4 papers
Sensitivity of x-ray absorption at edges of high-valent light actinides to crystal-field strength and covalency effects
Johan Vegelius, David K. Shuh, Sergei M. Butorin
The states were probed in ThO and U(VI) and U(V) oxides using x-ray absorption spectroscopy at the actinide edges. Measured data were analyzed by several approac…
Localization versus hybridization of states in actinide and lanthanide dioxides probed in core-level photoemission spectra
Sergei M. Butorin
The degrees of the localization and hybridization of the valence states/covalency of the chemical bonding in actinide and lanthanide dioxides were investigated using the atomic…
Quasi-rigid-band behavior and band gap changes upon isovalent substitution in CsBiBrI
Sergei M. Butorin
The recently introduced approach, combining the parameter-free Armiento-Kümmel generalized gradient approximation exchange functional with the nonseparable gradient approximation…
On the band gap variation in CHNHPb(IBr)
Sergei M. Butorin
The electronic structure and the band gap behavior of CHNHPb(IBr) for =0.25, 0.33, 0.50, 0.67, 0.75, 1.00 were studied using the full-relativistic densit…