An ab initio study of the effect of charge localization on oxygen defect formation and migration energies in magnesium oxide

Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences

Volumn 467, Issue 2131, 2011, Pages 2054-2065

  Mulroue, J ^a   Duffy, D M ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

Ab initio; Charge localization; Defect formation; Magnesium oxide; Migration energy

Indexed keywords

AB INITIO; CHARGE LOCALIZATION; DEFECT FORMATION; MAGNESIUM OXIDES; MIGRATION ENERGY;

DEFECT DENSITY; DENSITY FUNCTIONAL THEORY; MAGNESIUM; OXYGEN; RADIATION DAMAGE;

OXYGEN VACANCIES;

EID: 79959963008     PISSN: 13645021     EISSN: 14712946     Source Type: Journal    
DOI: 10.1098/rspa.2010.0517     Document Type: Conference Paper

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