相关论文: Quasiparticles in Iron Silicides: GW versus LDA

First-principles calculations within the weighted density approximation (WDA) were performed for ground state properties of ferroelectric perovskites PbTiO$_3$, BaTiO$_3$, SrTiO$_3$, KNbO$_3$ and KTaO$_3$. We used the plane-wave…

Detailed 57Fe Mossbauer spectroscopy measurements on superconducting NaFeAs powder samples have been performed in the temperature range 13 K < T < 300 K. The 57Fe spectra recorded in the paramagnetic range (T > TN ~ 46 K) were discussed…

Previous ARPES experiments in NaxCoO2 reported both a strongly renormalized bandwidth near the Fermi level and moderately renormalized Fermi velocities, leaving it unclear whether the correlations are weak or strong and how they could be…

Using both two orbital and five orbital models, we investigate the quasiparticle interference (QPI) patterns in the superconducting (SC) state of iron-based superconductors. We compare the results for nonmagnetic and magnetic impurities in…

Fully understanding the properties of n-type ferromagnetic semiconductors (FMSs), complementary to the mainstream p-type ones, is a challenging goal in semiconductor spintronics because ferromagnetism in n-type FMSs is theoretically…

We report quasiparticle properties of the half-metal ferromagnet CrO2 by means of high-resolution angle-resolved photoemission spectroscopy (ARPES). We clearly observed the Fermi surface (FS) and band dispersion in good agreement with the…

The polarization dependence of the near edge x-ray absorption spectroscopy (XANES) is an element specific probe to the real-space distribution of the density of unoccupied states in solid-state materials. In this paper, we present Fe and As…

We study the interlayer pairing states in layered systems of two different 2d electronic subsystems, one with relativistic linear and the other with non-relativistic parabolic spectrum. The complex order parameter of the paired state has a…

3D Dirac semimetals with square-net non-symmorphic symmetry, such as ternary ZrXY (X=Si, Ge; Y=S, Se, Te) compounds, have attracted significant attention owing to the presence of topological nodal lines, loops, or networks in their bulk.…

Motivated by the recently synthesized two-dimensional semiconducting MoSi$_2$N$_4$, we systematically investigate the quasiparticle band alignment and exciton in monolayer MA$_2$Z$_4$ (M = Mo, W, Ti; A= Si, Ge; Z = N, P, As) using ab initio…

Angle-resolved photoemission spectroscopy (ARPES) -- with its exceptional sensitivity to both the binding energy and momentum of valence electrons in solids -- provides unparalleled insights into the electronic structure of quantum…

Spectral functions measured with angle-resolved photoemission spectroscopy (ARPES) provide key insight to elucidate the band structure of materials. Comparison with theory requires computing dynamical one-point functions in some equilibrium…

For more than three decades, nearly free electron elemental metals have been a topic of debate because the computed bandwidths are significantly wider in the local density approximation to density-functional theory (DFT) than indicated by…

We investigate the electronic structure of AgF2, AgFBF4, AgF and Ag2O using X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS) at the Ag L3 edge. XAS results were compared with density functional theory…

We have performed an angle-resolved photoemission study of the iron pnictide superconductor KFe2As2 with Tc 4 K. Most of the observed Fermi surfaces show almost two-dimensional shapes, while one of the quasi-particle bands near the Fermi…

The bulk electronic structure of Al-Pd-Ru quasicrystal (QC) have been investigated by hard X-ray photoemission spectroscopy (HAXPES). We have found an intrinsic pseudogap structure in which the spectral weight in the vicinity of the Fermi…

For semiconductors used in photovoltaic devices, the effective mass approximation allows calculation of important material properties from first-principles calculations, including optical properties (e.g. exciton binding energies), defect…

Deviations of low-energy electronic structure of iron-based superconductors from density functional theory predictions have been parametrized in terms of band- and orbital-dependent mass renormalizations and energy shifts. The former have…

3D Dirac semimetals are an emerging class of materials that possess topological electronic states with a Dirac dispersion in their bulk. In nodal-line Dirac semimetals, the conductance and valence bands connect along a closed path in…

Using a maximum entropy technique within a finite band Eliashberg formalism we extract from recent high accuracy nodal direction angular resolved photo-emission spectroscopy (ARPES) data in optimally doped Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$…