First-principles study of atomic and electronic structures of kaolinite in soft rock

Chinese Physics B

Volumn 21, Issue 3, 2012, Pages

  He, Man Chao ^a   Zhao, Jian ^a   Fang, Zhi Jie ^a  

^a CHINA UNIVERSITY OF MINING AND TECHNOLOGY   (China)

Author keywords

crystal structure; first principles method; kaolinite

Indexed keywords

CHEMICAL BONDINGS; CONDUCTION-BAND MINIMUM; COVALENT COMPONENTS; ENGINEERING SAFETY; FIRST PRINCIPLES METHOD; FIRST-PRINCIPLES STUDY; INDIRECT BAND GAP; LARGE DEFORMATIONS; OH GROUP; OXYGEN ANION; S STATE; SAFETY ISSUES; SOFT ROCKS; TUNNEL ENGINEERING; VALENCE-BAND MAXIMUMS;

CHEMICAL BONDS; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; NEGATIVE IONS; OXYGEN; POSITIVE IONS;

KAOLINITE;

EID: 84863344401     PISSN: 16741056     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-1056/21/3/039101     Document Type: Article

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