse, Martin Puschmann, Daniel Arovas, and Yury Kiselev

Phys. Rev. B 94, 134501 (2016) - Published 3 October, 2016

Surface electronic structure and evidence of plain s-wave superconductivity in (Li0.8Fe0.2)OHFeSe

Y. J. Yan, W. H. Zhang, M. Q. Ren, X. Liu, X. F. Lu, N. Z. Wang, X. H. Niu, Q. Fan, J. Miao, R. Tao, B. P. Xie, X. H. Chen, T. Zhang, and D. L. Feng

Phys. Rev. B 94, 134502 (2016) - Published 3 October, 2016

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