相关论文: First-principles study of electronic structure of …

The iron-based LaFeAsO$_{1-x}$F$_x$ recently discovered by Hosono's group is a fresh theoretical challenge as a new class of high-temperature superconductors. Here we describe the electronic structure of the material and the mechanism of…

We report an optical spectroscopy study on the single crystal of Na$_2$Ti$_2$As$_2$O, a sister compound of superconductor BaTi$_2$Sb$_2$O. The study reveals unexpectedly two density wave phase transitions. The first transition at 320 K…

We investigate the electronic structure of CaFe$_2$As$_2$ using high resolution photoemission spectroscopy. Experimental results exhibit three energy bands crossing the Fermi level making hole pockets around the $\Gamma$-point. Temperature…

Determining the electronic structure of La$_3$Ni$_2$O$_7$ is an essential step towards uncovering their superconducting mechanism. It is widely believed that the bilayer apical oxygens play an important role in the bilayer La$_3$Ni$_2$O$_7$…

Pursuing higher-temperature superconductors under ambient pressure continues to be a prominent topic in materials discovery. Isomorphic structures like MgB2 exhibit potential for conventional BCS-type superconductivity, but their transition…

The electronic structures of ThCr$_2$Si$_2$ structure BaCu$_2$As$_2$ and SrCu$_2$As$_2$ are investigated using density functional calculations. The Cu $d$ orbitals are located at 3 eV and higher binding energy, and are therefore chemically…

Hexagonally deformed Fermi surfaces and strong nesting, found in topological insulators (TIs) such as $Bi_2Se_3$ and $Bi_2Te_3$, have led to several predictions of the existence of Density Wave order in these systems. Recent evidence for…

We have performed high-resolution angle-resolved photoemission spectroscopy on the optimally-doped Ba$_{0.6}$K$_{0.4}$Fe$_2$As$_2$ compound and determined the accurate momentum dependence of the superconducting (SC) gap in four…

The HfV$_2$Ga$_4$ compound was recently reported to exhibit unusual bulk superconducting properties, with the possibility of multiband behavior. To gain insight into its properties, we performed ab-initio electronic structure calculations…

Recently, new FeAs based high-temperature superconductors CaAFe4As4 (A=K, Rb, Cs) with a layered tetragonal crystal structure were synthesized (TC ~ 30 K). In this Letter, we report for the first time the band structures, Fermi surface…

The three-dimensional (3D) electronic structure of the hidden order compound URu$_2$Si$_2$ in a paramagnetic phase was revealed using a 3D angle-resolved photoelectron spectroscopy where the electronic structure of the entire Brillouin zone…

We perform a first principles band calculation for a group of quasi-two-dimensional organic conductors \beta-(BDA-TTP)2MF6 (M=P, As, Sb, Ta). The ab-initio calculation shows that the density of states (DOS) is correlated with the band width…

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…

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…

First-principles calculations were performed to investigate electronic and elastic properties of the newly discovered 7.5K superconductor: layered Nb2InC. As a result, electronic bands, total and site-projected l- decomposed DOS at the…

In this present study, the pseudopotential plane-wave (PP-PW) pathway in the scheme of density functional theory (DFT) is utilized to investigate the various physical properties on (Ba0.82K0.18)(Bi0.53Pb0.47)O3 (BKBPO) single perovskite…

We investigate the electronic structure and Fermi surface of Co$_{1/3}$TaS$_2$ using angle-resolved photoemission spectroscopy (ARPES) combined with theoretical modeling beyond standard density functional theory (DFT+U). A shallow electron…

We report the electrical resistivity measurements under pressure for the recently discovered BiS2-based layered superconductors Bi4O4S3 and La(O,F)BiS2. In Bi4O4S3, the transition temperature Tc decreases monotonically without a distinct…

We show, by use of angle-resolved photoemission spectroscopy, that underdoped Bi_2Sr_2CaCu_2O_{8+\delta} appears to have a large Fermi surface centered at (\pi,\pi), even for samples with a T_c as low as 15 K. No clear evidence of a Fermi…

Understanding the mechanism of high transition temperature (Tc) superconductivity in cuprates has been hindered by the apparent complexity of their multilayered crystal structure. Using a cryogenic scanning tunneling microscopy, we report…