Density functional theory (DFT) investigation on the structure and electronic properties of the cubic perovskite PbTiO3

Applied Catalysis A: General

Volumn 404, Issue 1-2, 2011, Pages 54-58

  Lv, Huizhi ^a   Gao, Hongwei ^a   Yang, Yue ^a   Liu, Lekun ^a  

^a WENZHOU MEDICAL UNIVERSITY   (China)

Author keywords

DFT; DOS; PbTiO3; Perovskite

Indexed keywords

CUBIC PEROVSKITE; DENSITY OF STATE; DFT; PBTIO3; PSEUDOPOTENTIALS; STRUCTURE AND PROPERTIES;

CRYSTAL STRUCTURE; ELECTRONIC PROPERTIES; PEROVSKITE;

DENSITY FUNCTIONAL THEORY;

EID: 80052035461     PISSN: 0926860X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apcata.2011.07.010     Document Type: Article

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