Real-space density-functional calculations for Si divacancies with large size supercell models

Physica B: Condensed Matter

Volumn 376-377, Issue 1, 2006, Pages 196-199

  Iwata, J I ^a   Oshiyama, A ^a   Shiraishi, K ^a  

^a UNIVERSITY OF TSUKUBA   (Japan)

Author keywords

Divacancy; First principles; Real space; Silicon

Indexed keywords

CRYSTALLINE MATERIALS; FUNCTIONAL ASSESSMENT; PARALLEL PROCESSING SYSTEMS; PROBABILITY DENSITY FUNCTION;

DIVACANCIES; FIRST-PRINCIPLES; LARGE SIZE SUPERCELL MODELS; PSEUDOPOTENTIAL CODE;

SILICON;

EID: 33645132112     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2005.12.052     Document Type: Conference Paper

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