First-principles calculations of electronic structures and absorption spectra of YAlO3 crystals with F center

Computational Materials Science

Volumn 46, Issue 1, 2009, Pages 225-228

  Chen, Jianyu ^a,b   Zhao, Guangjun ^a   Cao, Dunhua ^a,b   Li, Hongjun ^a   Zhou, Shengming ^a  

^a SHANGHAI INSTITUTE OF OPTICS AND FINE MECHANICS   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

Absorption spectra; Electronic structures; F centers; YAlO3 crystal

Indexed keywords

ABSORPTION BAND; DENSITY OF STATE; EXPERIMENTAL VALUES; F CENTERS; FIRST-PRINCIPLES CALCULATION; FORBIDDEN BAND; LATTICE PARAMETERS; LATTICE STRUCTURES; YALO3 CRYSTAL;

ABSORPTION SPECTRA; COLOR CENTERS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; LIGHT ABSORPTION; OXYGEN; OXYGEN VACANCIES; SPECTRUM ANALYSIS;

ABSORPTION;

EID: 67349141411     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2009.02.029     Document Type: Article

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