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Investigating the Influence of Single Fe and Two Fe co-doping on the Structural and Magnetic Properties of Monolayer Pt2Te4 Pentagonal: A First Principle Study | ||
| Progress in Physics of Applied Materials | ||
| دوره 4، شماره 2 - شماره پیاپی 7، مهر 2024، صفحه 153-159 اصل مقاله (872.19 K) | ||
| نوع مقاله: Original Article | ||
| شناسه دیجیتال (DOI): 10.22075/ppam.2024.34081.1099 | ||
| نویسنده | ||
| Mojtaba Gholami* | ||
| Department of Physic, Payame Noor University, Tehran, Iran | ||
| تاریخ دریافت: 19 اردیبهشت 1403، تاریخ بازنگری: 01 مرداد 1403، تاریخ پذیرش: 13 مرداد 1403 | ||
| چکیده | ||
| The manipulation of magnetic characteristics in 2D materials is essential for their utilization in spintronic and magnetic devices. this study was carried out to investigate the doping process involving a single Fe dopant and the co-doping of two Fe impurities at the Pt site within the Pt2Te4 monolayer. The examination revealed that the introduction of a single iron (Fe) atom and a pair of Fe atoms into the non-magnetic semiconductor monolayer of Pt2Te4 leads to magnetic moments measuring 2 µB and 4µB, respectively. The origin of magnetic moments is observed predominantly around Fe-3d orbitals. In the instances of co-doping involving Fe-Fe substitution, four distinct configurations were examined. One of the configurations, specifically FeFe (1), was identified as the most stable due to its minimal energy level. This configuration also demonstrates a ferromagnetic coupling mechanism between the two Fe substitutions, a phenomenon that can be justified by the significant magnetic moment of 4µB. | ||
| کلیدواژه‌ها | ||
| co-doping؛ Pt2Te4 Pentagonal؛ Magnetic moments؛ Ferromagnetic coupling | ||
| مراجع | ||
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