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

Vusala Nabi Jafarova, Nermin Neriman Hashimova and Ionut Cristian Scurtu
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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

Technium, 2024, vol. 25, 142-147

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.

Date: 2024
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Persistent link: https://EconPapers.repec.org/RePEc:tec:techni:ojs:12148

DOI: 10.47577/technium.v25i.12148

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