| Autor: |
Brach, A., Bahmad, L., Benyoussef, S. |
| Rok vydání: |
2023 |
| Předmět: |
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| Druh dokumentu: |
Working Paper |
| Popis: |
In this article, we examine the structure and the electronic, optical, and magnetic properties of ZnTe before and after doping with the transition metal Mn. The ab initio calculations of this compound were performed using the full potential linearized extended full potential planar waveform (FP-LAPW) in the context of density functional theory (DFT) implemented in the Wien2K code. The potential for exchange and correlation was addressed by the generalized gradient approximation (GGA) approximation. The electronic properties show that the ZnTe material exhibits semiconductor behavior before doping. As a result, it becomes semimetal after doping. The findings attained by Monte Carlo simulations display that the ZnMnTe material goes from an antiferromagnetic phase to the paramagnetic phase at the Neel temperature value TN =159.31 K. |
| Databáze: |
arXiv |
| Externí odkaz: |
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