Material Design of GaN-Based Ferromagnetic Diluted Magnetic Semiconductors
Material Design of GaN-Based Ferromagnetic Diluted Magnetic Semiconductors
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DOI：
10.1143/jjap.40.l485
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发表时间：
2001-05
影响因子：
1.5
通讯作者：
Kazunori Sato;H. Katayama‐Yoshida
中科院分区：
文献类型：
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作者：
Kazunori Sato;H. Katayama‐Yoshida
基于局域自旋密度近似下的从头计算方法，给出了GaN基铁磁稀磁半导体的材料设计。采用Korringa-Kohn-Rostoker方法结合相干势近似计算了3d过渡金属掺杂GaN的电子结构。研究发现，在V、Cr或Mn掺杂的GaN中，无需任何额外的载流子掺杂处理即可轻松实现铁磁基态。对GaN基稀磁半导体中磁态的系统行为也作了简单的解释。
Material design of GaN-based ferromagnetic diluted magnetic semiconductors is given based on ab initio calculations within the local spin density approximation. The electronic structure of 3d-transition-metal-atom-doped GaN was calculated by the Korringa-Kohn-Rostoker method combined with the coherent potential approximation. It was found that the ferromagnetic ground states were readily achievable in V-, Cr- or Mn-doped GaN without any additional carrier doping treatments. A simple explanation on the systematic behavior of the magnetic states in GaN-based diluted magnetic semiconductors is also given.