Related papers: Superconductivity in MgB2 and TaB2: A Full-Potenti…
The electronic structure of a new charge-density-wave/ superconductor system, 1T-CuxTiSe2, has been studied by photoemission spectroscopy. A correlated semiconductor band structure is revealed for the undoped case. With Cu doping, the…
Heavy carbon doping of MgB$_2$ is studied by first principles electronic structure studies of two types, an ordered supercell (Mg(B$_{1-x}$C$_{x}$)$_{2}$,x=0.0833) and also the coherent potential approximation method that incorporates…
Using scanning tunneling spectroscopy at T = 4.2 K, we perform simultaneously the topographic imaging and the quasiparticle density of states (DOS) mapping in granular MgB2. We observe a new type of spectrum, showing a pronounced double…
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…
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…
The electronic band structure of yttrium sesquicarbide Y2C3(Pu2C3 structural type) reported by Akimitsu et al. (2003) as a novel 18-K superconductor is investigated using the first-principle full-potential LMTO method and compared with…
We have performed ab initio LDA calculations of electronic structure of newly discovered prototype high-temperature superconductors AFe_2As_2 (A=Ba,Sr) and compared it with previously calculated electronic spectra of ReOFeAs…
First principle FLAPW-GGA calculations have been performed with the purpose to understand the peculiarities of band structure and Fermi surface topology for recently discovered superconductor: Sr4V2Fe2As2O - in comparison with isostructural…
The structural, electronic, optical and thermodynamic properties of Mo2Ga2C are investigated using density functional theory (DFT) within the generalized gradient approximation (GGA). The optimized crystal structure is obtained and the…
Based on first-principles FLAPW-GGA calculation, we have investigated electronic structure of newly discovered oxygen-free 38K superconductor Ba1-xKxFe2As2 in comparison with parent phase - tetragonal ternary iron arsenide BaFe2As2. The…
We present a comparative study of our valence band photoemission results on Nb2Pd1.2Se5 and Nb2Pd0.95S5 superconductors which is supported by our DFT based electronic structure calculations. We observe that the VB spectra of both the…
We provide a comparison of accurate full potential band calculations of the Fermi surfaces areas and masses of MgB2 and ZrB2 with the de Haas-van Alphen date of Yelland et al. and Tanaka et al., respectively. The discrepancies in areas in…
The superconducting order parameter and electron-phonon interaction (EPI) in a MgB$_{2}$ c-axis oriented thin film are investigated by point contacts (PCs). Two superconducting gaps $\Delta_{Small}\approx 2.6$ meV and $\Delta_{Large}\approx…
The band structure of alfa-(Per)2M(mnt)2, leads to a description of these materials as nearly perfectly one dimensional conductors. The conduction is mainly along the stacking direction of the partially oxidized perylene molecules,…
Electronic structures of three superconducting rare-earth iron silicides (Lu;Y;Sc)2Fe3Si5 and non-superconducting Lu2Ru3Si5, adopting a tetragonal crystal structure (P4/mnc), have been calculated employing the full-potential local-orbital…
We report electronic structure calculations for BaTi$_2$Sb$_2$O and discuss the results in relation to the observed superconductivity of this material when hole doped with Na. The Fermi surface shows several sheets. These include a nested…
The discovery of superconductivity at 39 K in MgB2[1] raises many issues. One of the central questions is whether this new superconductor resembles a high-temperature-cuprate superconductor or a low-temperature metallic superconductor in…
For the 40K-superconductor MgB2 we have calculated the electronic and phononic structures and the electron-phonon interaction throughout the Brillouin zone ab initio. In contrast to the isoelectronic graphite, MgB2 has holes in the bonding…
This paper discusses the synthesis, characterization, and comprehensive study of Ba-122 single crystals with various substitutions and various $T_c$. The paper uses five complementary techniques to obtain a self-consistent set of data on…
Superconductor-insulator-superconductor tunnel junctions have been fabricated on MgB2 that display Josephson and quasiparticle currents. These junctions exhibit a gap magnitude, Delta~2.5 meV, that is considerably smaller than the BCS…