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

In this paper, we investigate the topological properties of ZrRuP and ScPd$_{3}$ using the first-principles calculations. We calculate the electronic structure, surface states, and Z$_{2}$ topological invariant. The band structure of ZrRuP…

We study the Hubbard model on the honeycomb lattice with nearest-neighbor hopping ($t>0$) and next-nearest-neighbor one ($t'<0$). When $t'<-t/6$, the single-particle spectrum is featured by the continuously distributed Van-Hove saddle…

We report on the interplay between a van Hove singularity and a charge density wave state in 2H-TaSe$_{2}$. We use angle-resolved photoemission spectroscopy to investigate changes in the Fermi surface of this material under surface doping…

Charge and spin-Peierls instabilities in quarter-filled (n=1/2) compounds consisting of coupled ladders and/or zig-zag chains are investigated. Hubbard and t-J models including local Holstein and/or Peierls couplings to the lattice are…

Modeling the spin-triplet superconductor Sr2RuO4 through a three-orbital tight-binding model we investigate topological properties and edge states assuming chiral p-wave pairing. In concordance with experiments the three Fermi surfaces…

The saddle point (van Hove singularity) exhibits a divergent density of states in 2D systems, leading to fascinating phenomena like strong correlations and unconventional superconductivity, yet it is seldom observed in 3D systems. In this…

The low-energy electronic structure, including the Fermi surface topology, of the itinerant metamagnet Sr$_{4}$Ru$_{3}$O$_{10}$ is investigated for the first time by synchrotron-based angle-resolved photoemission. Well-defined quasiparticle…

We carry out a systematic study of the electronic and magnetic structure of the ambient-pressure bilayer La$_3$Ni$_2$O$_7$. Employing the hybrid exchange-correlation functional, we show that the exchange-correlation pushes the bonding…

We have performed x-ray photoemission spectroscopy on the system of noncentrosymmetric superconductor, Li$_2$(Pd$_x$Pt$_{1-x}$3)B. For Li$_2$Pt$_3$B, we found 2 major peaks with 2 other weak components, and the band calculations were in…

With density functional theory plus dynamical mean-field theory, we study the influence of Hund's coupling on the nature of electronic correlations in $\mathrm{Sr_2CoO_4}$. Our results suggest strong signatures of Hund's metal physics in…

Upon thermal annealing at or above room temperature (RT) and high pressure $\it P$ $\sim$ 155 GPa, H$_3$S exhibits superconductivity at $\it T_C$ $\sim$ 200 K. Various theoretical frameworks with strong electron-phonon coupling and Coulomb…

Motivated by the recent finding of superconductivity in layered CoO_2 compounds, we investigate superconducting and magnetic instabilities of interacting electrons on the two-dimensional triangular lattice. Using a one-loop renormalization…

We have performed an in situ angle-resolved photoemission spectroscopy (ARPES) on single-crystal surfaces of La$_{0.6}$Sr$_{0.4}$MnO$_{3}$ (LSMO) thin films grown on SrTiO$_{3}$ (001) substrates by laser molecular beam epitaxy, and…

A full-zone 30-band $k$$\cdot$$p$ model is developed as an efficient and reliable tool to compute electronic band structure in Ge$_{1-x}$Sn$_{x}$ alloy. The model was first used to reproduce the electronic band structures in Ge and…

We consider a chain described by a next-nearest-neighbor hopping combined with a nearest-neighbor spin flip. In two dimensions this three-body term arises from a mapping of the three-band Hubbard model for CuO$_2$ planes to a generalized…

We report the theoretical discovery of a large class of 2D tight-binding models containing nearly-flat bands with nonzero Chern numbers. In contrast with previous studies, where nonlocal hoppings are usually required, the Hamiltonians of…

We quantify the accuracy of different non-self-consistent and self-consistent spin-orbit coupling (SOC) treatments in Kohn-Sham and hybrid density-functional theory by providing a band structure benchmark set for the valence and low-lying…

We report on the observation of a high-density, band insulating state in a three-dimensional optical lattice clock. Filled with a nuclear-spin polarized degenerate Fermi gas of 87Sr, the 3D lattice has one atom per site in the ground…

A Fermi-liquid (FL) with spin-orbit coupling (SOC) supports a special type of collective modes--chiral spin waves--which are oscillations of magnetization even in the absence of the external magnetic field. We study the chiral spin waves of…

We present a study of the lattice dynamical properties of superconducting SrPt$_3$P ($T_c = 8.4$ K) via high-resolution inelastic x-ray scattering (IXS) and ab initio calculations. Density functional perturbation theory including spin-orbit…