Related papers: Band structure and electron-phonon coupling in H$_…

The recent observation of magnetization plateaus in rare-earth metallic tetraborides has drawn a lot of attention to this class of materials. In this work, we investigate the electronic structure of one such canonical system…

We use density functional theory methods to study the electronic structures of a series of $s-p$ cubic perovskites $ABX_{3}$: the experimentally available SrBiO$_{3}$, BaBiO$_{3}$, BaSbO$_3$, CsTlF$_{3}$, and CsTlCl$_{3}$, as well as the…

Using the tight-binding model and density functional theory, the topological invariant of the two-dimensional (2D) group III-V and IV-IV compounds are studied in the absence and the presence of an external perpendicular electric field and…

The search for superconductivity with unconventional pairing symmetry has been a central focus in the study of strongly correlated electron systems. In this work, we report a numerically exact study of the spin-triplet pairing in a…

In order to investigate electronic properties of recently discovered heavy fermion superconductors CeTIn$_5$ (T=Ir and Co), we employ the relativistic linear augmented-plane-wave (RLAPW) method to clarify the energy band structures and…

Heterostructures containing strongly correlated electron systems provide a platform to clarify interplay of electron correlation and Rashba spin-orbit coupling in unconventional superconductors. Motivated by recent fabrication of…

The mechanism of spin-phonon coupling in high-T$_C$ copper oxides is explored from band calculations on La$_{(2-x)}$Sr$_x$CuO$_4$ and HgBa$_2$CuO$_4$ systems. The LMTO band calculations, based on the local density approximation, are made…

We propose that spin-triplet pairing mechanism due to disconnected Fermi surfaces proposed in our previous study [Phys. Rev. B {\bf 63} 174507 (2001)] may be at work in a recently discovered superconductor Na$_x$CoO$_2$ $\cdot y$ H$_2$O. We…

Sr2RuO4 is at present the best candidate for being a superconducting analogue of the triplet superfluidity in ^3He. This material is a good (albeit correlated) Fermi liquid in the normal state and an exotic superconductor below Tc. The…

It is known that in pressurized H2S the complex electronic structure in the energy range of 200 meV near the chemical potential can be separated into two electronic components, the first characterized by steep bands with a high Fermi…

We present theoretical and experimental results exploring a half-Heusler compound TmPdSb with unusual band order and metallic surface states. Typically, the half-Heusler systems exhibit topological features in a semimetallic state, and…

In Mott materials strong electron correlation yields a spectrum of complex electronic structures. Recent synthesis advancements open realistic opportunities for harnessing Mott physics to design transformative devices. However, a major…

Band structure of inorganic lead halide perovskites is substantially different from the band structure of group IV, III-V and II-VI semiconductors. However, the standard empirical tight-binding model with sp3d5s* basis gives nearly perfect…

We discuss a microscopic mechanism of the spin-tiplet superconductivity in the quasi-two-dimensional ruthenium oxide Sr2RuO4 on the basis of two-dimensional three-band Hubbard model. We solve the linearized Eliashberg equation by taking…

We have analyzed the ab-initio local density approximation band structure calculations for the family of perovskite oxides, La$M$O$_3$ with $M$=Ti-Ni within a parametrized nearest neighbor tight-binding model and extracted various…

The tin-selenide and tin-sulfide classes of materials undergo multiple structural transitions under high pressure leading to periodic lattice distortions, superconductivity, and topologically non-trivial phases, yet a number of…

The recently discovered layered Kagome metals of composition AV3Sb5 (A = K, Rb, Cs) exhibit a complex interplay among superconductivity, charge density wave order, topologically non-trivial electronic band structure and geometrical…

We investigate the electronic structure and several properties, and topological character, of the cubic time-reversal invariant intermetallic compounds PbPd$_3$ and SnPd$_3$ using density functional theory based methods. These compounds…

In this study, we systematically investigate 3D momentum($\hbar k$)-resolved electronic structures of Ruddlesden-Popper-type iridium oxides Sr$_{n+1}$Ir$_n$O$_{3n+1}$ using soft-x-ray (SX) angle-resolved photoemission spectroscopy (ARPES).…

We report hard x-ray photoemission spectroscopy measurements of the electronic structure of the prototypical correlated oxide SrxCa1-xVO3. By comparing spectra recorded at different excitation energies, we show that 2.2 keV photoelectrons…