Investigation of structural and optoelectronic properties of BaThO3

G. Murtaza; Iftikhar Ahmad; B. Amin; J. Maqssod; A. Afaq; M. Maqbool; I. Khan; M. Zahid

doi:10.1016/j.optmat.2010.10.052

Investigation of structural and optoelectronic properties of BaThO3

Materials Science 2015-03-17 v1 Other Condensed Matter

Authors: G. Murtaza , Iftikhar Ahmad , B. Amin , J. Maqssod , A. Afaq , M. Maqbool , I. Khan , M. Zahid

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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.

Keywords

batho3 cubic perovskite fp-lapw band gap optoelectronic properties uv devices electronic structure

Cite

@article{arxiv.1011.1042,
  title  = {Investigation of structural and optoelectronic properties of BaThO3},
  author = {G. Murtaza and Iftikhar Ahmad and B. Amin and J. Maqssod and A. Afaq and M. Maqbool and I. Khan and M. Zahid},
  journal= {arXiv preprint arXiv:1011.1042},
  year   = {2015}
}

Comments

20 pages and 7 figures

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