First-principles study for the atomic structures and electronic properties of PbTiO3 oxygen-vacancies (0 0 1) surface

Surface Science

Volumn 601, Issue 23, 2007, Pages 5412-5418

  Cai, Meng Qiu ^a,c   Tang, Chun Hong ^b   Tan, Xin ^c   Deng, Hui Qiu ^a   Hu, Wang Yu ^a   Wang, Ling Ling ^a   Wang, Yan Guo ^a  

^a HUNAN UNIVERSITY   (China)

^b NANJING INSTITUTE OF TECHNOLOGY   (China)

^c SUN YAT SEN UNIVERSITY   (China)

Author keywords

Electron structure; First principles; Oxygen vacancies surface; Surface relaxation

Indexed keywords

CRYSTAL ATOMIC STRUCTURE; ELECTRONIC PROPERTIES; LEAD COMPOUNDS; OXYGEN VACANCIES; SURFACE RELAXATION;

FIRST-PRINCIPLES CALCULATIONS; OXYGEN-VACANCIES SURFACE; PBO-TERMINATED SURFACE;

TITANIUM OXIDES;

EID: 36248953783     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2007.08.026     Document Type: Article

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