Related papers: Electronic structure of Li2Pd3B and Li2Pt3B
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…
Structural and optoelectronic properties of BaThO3 cubic perovskite are calculated using all electrons full potential linearized augmented plane wave (FP-LAPW) method. Wide and direct band gap, 5.7 eV, of the compound predicts that it can…
High resolution angle resolved photoemission measurements and band structure calculations are carried out to study the electronic structure of BaMnSb$_2$. All the observed bands are nearly linear that extend to a wide energy range. The…
Fe-based superconductors have drawn much attention during the last decade due to the finding of superconductivity in materials containing the magnetic element, Fe, and the coexistence of superconductivity & magnetism. Extensive study of the…
Electronic structures of superconducting Re24Nb5 and Re24Ti5 have been calculated employing the full-potential local-orbital method within the density functional theory. The investigations were focused on the influence of the antisymmetric…
We present the results of a new Hubbard model for optimally doped LaSrCuO. This model uses parameters derived from BLYP calculations on the cluster CuO6. It explicitly includes the Cu dx2-y2 and dz2 orbitals, the O psigma orbitals, and the…
The electronic structure of the nanolaminated transition metal carbide Ti2AlC has been investigated by bulk-sensitive soft x-ray emission spectroscopy. The measured Ti L, C K and Al L emission spectra are compared with calculated spectra…
We investigate the structural, electronic, and superconducting properties of a hexagonal BP3 monolayer using first-principles calculations combined with anisotropic Migdal-Eliashberg theory. The optimized structure exhibits a stable,…
The multiband nature of iron-pnictide superconductors is one of the keys to the understanding of their intriguing behavior. The electronic and magnetic properties heavily rely on the multiband interactions between different electron and…
The full-potential linearized augmented plane wave method with the generalized gradient approximation for the exchange-correlation potential (FLAPW-GGA) is used to predict the electronic and elastic properties of the newly discovered…
The electronic structures of UX$_3$ (X=Al, Ga, and In) were studied by photoelectron spectroscopy to understand the relationship between their electronic structures and magnetic properties. The band structures and Fermi surfaces of UAl$_3$…
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…
Spin-filtered time-of-flight photoelectron momentum microscopy reveals a systematic variation of the band structure within a series of highly spin-polarized ferromagnetic Heusler compounds with increasing number of valence electrons…
We present a combined study of the electronic structure of the superconducting skutterudite derivative SrPt4Ge12 by means of X-ray photoelectron spectroscopy and full potential band structure calculations including an analysis of the…
We study the role of electron correlations among Co 3d electrons contributing to the conduction band of a Kondo lattice compound, Ce2CoSi3, using high resolution photoemission spectroscopy and ab initio band structure calculations.…
We report electronic band structure calculations for Sr$_{4}$Ru$_{3}$O$_{10}$ that displays both ferromagnetic and metamagnetic behavior. The density functional calculations find the ground state to be ferromagnetic in agreement with the…
By means of first-principles calculations, the electronic structure and chemical bonding for the recently discovered tetragonal (s.g. P4/n; # 85) superconducting (Tc ~ 25K) phase Ca10(Pt4As8)(Fe2As2)5 have been examined in details, and the…
We demonstrate the effect of bandstructure on the superconducting properties of Pb by calculating the strong-coupling features in the optical conductivity, $\sigma(\omega)$, due to the electron-phonon interaction. The importance of momentum…
Low energy electronic structure of optimally doped YBa2Cu3O7-d is investigated using laser-excited angle-resolved photoemission spectroscopy. The surface state and the CuO chain band that usually overlap the CuO2 plane derived bands are not…
We construct minimal electronic models for a newly discovered superconductor LaO$_{1-x}$F$_x$BiS$_2$ ($T_c=$ 10.6K) possessing BiS$_2$ layers based on first principles band calculation. First, we obtain a model consisting of two Bi $6p$ and…