| 过渡金属掺杂CuGaS2的磁学性质 |
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| 引用本文： | 曾志钦. 过渡金属掺杂CuGaS2的磁学性质[J]. 漳州师范学院学报, 2005, 18(3): 71-76 |
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| 作者姓名： | 曾志钦 |
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| 作者单位： | 曾志钦（漳州教育学院,福建,漳州,363000） |
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| 摘 要： | 应用基于自旋极化的第一性原理系统地对3d过渡金属(TM=V、Cr、Mn、Fe、Co和Ni)掺杂CuGaS2的磁学性质进行理论计算.通过对过渡金属对CuGaS2掺杂,在铁磁状态下取代不同离子(Cu和Ga)结合能的比较,我们发现:过渡金属在CuGaS2中比较容易占据Ga的位置.通过对稀磁半导体(DMS)磁性稳定性的研究,可以发现到:在Cr、Mn掺杂的CuGaS2中,DMS表现为铁磁状态,其居里温度将可能高于(Ga,Mn)As,其他过渡金属掺杂时,DMS则表现为反铁磁状态.并验算了一条判断DMS磁性状态的简单规律.
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| 关 键 词： | 稀磁半导体(DMS) 居里温度(TC) 过渡金属(TM) |
| 文章编号： | 1008-7826（2005）03-0071-06 |
| 收稿时间： | 2005-03-23 |
| 修稿时间： | 2005-03-23 |
The Magnetic Property of CuGaS2 Doped by Transition Metal |
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| ZENG Zhi-qin. The Magnetic Property of CuGaS2 Doped by Transition Metal[J]. Journal of ZhangZhou Teachers College(Natural Science), 2005, 18(3): 71-76 |
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| Authors: | ZENG Zhi-qin |
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| Abstract: | A systematic study based on ab initio calculation within local spin approximation is applied to magnetic property of CuGaS2- base doped by 3d transition metal(TM=V, Cr, Mn, Fe, Co and Ni). By comparing the formation energy between TM substituting Ga and Cu in CuGaS2 in ferromagnetic (FM) state, we find that the TM prefers Ga site in CuGaS2. By studying the ferromagnetic stability of the dilute magnetic semiconductor (DMS), it is suggest that the FM state is ready to achieve by Cr, Mn doped in CuGaS2, and their Curie temperature (Tc) will be higher than that in (Ga, Mn)As. When doped by other TMs, The DMSs will show antiferromagnetic (AFM) state. We also confirm a simple rule to judge the ferromagnetic state of DMS. |
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| Keywords: | diluted magnetic semiconductor (DMS) Curie temperature (TC) transition metal (TM) |
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