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High Curie temperature in Zn(Co,Ni)Se: DFT study

Author

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  • Vusala Nabi Jafarova

    (1Azerbaijan State Oil and Industry University, 20 Azalig ave., AZ-1010, Baku, Azerbai-jan & Khazar University, 41 Mehseti Str., AZ1096, Baku, Azerbaijan & Ministry of Science and Education Republic of Azerbaijan, Institute of Physics, 131 H. Javid Ave., AZ-1143, Baku, Azerbaijan)

  • Nermin Neriman Hashimova

    (Azerbaijan State Oil and Industry University, 20 Azalig ave., AZ-1010, Baku, Azerbai-jan)

  • Ionut Cristian Scurtu

    (Romanian Naval Academy, 1 Fulgerului Str., 900218, Constanta, Romania)

Abstract

In this work, we aimed to examine the first-principles study of correlation between chemical environment and ferromagnetism, and Curie temperature of CoxZn1-xSe and NixZn1-xSe diluted magnetic semiconductors for different concentrations of impurity atoms. The calculations are implemented by the norm-concerving FHI pseudopotential method within the local spin density approximation (LSDA) and Hubbard U method. The analysis of the total density of states curves shows the half-metallic ferromagnetic character with half-metallic band gap. The first-principles calculated total magnetic moments of CoxZn1-xSe and NixZn1-xSe systems are found to be equal to 3 and 4 µB, respectively.

Suggested Citation

  • Vusala Nabi Jafarova & Nermin Neriman Hashimova & Ionut Cristian Scurtu, 2024. "High Curie temperature in Zn(Co,Ni)Se: DFT study," Technium, Technium Science, vol. 25, pages 142-147, December.
    • Handle: RePEc:tec:techni:ojs:12148
    DOI: 10.47577/technium.v25i.12148
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