Structural, electronic and optical properties of ilmenite and perovskite CdSnO3 from DFT calculations

Journal of Physics Condensed Matter

Volumn 22, Issue 43, 2010, Pages

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

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

^b FEDERAL UNIVERSITY OF CEARÁ   (Brazil)

^c INSTITUTO FEDERAL DE EDUCAÇÃO   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

DEGREE OF ANISOTROPY; DENSITIES OF STATE; DFT CALCULATION; DIELECTRIC FUNCTIONS; DIRECT BAND GAP; EFFECTIVE MASS; ELECTRONIC BAND STRUCTURE; ELECTRONIC TRANSITION; FERROELECTRIC PROPERTY; GENERALIZED GRADIENT APPROXIMATIONS; IMAGINARY FREQUENCY; INCIDENT LIGHT; INDIRECT BAND GAP; LOCAL DENSITY; OPTICAL ABSORPTION; OPTICAL PERMITTIVITY; OPTIMIZED GEOMETRIES; PEROVSKITE CRYSTAL; PHONON CALCULATION; POLARIZABILITIES; POLARIZATION PLANES; REFLECTIVITY SPECTRA; VIBRATIONAL MODES;

ABSORPTION; ANISOTROPY; CRYSTALS; DENSITY FUNCTIONAL THEORY; ENERGY GAP; FOURIER TRANSFORM INFRARED SPECTROSCOPY; ILMENITE; LIGHT ABSORPTION; PEROVSKITE; SULFUR COMPOUNDS;

OPTICAL PROPERTIES;

CADMIUM DERIVATIVE; CALCIUM DERIVATIVE; ILMENITE; IRON; OXIDE; PEROVSKITE; TIN DERIVATIVE; TITANIUM;

ABSORPTION; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; ELECTRON; IMPEDANCE; INFRARED SPECTROPHOTOMETRY; LIGHT RELATED PHENOMENA; QUANTUM THEORY;

ABSORPTION; CADMIUM COMPOUNDS; CALCIUM COMPOUNDS; ELECTRIC IMPEDANCE; ELECTRONS; IRON; MODELS, MOLECULAR; MOLECULAR CONFORMATION; OPTICAL PROCESSES; OXIDES; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED; TIN COMPOUNDS; TITANIUM;

EID: 78249288501     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/22/43/435801     Document Type: Article

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