Computer-aided design of new wide bandgap semiconductors with chalcopyrite structure

The wide class of algorithms of computer training was used for design of new wide bandgap semiconductors with composition ABC 2 (A and B — various chemical elements; C — S, Se, Te, N, P, As, or Sb) with chalcopyrite crystal structure type. Application of methodology of collectives of algorithms in order to make a decision about belonging of substance to one or another class of phases has allowed considerably increase of reliability of the prediction of inorganic compound properties.

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