Journal
OPTICAL MATERIALS
Volume 33, Issue 3, Pages 553-557Publisher
ELSEVIER
DOI: 10.1016/j.optmat.2010.10.052
Keywords
Oxide perovskite; FP-LAPW; Wide band gap; High frequency operating material
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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. (C) 2010 Elsevier B.V. All rights reserved.
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