First-principles study of electronic and geometrical structures of semiconducting β-FeSi2 with doping

Materials Science and Engineering: B

Volumn 131, Issue 1-3, 2006, Pages 121-126

  Pan, Z J ^a   Zhang, L T ^a   Wu, J S ^a  

^a BEIJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

Author keywords

Electronic band structure; First principles; FLAPW; Thermoelectric properties

Indexed keywords

BAND STRUCTURE; DOPING (ADDITIVES); ELECTRIC CONDUCTIVITY; ELECTRONIC STRUCTURE; PROBABILITY DENSITY FUNCTION; SEMICONDUCTOR MATERIALS; SILICON; THERMAL CONDUCTIVITY;

DAMPED NEWTON DYNAMIC SCHEMES; FIRST-PRINCIPLES; FLAPW; SEEBECK COEFFICIENT;

IRON COMPOUNDS;

EID: 33745653305     PISSN: 09215107     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.mseb.2006.04.002     Document Type: Article

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