Investigation of structural and optoelectronic properties of BaThO3

Abstract

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.

20 pages and 7 figures

References in corpus (4)

• Topological Insulators on the Lieb and Perovskite Lattices
• Comment on "Prediction of lattice constant in cubic perovskites"
• Interplay of p-d and d-d charge transfer transitions in rare-earth perovskite manganites
• Anomalously large measured thermoelectric power factor in Sr${}_{1-x}$La${}_x$TiO${}_3$ thin films due to SrTiO${}_3$ substrate reduction

Cited by in corpus (1)

• Crystal structure and properties of barium thorate BaThO${}_3$ from first principles