Improving the convergence of defect calculations in supercells: An ab initio study of the neutral silicon vacancy

Physical Review B - Condensed Matter and Materials Physics

Volumn 67, Issue 7, 2003, Pages

  Probert, M I J ^a   Payne, M C ^b  

^a UNIVERSITY OF YORK   (United Kingdom)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

SILICON;

AB INITIO CALCULATION; ACCURACY; ARTICLE; CRYSTAL; CRYSTAL STRUCTURE; ENERGY; ERROR; METHODOLOGY; THEORY;

EID: 0037441243     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.67.075204     Document Type: Article

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