ANION SHIFT INFLUENCE ON BAND STRUCTURE OF CRYSTALS WITH CHALCOPYRITE LATTICEReportar como inadecuado




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Abstract : In this paper we calculate the energy band structure of ZnSiAs2, ZnSnAs2, AgGaS2, AgGaSe2, AgGaTe2 with and no account of anion displacements by the pseudopotential method. It is shown that account of the anion displacements leads to considerable changes in the energy band structure. In the approximation of rigid ions the constants of optical strain were calculated for the valency band top and for the bottom of conductivity band of crystals under consideration.





Autor: Ju. Polygalov A. Poplavnoi A. Ratner

Fuente: https://hal.archives-ouvertes.fr/



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