Surface rumples and band gap reductions of cubic BaZrO3 (001) surface studied by means of first-principles calculations

Chinese Physics B

Volumn 17, Issue 1, 2008, Pages 274-280

  Zhang, Chao ^a   Wang, Chun Lei ^a   Li, Ji Chao ^a   Yang, Kun ^a   Zhang, Yan Fei ^a   Wu, Qing Zao ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

Band gap; BaZrO3; First principles; Surface

Indexed keywords

ELECTRONIC PROPERTIES; ENERGY GAP; INTERFACIAL ENERGY; SURFACE STRUCTURE;

FIRST PRINCIPLES CALCULATIONS; PARTIAL DENSITY OF STATES;

BARIUM COMPOUNDS;

EID: 43649100167     PISSN: 16741056     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-1056/17/1/048     Document Type: Article

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