Investigation of structural and optoelectronic properties of BaThO3

Details Investigation of structural and optoelectronic properties of BaThO3 Investigation of structural and optoelectronic properties of BaThO3

2010-11-04

arxiv.org/abs/1011.1042v1

Optical Materials 33 (2011) 553-557

Physics

Condensed Matter

Materials Science

20 pages and 7 figures

Scientific paper

10.1016/j.optmat.2010.10.052

Structural and optoelectronic properties of BaThO3 cubic perovskite are calculated using all electrons full potential linearized augmented plane wave (FP-LAPW) method. Wide and direct band gap, 5.7 eV, of the compound predicts that it can be effectively used in UV based optoelectronic devices. Different characteristic peaks in the wide UV range emerges mainly due to the transition of electrons between valance band state O-p and conduction band states Ba-d, Ba-f, Th-f and Th-d.

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