Investigation of optoelectronic properties of cubic perovskite LaGaO{sub 3}

Journal Article · Wed Oct 15 00:00:00 EDT 2014 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4898236· OSTI ID:22308879

Babu, K. Ephraim, E-mail: [e-mail]; Murali, N., E-mail: [e-mail]; Babu, K. Vijaya, E-mail: [e-mail]; Shibeshi, Paulos Taddesse, E-mail: [e-mail]; Veeraiah, V., E-mail: [e-mail] ^[1]

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1. Modelling and Simulation in Materials Science Laboratory, Department Of Physics, Andhra University, Visakhapatnam-530 003 (India)

The structural, electronic, bonding and optical properties of cubic perovskite LaGaO{sub 3} have been calculated using the full-potential linearized augmented plane wave (FP-LAPW) method in the density functional theory (DFT) as embodied in WIEN2k code. The modified Becke-Johnson (mBJ) potential is applied for the calculation of electronic and optical properties. The calculated lattice constant is in good agreement with the experimental result. The predicted band structure shows an indirect (M-X) band gap of 4.22 eV. The bonding in the material is of mixed covalent and ionic nature. Optical properties like dielectric function, refractive index, reflectivity, conductivity and absorption coefficient are presented.

• OSTI ID: 22308879
• Journal Information: AIP Conference Proceedings, Vol. 1620, Issue 1; Conference: Optics 14: International conference on optics: Light and its interactions with matter, Calicut, Kerala (India), 19-21 Mar 2014; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ABSORPTION
COVALENCE
DENSITY FUNCTIONAL METHOD
DIELECTRIC MATERIALS
ELECTRONIC STRUCTURE
ENERGY GAP
EV RANGE
GALLIUM OXIDES
LANTHANUM COMPOUNDS
LATTICE PARAMETERS
PEROVSKITE
POTENTIALS
REFLECTIVITY
REFRACTIVE INDEX
W CODES
WAVE PROPAGATION