40 citations · 78 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2010★ 40 cited
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…
cond-mat.mtrl-sci2010★ 38 cited
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…