Abstract
In this paper the problem of stability of Cu(In,Ga)Se2 (CIGS) compounds as the continuous solid solution composition CuInxGa1–xSe2 with the structure of chalcopyrite in the state of quantum dots of nanoelectromechanical systems (NEMS) is studied. Variations of energy, geometry, and paired radial distribution functions of atoms of stable NEMS quantum dots of CIGS at the three temperatures 0, 77, and 293 K are investigated. It is revealed that the relative change in parameters of sustainable CIGS nanolayers in the state of NEMS quantum dots is nonlinearly dependent on the concentration of indium atoms in the system. We show that this behavior is a result of the significant difference of energy and lengths of In-Se and Ga-Se bonds of NEMSs in the first coordination sphere of selenium atoms.
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