Schottky defect formation energy in MgO calculated by diffusion Monte Carlo

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Bibliographische Detailangaben
Veröffentlicht in:	Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2005-06, Vol.71 (22), p.220101.1-220101.3, Article 220101
Hauptverfasser:	ALFE, D, GILLAN, M. J
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed matter: structure, mechanical and thermal properties Defects and impurities in crystals microstructure Exact sciences and technology Physics Point defects (vacancies, interstitials, color centers, etc.) and defect clusters Structure of solids and liquids crystallography Transport properties of condensed matter (nonelectronic)
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