LETTER TO THE EDITOR: Density functional theory of high-TC ferromagnetism of (ZnCr)Te
LETTER TO THE EDITOR: Density functional theory of high-TC ferromagnetism of (ZnCr)Te
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致编辑的信：(ZnCr)Te 高TC铁磁性的密度泛函理论
DOI：
10.1088/0953-8984/15/37/l05
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发表时间：
2003
期刊：
影响因子：
--
通讯作者：
P. Bruno
中科院分区：
文献类型：
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作者：
L. Sandratskii;P. Bruno
本文报道了Zn_（0.75）Cr_（0.25）Te的电子结构、原子间交换相互作用和磁临界温度的无参数密度泛函理论计算.该系统最近作为第一个稀磁半导体（DMS）获得了特殊的重要性，其中居里温度高于室温的内禀铁磁性被磁性圆二色性测量所证实.我们得到的居里温度的值是在很好的协议与实验。在介导的铁磁交换相互作用的价带中的空穴的作用被证明。对Zn_（0.75）Mn_（0.25）Te的计算结果表明，该体系不含载流子，具有强的反铁磁交换作用，与实验数据有很好的相关性。比较（ZnCr）Te与III-V DMS，我们注意到一个大的半导体间隙的作用，在有限的温度下保持高自旋极化的费米能级的状态。(Some本文中的数字仅在电子版中为彩色）
We report the parameter-free, density-functional theory calculations of the electronic structure, interatomic exchange interaction and magnetic critical temperature of Zn0.75Cr0.25Te .T his system has recently gained exceptional importance as the first diluted magnetic semiconductor (DMS), where the intrinsic ferromagnetism with Curie temperature higher than room temperature is confirmed by magnetic circular dichroism measurements. We obtain a value for the Curie temperature that is in good agreement with experiment. The role of the holes in the valence band in mediating the ferromagnetic exchange interactions is demonstrated. The application of the same calculational scheme to Zn0.75Mn0.25Te show st hat, in good correlation with experimental data, this system does not possess charge carriers and is characterized by strong antiferromagnetic exchange interactions. Comparing (ZnCr)Te with III–V DMS, we note the role of a large semiconducting gap for preserving high spin polarization of the states at the Fermi level at finite temperatures. (Some figures in this article are in colour only in the electronic version)
DOI：
10.1209/epl/i2003-00191-8
发表时间：
2003-02-01
期刊：
EUROPHYSICS LETTERS
影响因子：
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作者：
Sato, K;Dederics, PH;Katayama-Yoshida, H
通讯作者：
Katayama-Yoshida, H