4 papers
Carbon in the trigonal prismatic environment of rheniums complexes
Svyatoslav P. Gabuda, Svetlana G. Kozlova, Yuri V. Mironov +1
The electronic state of carbon in trigonal prismatic environment of rheniums was studied with electron localization function and was shown to be characterized by sp2 hybridisation…
Stability and proton exchange in Te(OH)6
S. P. Gabuda, S. G. Kozlova, V. V. Panov +2
We consider the problem of mobility and localization of hydrogen atoms in the Te(OH)6 crystals. The model of particles moving in a rapidly oscillating field was used.
XANES Pb LIII spectra of mixed-valence compound: Minium, Pb3O4
S. P. Gabuda, S. G. Kozlova, S. B. Erenburg +1
Mixed-valence compound Pb3O4 (minium) has been studied using X-ray absorption near-edge structure (XANES) spectroscopy and DFT calculations. In spite of presence of two valence sta…
XANES spectroscopy study of Pb(Ti, Zr)O3 ferroelectric thin films
Mira Mandeljc, Marija Kosec, S. P. Gabuda +3
Thin films of zirconium-rich perovskites Pb1-3x/2 Lax Zr0.65 Ti0.35O3 (PLZT; x=0.095) were studied using X-ray absorption near-edge structure (XANES) spectroscopy. Is shown, that s…