ELECTRONIC STRUCTURE OF CHALCOGEN COMPOUNDS CdSe, CdTe AND SnSe | Zendy

Wenhui Duan | Zendy; GU BING-LIN | Zendy; Jialin Zhu | Zendy

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ELECTRONIC STRUCTURE OF CHALCOGEN COMPOUNDS CdSe, CdTe AND SnSe

Author(s) -

Wenhui Duan,

GU BING-LIN,

Jialin Zhu

Publication year - 1990

Publication title -

acta physica sinica

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.199

H-Index - 47

ISSN - 1000-3290

DOI - 10.7498/aps.39.437

Subject(s) - chalcogen , cadmium telluride photovoltaics , electronic structure , materials science , crystal structure , spheres , crystal (programming language) , local density approximation , condensed matter physics , zinc , symmetry (geometry) , crystallography , chemical physics , molecular physics , physics , nanotechnology , chemistry , computer science , geometry , mathematics , astronomy , programming language , metallurgy

The electronic structure of CdSe, CdTe and SnSe are studied using the first-principle scalar-relativistic LMTO-ASA method in the local-density approximation. In the calculation, extra "empty" spheres are introduced on high-symmetry interstitial sites in zinc-blende crystal structure and NaCl crystal structure, and a correction for the leading non-spherical component of the crystal potential is incorporated. The calculated results are compared with the experiment and other non-self consistent calculation.

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