相关论文: Energy bandstructures of MgB2 and the related comp…
The electronic properties of $\pi$-conjugated two-dimensional (2D) polymers near the Fermi level are determined by structural topology and chemical composition. Thus, tight-binding (TB) calculations of the corresponding fundamental network…
We use density functional theory to calculate the electronic band structures, cohesive energies, phonon dispersions, and optical absorption spectra of two-dimensional In$_2$X$_2$ crystals, where X is S, Se, or Te. We identify two…
The contributions of the covalent bond energies of various atom pairs to the cohesive energy of MgB2 and AlB2 are analysed with a variant of our recently developed energy-partitioning scheme for the density-functional total energy. The…
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 electronic structure of ThPd$_2$Al$_3$, which is isostructural to the heavy fermion superconductor UPd$_2$Al$_3$, was investigated by photoelectron spectroscopy. The band structure and Fermi surfaces of ThPd$_2$Al$_3$ were obtained by…
Resonances in the superconducting properties, in a regime of crossover from BCS to mixed Bose-Fermi superconductivity, are investigated in a two-band superconductor where the chemical potential is tuned near the band edge of the second…
In this letter we present band gaps of II-VI semiconductors, calculated by the full potential linearized augmented plane wave (FP-LAPW) method with the modified Becke-Johnson (mBJ) potential. The accuracy of the calculated results is…
In the presence of multiple bands, well-known electronic instabilities may acquire new complexity. While multiband superconductivity is the subject of extensive studies, the possibility of multiband charge density waves (CDWs) has been…
Superconductivity in alkali-intercalated iron selenide, with T_c's of 30K and above, may have a different origin than that of the other Fe-based superconductors, since it appears that the Fermi surface does not have any holelike sheets…
Two-dimensional semiconductor-superconductor heterostructures form the foundation of numerous nanoscale physical systems. However, measuring the properties of such heterostructures, and characterizing the semiconductor in-situ is…
Measurements of the $^2$H($^{16}$C,$^{16}$C$^{*}$$\rightarrow^4$He+$^{12}$Be or $^6$He+$^{10}$Be)$^2$H inelastic excitation and cluster-decay reactions have been carried out at a beam energy of about 23.5 MeV/u. A specially designed…
The results of the ab initio FLAPW-GGA calculations of the band structure of the newly synthesized tetragonal (space group P4/nmm) layered iron phosphide-oxide: 17K superconductor Sr4Sc2Fe2P2O6 are presented. For Sr4Sc2Fe2P2O6 the optimized…
We apply the generalized two-band model of superconductivity to calculate the electronic contribution to the specific heat, superconducting gaps and electron-boson coupling constants of the multi-band layered superconductors MgB2 and…
We have examined theoretically the electronic band structure and Fermi surface of tetragonal low-temperature superconductor Bi2Pd. Our main results are that (i) the Pd 4d and Bi 6p states determine the main peculiarities of the…
Based on the experimentally found existence of two gaps in MgB2 (one gap associated to the boron sigma-states and the other to the boron pi-states), the different contributions to the transport properties, electrical conductivity and Hall…
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…
Electronic structures of a superconductor without inversion symmetry, LaPdSi3, and its non-superconducting counterpart, LaPdGe3, have been calculated employing the full-potential local-orbital method within the density functional theory.…
We study the electronic structure of a new type of Fibonacci superlattice based on Si $\delta$-doped GaAs. Assuming that $\delta$-doped layers are equally spaced, quasiperiodicity is introduced by selecting two different donor…
We present a detailed electronic structure study of the non-centrosymmetric superconductor BiPd based on our angle resolved photoemission spectroscopy (ARPES) measurements and Density Functional Theory (DFT) based calculations. We observe a…
X-ray absorption spectroscopy and optical reflectance measurements have been carried out to elucidate the evolution of the electronic structure in (Mg$_{1-x}$Al$_{x}$)B$_{2}$ for $\emph{x}$ = 0.0,0.1, 0.2, 0.3, and 0.4. The important role…