DFT study of a single F center in cubic SrTiO3 perovskite

International Journal of Quantum Chemistry

Volumn 106, Issue 10, 2006, Pages 2173-2183

  Evarestov, R A ^a   Kotomin, E A ^b,c   Zhukovskii, Yu F ^b,c  

^a ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

^b UNIVERSITY OF LATVIA   (Latvia)

^c NORTHWESTERN UNIVERSITY   (United States)

Author keywords

Cubic SrTiO3 perovskite; Defect formation and migration; Electronic properties; F center; Periodic DFT calculations

Indexed keywords

BANDWIDTH; CRYSTAL DEFECTS; ELECTRONIC PROPERTIES; ENERGY GAP; IONIZATION; PROBABILITY DENSITY FUNCTION;

CUBIC SRTIO3 PEROVSKITE; DEFECT FORMATION AND MIGRATION; F CENTER; PERIODIC DFT CALCULATIONS;

PEROVSKITE;

EID: 33745840502     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.20855     Document Type: Article

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