2023   04   en   p.25-28 V.N. Jafarova, V.K. Sarijanova, M.A. Musaev,
First-principles study of electronic and magnetic properties of defected ZnSe


Electronic and magnetic properties of defected ZnSe 32- and 96-atom supercell systems were investigated from the first-principles study. We obtained that the presence of one, two, and three Zn vacancies defects lead to the magnetization of ZnSe with ~2 µB total magnetic moment and main contribution to magnetization of systems come from host Se atoms. The ferromag-netic alignment in the Zn vacany defected ZnSe supercell systems show semiconducting nature.

Keywords: ZnSe, Zn vacancy, electronic, magnetic properties.
PACS: 61.43.Bn; 71.20.-b; 61.72.-y; 75.50.Pp; 68.55.Ln


Received: 18.10.2023


Azerbaijan State Oil and Industry University, 20 Azadlig ave., Baku, AZ-1010, Azerbaijan
E-mail: vusale.cafarova@asoiu.edu.az

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