First-principles study of oxygen vacancies in Lu2SiO5

Journal of Physics Condensed Matter

Volumn 19, Issue 43, 2007, Pages

  Liu, Bo ^a   Qi, Zeming ^b   Gu, Mu ^a   Liu, Xiaolin ^a   Huang, Shiming ^a   Ni, Chen ^a  

^a TONGJI UNIVERSITY   (China)

^b UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; DENSITY FUNCTIONAL THEORY; ENERGY GAP; LIGHT EMISSION; LUTETIUM COMPOUNDS;

2+ CHARGE STATE VACANCIES; FORMATION ENERGIES; NEUTRAL VACANCIES; PSEUDOPOTENTIAL CALCULATIONS;

OXYGEN VACANCIES;

EID: 35348834829     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/19/43/436215     Document Type: Article

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