Band Theory of Itinerantf-Electron Compounds

Band-Gap Tuning Of Electron Beam Evaporated Cds Thin Films

The effect of evaporation rate on structural, morphological and optical properties of electron beam evaporated CdS thin films have been investigated. CdS thin film deposited by electron beam evaporation method in 12nm/min and 60nm/min evaporation rates on glass substrates. X-ray diffraction, scanning electron microscopy, UV-Vis-NIR spectroscopy and Atomic Force Microscopy were used to character...

Theory of unconventional metamagnetic electron states in orbital band systems

We extend the study of the Fermi surface instability of the Pomeranchuk type into systems with orbital band structures, which are common features in transition metal oxides. Band hybridization significantly shifts the spectral weight of the Landau interactions from the conventional s-wave channel to unconventional non-s-wave channels, which results in anisotropic nematic Fermi surface distortio...

General Theory of Cycle-Dependence of Total pi-Electron Energy

The theoretical treatment of cycle-effects on total pi-electron energy, mainly elaborated by Nenad Trinajstic and his research group, is re-stated in a general and more formal manner. It enables to envisage several other possible ways of measuring the cycle-effects and points at further directions of research.

Large magnetovolume effects and band structure of itinerant-electron metamagnetic La(FexSi1-x)13 compounds

All-electron GW quasiparticle band structures of group 14 nitride compounds.

We have investigated the group 14 nitrides (M3N4) in the spinel phase (γ-M3N4 with M = C, Si, Ge, and Sn) and β phase (β-M3N4 with M = Si, Ge, and Sn) using density functional theory with the local density approximation and the GW approximation. The Kohn-Sham energies of these systems have been first calculated within the framework of full-potential linearized augmented plane waves (LAPW) and t...