Related papers: Superconductivity in MgB2 and TaB2: A Full-Potenti…
We present the results of fully-relaxed, full-potential electronic structure calculations for the new superconductor MgB2, and BeB2, NaB2, and AlB2, using density-functional-based methods. Our results described in terms of (i) density of…
By means of density functional theory the electronic structure of the MgB2 superconductor was characterised and compared with that of the related iso-structural systems: AlB2, ZrB2, NbB2, and TaB2. Using the full-potential linearized…
The band structure and the Fermi surface of hexagonal diborides ZrB2, VB2, NbB2, TaB2 have been studied by the self-consistent full-potential LMTO method and compared with those for the isostructural superconductor MgB2. Factors responsible…
We present electronic structure calculations together with resistivity, susceptibility, and specific heat measurements for TaB$_2$ to search for the recently contradictorily reported superconductivity and to study related normal state…
First principles FLMTO-GGA electronic structure calculations of the new medium-$T_C$ superconductor (MTSC) $MgB_2$ and related diborides indicate that superconductivity in these compounds is related to the the existence of $p_{x,y}$-band…
The study of the anisotropic superconductor MgB2 using a combination of scanning tunneling microscopy and spectroscopy reveals two distinct energy gaps at Delta1=2.3 meV and Delta2=7.1 meV. Different spectral weights of the partial…
In present study, we report an inter-comparison of various physical and electronic properties of MgB2 and AlB2. Interestingly, the sign of S(T) is +ve for MgB2 the same is -ve for AlB2. This is consistent our band structure plots. We fitted…
Energy band structures are calculated for the new superconductor MgB$_2$ and the related compounds by using the LDA and an FLAPW method. It is found that the strong three dimensional network in low-lying $\pi$ bands brings about two…
We report a detailed study of the electronic and structural properties of the 39K superconductor \mgbtwo and of several related systems of the same family, namely \mgalbtwo, \bebtwo, \casitwo and \cabesi. Our calculations, which include…
The theory of thermodynamic properties of two-band superconductor with reduced density charge carriers is developed on the base of phonon superconducting mechanism with strong electron-phonon interaction. This theory is adapted to describe…
This paper presents the comparative study of LDA calculated electronic structure of new isostructural to iron based systems superconductors (Sr,Ca)Pd2As2 with Tc about 1K and similar but structurally different system BaPd2As2. Despite…
We report the electronic structure and related properties of the superconductor Ta2PdSe5 as determined from density functional calculations. The Fermi surface has two disconnected sheets, both derived from bands of primarily chalcogenide p…
The electronic band structures of the new superconducting (with T_c up to 7.7K) ternary silicides M(A_{0.5}Si_{0.5})_2 (M= Ca, Sr, Ba; A= Al, Ga) in the AlB_2-type structure have been investigated using the full-potential LMTO method. The…
Soft X-ray absorption and emission measurements are performed for the K- edge of B in MB$_2$ (M=Mg, Al, Ta and Nb). Unique feature of MgB$_2$ with a high density of B 2$p_{xy}(\sigma)$-state below and above the Fermi edge, which extends to…
We report first-principles calculations of the k- and T-dependent superconducting gap Delta(k,T) in MgB2 and its manifestation in various measured quantities. Because the Fermi surface has disconnected sheets with different electron-phonon…
We review the current situation in the theory of superconducting and transport properties of MgB2. First principle calculations of of the electronic structure and electron-phonon coupling are discussed and compared with the experiment. We…
Li2Pd3B is known to be superconducting, while the isotypical Li2Pt3B compound is not. Electronic structures of Li2Pd3B and Li2Pt3B have been calculated in order to obtain an insight into this surprising difference, through an analysis of…
We performed an extensive investigation on the correlations among superconductivity, structural instability and band filling in Nb1-xB2 materials. Structural measurements reveal that a notable phase transformation occurs at x=0.2,…
By means of the first-principles calculations, we have studied in details the structural, elastic and electronic properties of the new tetragonal CaBe2Ge2-type 5.2K superconductor SrPt2As2 in comparison with two hypothetical SrPt2As2…
The structural properties of MgB2 superconductors have been analyzed by means of convergent-beam electron diffraction, high-resolution transmission-electron microscopy, and theoretical simulations. The MgB2 crystal has been identified to…