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In comparison to simpler data such as chemical formulas and lattice structures, electronic band structure data provide a more fundamental and intuitive insight into superconducting phenomena. In this work, we generate superconductor's…

Superconductivity · Physics 2025-05-08 Tengdong Zhang , Chenyu Suo , Yanling Wu , Xiaodan Xu , Yong Liu , Dao-Xin Yao , Jun Li

Band structure unfolding is a key technique for analyzing and simplifying the electronic band structure of large, internally distorted supercells that break the primitive cell's translational symmetry. In this work, we present an efficient…

Materials Science · Physics 2026-02-10 Jingkai Quan , Nikita Rybin , Matthias Scheffler , Christian Carbogno

We present a review of the basic ideas and techniques of the spectral density functional theory which are currently used in electronic structure calculations of strongly-correlated materials where the one-electron description breaks down.…

Strongly Correlated Electrons · Physics 2009-11-11 G. Kotliar , S. Y. Savrasov , K. Haule , V. S. Oudovenko , O. Parcollet , C. A. Marianetti

We present an ab initio study of the electronic stopping power of protons in copper over a wide range of proton velocities $v = 0.02-10~\mathrm{a.u.}$ where we take into account non-linear effects. Time-dependent density functional theory…

Materials Science · Physics 2016-10-12 Edwin E. Quashie , Bidhan C. Saha , Alfredo A. Correa

A one-dimensional quantum wire of Fermions is considered and ground state properties are calculated in the high density regime within the extended quasiparticle picture and Born approximation. Expanding the two-particle Green functions…

Strongly Correlated Electrons · Physics 2025-02-18 Klaus Morawetz , Vinod Ashokan , Kare Narain Pathak , Neil Drummond , Gianaurelio Cuniberti

Disorder in high entropy alloys, arising from the random distribution of multiple elements, plays a crucial role in their novel properties desirable for various advanced engineering applications. We investigate the role of compositional and…

The electronic band structure and Fermi surface of ZrTe_3 was precisely determined by linearly polarized angle-resolved photoelectron spectroscopy. Several bands and a large part of the Fermi surface are found to be split by 100-200 meV…

Strongly Correlated Electrons · Physics 2015-05-13 Moritz Hoesch , Xiaoyu Cui , Kenya Shimada , Corsin Battaglia , Shin-ichi Fujimori , Helmuth Berger

We study the electron-magnon scattering in bulk Fe, Co, and Ni within the framework of many-body perturbation theory implemented in the full-potential linearized augmented-plane-wave method. To this end, a $\mathbf{k}$-dependent self-energy…

Strongly Correlated Electrons · Physics 2019-07-31 Mathias C. T. D. Müller , Stefan Blügel , Christoph Friedrich

First principles density functional calculations of the electronic and magnetic properties of spinel-structure LiV$_{2}$O$_{4}$ have been performed using the full potential linearized augmented planewave method. The calculations show that…

Strongly Correlated Electrons · Physics 2009-10-31 D. J. Singh , P. Blaha , K. Schwarz , I. I. Mazin

Theoretical quest of flat-band tight-binding models usually relies on lattice structures on which electrons reside. Typical examples of candidate lattice structures include the Lieb-type lattices and the line graphs. Meanwhile, there can be…

Materials Science · Physics 2024-11-27 Tomonari Mizoguchi , Mina Maruyama , Yasuhiro Hatsugai , Susumu Okada

We investigated the nonequilibrium electronic structure of 2H-NbSe$_2$ by time- and angle-resolved photoemission spectroscopy. We find that the band structure is distinctively modulated by strong photo-excitation, as indicated by the…

We present the results of self-consistent calculations of the electronic shell and supershell structure for clusters having up to 6000 valence electrons. The ionic background is described in terms of a homogeneous jellium. The calculations…

Condensed Matter · Physics 2009-10-28 Erik Koch , Olle Gunnarsson

Complex materials encompassing different phases of matter can display new photoinduced metastable states differing from those attainable under equilibrium conditions. These states can be realized when energy is injected in the material…

Strongly Correlated Electrons · Physics 2024-06-27 Wibke Bronsch , Manuel Tuniz , Denny Puntel , Alessandro Giammarino , Fulvio Parmigiani , Yang-hao Chan , Federico Cilento

The electronic structure of the heavy fermion compound CeB6 is probed by resonant inelastic soft X-ray scattering using photon energies across the Ce 3d and 4d absorption edges. The hybridization between the localized 4f orbitals and the…

Materials Science · Physics 2012-01-04 M. Magnuson , S. M. Butorin , J. -H. Guo , A. Agui , J. Nordgren , H. Ogasawara , A. Kotani , T. Takahashi , S. Kunii

We study the electronic structure of multilayer graphenes with a mixture of Bernal and rhombohedral stacking and propose a general scheme to understand the electronic band structure of an arbitrary configuration. The system can be viewed as…

Mesoscale and Nanoscale Physics · Physics 2015-06-12 Mikito Koshino , Edward McCann

We present a method to determine the nodal structure of the energy gap of unconventional superconductors such as high $T_c$ materials. We show how nonlinear electrodynamics phenomena in the Meissner regime, arising from the presence of…

Superconductivity · Physics 2009-10-30 Igor Zutic , Oriol T. Valls

This article is a review o over theory of superconductivity, which is constructed for systems with two overlapping energy bands at the Fermi surface and with arbitrary charge carrier density.There is taken into account all possible kinds of…

Superconductivity · Physics 2007-05-23 M. E. Palistrant

The band structure and the Fermi surface of the recently discovered superconductor (EMIM)$_x$FeSe are studied within the density functional theory in the generalized gradient approximation. We show that the bands near the Fermi level are…

Superconductivity · Physics 2022-03-28 L. V. Begunovich , M. M. Korshunov

The electron-electron interactions affect the low-energy excitations of an electronic system and induce deformations of the Fermi surface. These effects are especially important in anisotropic materials with strong correlations, such as…

Strongly Correlated Electrons · Physics 2007-10-30 R. Roldan , M. P. Lopez-Sancho , F. Guinea , S. -W. Tsai

We use scanning tunneling spectroscopy to investigate the filled and empty electronic states of superconducting single-unit-cell FeSe deposited on SrTiO$_3$(001). We map the momentum-space band structure by combining quasiparticle…