Structural and electronic properties of cubic SrHfO 3 surface: First-principles calculations

Applied Surface Science

Volumn 258, Issue 8, 2012, Pages 3455-3461

  Liu, Qi Jun ^a   Liu, Zheng Tang ^a   Chen, Ji Chao ^a   Feng, Li Ping ^a   Tian, Hao ^a   Zeng, Wei ^b  

^a NORTHWESTERN POLYTECHNICAL UNIVERSITY   (China)

^b CHENGDU UNIVERSITY OF TRADITIONAL CHINESE MEDICINE   (China)

Author keywords

Density functional theory; Surface energy; Work function

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; ELECTRONIC PROPERTIES; ENERGY GAP; HAFNIUM OXIDES; INTERFACIAL ENERGY; STRONTIUM COMPOUNDS; WORK FUNCTION;

CHEMICAL BONDINGS; DENSITY OF STATE; ELECTRONIC BAND STRUCTURE; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; INTERPLANAR DISTANCE; STRUCTURAL AND ELECTRONIC PROPERTIES; ULTRASOFT PSEUDOPOTENTIALS;

DENSITY FUNCTIONAL THEORY;

EID: 84856210435     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2011.11.097     Document Type: Article

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