相关论文: Comparative experimental and Density Functional Th…

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…

We present a first principles investigation of the lattice dynamics and electron-phonon coupling of the superconductor MgB_2 and the isostructural AlB_2 within the framework of density functional perturbation theory using a mixed-basis…

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…

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 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…

We present a comparison of electronic structure of MgB2 and TaB2, the two new superconductors, as well as VB2, calculated using full-potential, density- functional-based methods in P6/mmm crystal structure. Our results, described in terms…

We report on the temperature dependence of the quasiparticle density of states (DOS) in the simple binary compound MgB2 directly measured using scanning tunneling microscope (STM). To achieve high quality tunneling conditions, a small…

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…

Based on electronic structure calculations, we have found that noble metal diborides, AgB2 and AuB2, are potential candidates for conventional BCS-type high temperature superconductors. B 2p density of states dominates at the Fermi level 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…

We report on measurements of the specific heat of the recently discovered superconductor MgB$_2$ in the temperature range between 3 and 220 K. Based on a modified Debye-Einstein model, we have achieved a rather accurate account of the…

Point-contact spectroscopy measurements on magnesium diboride reveal the existence of two superconducting energy gaps closing at the same transition temperature in line with the multiband model of superconductivity. The sizes of the two…

We report first-principles calculations on the normal and superconducting state of CaBe(x)Si(2-x) (x=1), in the framework of density functional theory for superconductors (SCDFT). CaBeSi is isostructural and isoelectronic to MgB2 and this…

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…

The specific heat C of a sintered polycrystalline sample of MgB2 with a bulk superconducting transition temperature Tc=36.7 K is measured as a function of the temperature (2-300 K) and magnetic field (0-16 T), together with magnetic…

The specific heat of two polycrystalline samples of MgB_2 is presented and analyzed (2 - 300 K, 0 - 16 T), together with magnetic properties. The main characteristics are a low density of states at the Fermi level, high phonon frequencies,…

We report on the synthesis and measurements of the temperature dependence of resistivity, R(T), the penetration depth, l(T), and upper critical magnetic field, Hc2(T), for polycrystalline samples of dodecaboride ZrB12 and diboride MgB2. We…

We report synthesis, structure/micro-structure, resistivity under magnetic field [R(T)H], Raman spectra, thermoelectric power S(T), thermal conductivity K(T), and magnetization of ambient pressure argon annealed polycrystalline bulk samples…

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…

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…