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

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Published: Dec 4, 2024
DOI: https://doi.org/10.47577/technium.v25i.12148
Keywords:
ZnSe:Co,Ni, ferromagnetic, antiferromagnetic, half-metal

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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.


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How to Cite
Jafarova, V. N., Hashimova, N. N., & Scurtu, I. C. (2024). High Curie temperature in Zn(Co,Ni)Se: DFT study. Technium: Romanian Journal of Applied Sciences and Technology, 25, 142–147. https://doi.org/10.47577/technium.v25i.12148
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Vol. 25 (2024): Multidisciplinary research approach in advancement of Applied Sciences and Technology
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This work is licensed under a Creative Commons Attribution 4.0 International License.

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