Related papers: Electronic Structure of Superconducting Ba6c60
We explore both experimental and theoretical aspects of the superconducting properties in the distinctive layered caged compound, Ba$_{3}$Ir$_{4}$Ge$_{16}$. Our approach integrates muon spin rotation and relaxation ($\mu$SR) measurements…
Li4C60, one of the best representatives of lithium intercalated fullerides, features a novel type of 2D polymerization. Extensive investigations, including laboratory x-ray and synchrotron radiation diffraction, 13C NMR, MAS and Raman…
We present scanning tunneling microscopy and spectroscopy of the newly discovered superconductor CaC$_6$. The tunneling conductance spectra, measured between 3 K and 15 K, show a clear superconducting gap in the quasiparticle density of…
Density functional calculations of the electronic structure are used to elucidate the bonding of Li$_3$AlH$_6$. It is found that this material is best described as ionic, and in particular that the [AlH$_6$]$^{3-}$ units are not reasonably…
Topological insulators give rise to exquisite electronic properties due to their spin-momentum locked Dirac-cone-like band structure. Recently, it has been suggested that the required opposite parities between valence and conduction band…
The electronic structure in the new transition metal carbide Ti4SiC3 has been investigated by bulk-sensitive soft x-ray emission spectroscopy and compared to the well-studied Ti3SiC2 and TiC systems. The measured high-resolution Ti L, C K…
Exploration of superconductivity in light element compounds has drawn considerable attention because those materials can easily realize the high $T_{c}$ superconductivity, such as ${\mathrm{LnNi}}_{2}{\mathrm{B}_{2}}{\mathrm{C}}$ ($T_{c}$…
We report calculations of the electronic structure of CaB$_6$ using the weighted density approximation (WDA) to density functional theory. We find a semiconducting band structure with a sizable gap, in contrast to local density…
There has been a long-standing debate about the mechanism of the unusual superconductivity in alkali-intercalated fulleride superconductors. In this work, using high-resolution angle-resolved photoemission spectroscopy, we systematically…
The binding energy of A3C60, a conductor, is described well by an ionic solid type calculation. This succeeds because there is little overlap between molecular wave functions on neighbouring sites, so that electrons are practically…
We derive a model for the highest occupied molecular orbital band of a C60 crystal which includes on-site electron-electron interactions. The form of the interactions are based on the icosahedral symmetry of the C60 molecule together with a…
The electronic structure of crystalline CdTe, CdO, $\alpha$-TeO$_2$, CdTeO$_3$ and Cd$_3$TeO$_6$ is studied by means of first principles calculations. The band structure, total and partial density of states, and charge densities are…
We consider electronic structure and superconductivity aspects in field-doped polyacenes (PA) and C60. Within a modified Thomas-Fermi approach for typical experimental values of the surface charge density the injected charge is confined to…
We have investigated the atomic structure of superconducting Ca-intercalated bilayer graphene on a SiC(0001) substrate using total-reflection high-energy positron diffraction. By comparing the experimental rocking-curves with ones…
On the basis of an analysis of theoretical and numerical studies of model systems, and of experiments on superconductivity in doped C$_{60}$, polyacenes, and the cuprate high temperature superconductors, we propose that a purely electronic…
We report the demonstration of hybrid high-Tc-superconductor-semiconductor tunnel junctions, enabling new interdisciplinary directions in condensed matter research. The devices were fabricated by our newly-developed mechanical bonding…
The electronic structure of the infinite layer compound CaCuO$_2$ has been calculated with the B3LYP hybrid density functional. The mixing of the Hartree-Fock exchange in the exchange-correlation energy separated the bands crossing Fermi…
We propose a new layered-ternary Ta4SiC3 with two different stacking sequences ({\alpha}- and {\beta}-phases) of the metal atoms along c axis and study their structural stability. The mechanical, electronic and optical properties are then…
The band structure of the novel low-temperature thermoelectric material, \CBT, is calculated and analyzed using the semi-classic transport equations. It is shown that to obtain a quantitative agreement with measured transport properties a…
Variations in the band structures of C60-polymers are studied, when pi-conjugation conditions are changed. We look at band structures in order to discuss a metal-insulator transition, using a semi-empirical model with the…