First-principle theory calculations of electronic structure of sphalerite with vacancy and impurity

Zhongguo Youse Jinshu Xuebao/Chinese Journal of Nonferrous Metals

Volumn 20, Issue 4, 2010, Pages 765-771

  Chen, Jian Hua ^a   Zeng, Xiao Qin ^a   Chen, Ye ^a   Zhang, Hui Peng ^a  

^a GUANGXI UNIVERSITY   (China)

Author keywords

Cadmium impurity; Electronic structure; First principle theory; Iron impurity; Sphalerite; Vacancy defect

Indexed keywords

BAND GAPS; BOND STRUCTURES; CD ATOM; D-ELECTRONS; DENSITY OF STATE; FE ATOMS; FIRST-PRINCIPLE THEORY; HIGH ENERGY; IMPURITY LEVEL; IN-BAND; IRON IMPURITIES; LOW ENERGIES; PLANE WAVE; VACANCY DEFECT; VACANCY DEFECTS;

ATOMS; CADMIUM; DEFECTS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; FERMI LEVEL; FERMIONS; LATTICE CONSTANTS; ZINC; ZINC SULFIDE;

VACANCIES;

EID: 77953267090     PISSN: 10040609     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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