DFT calculations of point defects on UN(001) surface

Surface Science

Volumn 605, Issue 3-4, 2011, Pages 396-400

  Bocharov, D ^a,b   Gryaznov, D ^a   Zhukovskii, Yu F ^a   Kotomin, E A ^a  

^a UNIVERSITY OF LATVIA   (Latvia)

^b UNIVERSITY OF LATVIA   (Latvia)

Author keywords

(001) surface; Density functional theory calculations; Surface defects; Uranium mononitride

Indexed keywords

(001) SURFACE; ATOMIC DISPLACEMENT; DENSITY FUNCTIONAL THEORY CALCULATIONS; DENSITY OF STATE; DFT CALCULATION; ELECTRONIC CHARGE DENSITY; RE-DISTRIBUTION; SPIN DENSITIES; SUBSURFACE LAYER;

DENSITY FUNCTIONAL THEORY; MAGNETIC MOMENTS; POINT DEFECTS; URANIUM;

SURFACE DEFECTS;

EID: 78651236560     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2010.11.007     Document Type: Article

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