通过第一原理计算探索铬掺杂对 AlSb DMS 化合物的电子特性、半金属性和铁磁性的影响

IF 1.3 4区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Bulletin of the Chemical Society of Ethiopia Pub Date : 2024-01-23 DOI:10.4314/bcse.v38i2.2

Zakaria El Merzouki, Elhassan Benhsin, Mohammed Cherraj

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引用次数: 0

摘要

为了提高和研究自旋电子应用的磁致性洞察力，我们采用 KKR-CPA-DFT 方法，通过第一原理计算研究了掺杂铬的 AlSb 化合物的电子结构。在此，我们研究了合金材料的稳定性与磁污染的函数关系。通过在 AlSb 中引入 Cr 元素，可以获得稳定的半金属铁磁相，而这是非磁性半导体所固有的。掺杂 4% 和 25% Cr 的材料的总磁矩分别从 0.1167 μB 变为 0.716 μB。当铬浓度为 25% 时，居里温度变为 740 K。关键词：磁性材料半导体合金杂质 Bull.Chem.Soc.2024, 38(2), 297-304. DOI: https://dx.doi.org/10.4314/bcse.v38i2.2

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Exploring the effect of chromium doping on electronic properties, half-metallic and ferromagnetism on AlSb DMS compound through first-principles calculations

With the aim of improving and investigating magnetocaloric insights for spintronic applications, we investigated the electronic structure of Cr-doped AlSb compounds via first-principles calculations using the KKR-CPA-DFT method. Here, we investigated the stability of alloy materials as a function of magnetic contamination. A stable semimetallic ferromagnetic phase can be obtained by introducing the Cr element into AlSb, which is inherent in nonmagnetic semiconductors. The total magnetic moment of the doped material changes from 0.1167 μB to 0.716 μB for 4% and 25% Cr, respectively. Curie temperature changed to 740 K at 25% Cr concentration. KEY WORDS: Magnetic materials, Semiconductor, Alloys, Impurities Bull. Chem. Soc. Ethiop. 2024, 38(2), 297-304. DOI: https://dx.doi.org/10.4314/bcse.v38i2.2

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来源期刊

Bulletin of the Chemical Society of Ethiopia 化学-化学综合

CiteScore

2.20

自引率

8.30%

发文量

113

审稿时长

6-12 weeks

期刊介绍： The Bulletin of the Chemical Society of Ethiopia (BCSE) is a triannual publication of the Chemical Society of Ethiopia. The BCSE is an open access and peer reviewed journal. The BCSE invites contributions in any field of basic and applied chemistry.