Electronic structure and properties

alloys anomalies approximation atom band structure binding energy bonding Brillouin zone bulk calculations charge density compounds conduction electrons contribution correlation Coulomb crystal curve d-band deformation potential e/at effect elastic constants electrical resistivity electron density electron gas electron-phonon interaction electronic structure energy band equation experiment experimental Fermi energy Fermi level Fermi surface ferromagnetic Freeman Friedel Friedel oscillations ground-state hybridization hydrogen impurity increase interstitial ions jellium jellium model Jena lattice Lett magnetic materials measured method moduli monovacancy muffin-tin muon obtained orbitals Papaconstantopoulos parameter peak phase phonon photoemission Phys point defects polarization positron properties proton pseudopotential rare-earth region sample scattering self-consistent shear shift shown in Fig shows Solid State Commun spectra Spectroscopy spin density strain Superconductivity temperature dependence theoretical theory tion transition metals transition-metal vacancy valence valence-band values variation velocity volume Wang wave functions York