Triclinic CdSiO3 structural, electronic, and optical properties from first principles calculations

Journal of Physics D: Applied Physics

Volumn 42, Issue 15, 2009, Pages

  Barboza, C A ^a   Henriques, J M ^a   Albuquerque, E L ^a   Freire, V N ^b   Da Costa, J A P ^b   Caetano, E W S ^c  

^a FEDERAL UNIVERSITY OF RIO GRANDE DO NORTE   (Brazil)

^b FEDERAL UNIVERSITY OF CEARÁ   (Brazil)

^c Centro Federal de Educacao Tecnologica do Ceara   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO SIMULATIONS; ATOMIC POSITIONS; BAND GAP ENERGY; BAND GAPS; CONDUCTION-BAND MINIMUM; CRYSTALLINE PLANES; DIELECTRIC FUNCTIONS; DIRECT BAND GAP; EFFECTIVE MASS; ELECTRONIC BAND STRUCTURE; EXCHANGE-CORRELATION FUNCTIONALS; FIRST-PRINCIPLES CALCULATION; GENERALIZED GRADIENT APPROXIMATIONS; INCIDENT LIGHT; INDIRECT BAND GAP; LOCAL DENSITY; OPTICAL ABSORPTION; RECIPROCAL SPACE; TOTAL ENERGY; TRICLINIC CRYSTAL; UNIT CELL PARAMETERS; VALENCE-BAND MAXIMUMS;

ABSORPTION; CADMIUM; CADMIUM COMPOUNDS; CALCIUM; CELL MEMBRANES; CRYSTALLINE MATERIALS; DENSITY FUNCTIONAL THEORY; ELECTRON MOBILITY; ENERGY GAP; LIGHT ABSORPTION; SILICATE MINERALS; SILICON COMPOUNDS;

OPTICAL PROPERTIES;

EID: 70349088662     PISSN: 00223727     EISSN: 13616463     Source Type: Journal    
DOI: 10.1088/0022-3727/42/15/155406     Document Type: Article

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