40 citations · 111 across the 3 of their papers we have counts for
3 papers
Ab initio modeling of oxygen impurity atom incorporation into uranium mononitride surface and subsurface vacancies
Dmitry Bocharov, Denis Gryaznov, Yuri F. Zhukovskii +1
The incorporation of oxygen atoms has been simulated into either nitrogen or uranium vacancy at the UN(001) surface, sub-surface or central layers. For calculations on the correspo…
DFT calculations of point defects on UN(001) surface
Dmitry Bocharov, Denis Gryaznov, Yuri F. Zhukovskii +1
The density functional theory (DFT) is used in a study of point defects on both UN (001) surface and sub-surface layers. We compare results for slabs of different thicknesses (both…
Theory of bound polarons in oxide compounds
J. T. Devreese, V. M. Fomin, E. P. Pokatilov +3
We present a multilateral theoretical study of bound polarons in oxide compounds MgO and α-Al_2O_3 (corundum). A continuum theory at arbitrary electron-phonon coupling is used for…