Effect of non-metal elements (B, C, N, F, P, S) mono-doping as anions on electronic structure of SrTiO3

Computational Materials Science

Volumn 79, Issue , 2013, Pages 69-74

  Zhang, Chao ^a,b   Jia, Yongzhong ^a   Jing, Yan ^a   Yao, Ying ^a   Ma, Jun ^a   Sun, Jinhe ^a  

^a QINGHAI INSTITUTE OF SALT LAKES   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

Electronic structure; First principles; Non metal mono doping; SrTiO 3

Indexed keywords

ANION DOPING; BAND GAP NARROWING; DENSITY-FUNCTIONAL CALCULATIONS; FIRST PRINCIPLES; NON-METAL MONO-DOPING; SRTIO; VISIBLE LIGHT; VISIBLE-LIGHT ABSORBANCE;

CALCULATIONS; ELECTRIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; MIXING; NEGATIVE IONS;

STRONTIUM TITANATES;

EID: 84879931493     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2013.06.009     Document Type: Article

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