First-principles study of nitrogen doping and oxygen vacancy in cubic PbTiO3

Computational Materials Science

Volumn 98, Issue , 2015, Pages 10-14

  Niu, P J ^a   Yan, J L ^a   Xu, C Y ^a  

^a LUDONG UNIVERSITY   (China)

Author keywords

Band structure; First principles; N doped PbTiO3; Oxygen vacancy

Indexed keywords

BAND STRUCTURE; CALCULATIONS; DOPING (ADDITIVES); OXYGEN; PRASEODYMIUM COMPOUNDS; SEMICONDUCTOR DOPING; ENERGY GAP;

DENSITY FUNCTIONALS; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; HALL EFFECT MEASUREMENT; N-DOPED; P TYPE SEMICONDUCTOR; STRUCTURAL AND ELECTRICAL PROPERTIES; FIRST PRINCIPLES;

OXYGEN VACANCIES;

EID: 84910667338     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2014.10.057     Document Type: Article

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