First principles materials design for semiconductor spintronics
First principles materials design for semiconductor spintronics
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DOI：
10.1088/0268-1242/17/4/309
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发表时间：
2002-04-01
影响因子：
1.9
通讯作者：
Katayama-Yoshida, H
中科院分区：
文献类型：
--
作者：
Sato, K;Katayama-Yoshida, H
基于第一性原理计算提出了新型功能稀磁半导体（DMS）的材料设计。系统地研究了ZnO、ZnS、ZnSe、ZnTe、GaAs和GaN基DMS中铁磁态的稳定性，提出V或Cr掺杂的ZnO、ZnS、ZnSe和ZnTe是高Tc铁磁DMS的候选材料。V-、Cr-或Mn掺杂的GaAs和GaN也是高T-C铁磁体的候选者。研究还表明，Fe、Co、Ni掺杂的ZnO具有铁磁性。特别是，在ZnO基DMS的载流子诱导铁磁性的研究，发现它们的磁状态是可控的，通过改变载流子密度。本文还讨论了DMS中铁磁性的起源。
Materials design of new functional diluted magnetic semiconductors (DMSs) is presented based on first principles calculations. The stability of the ferromagnetic state in ZnO-, ZnS-, ZnSe-, ZnTe-, GaAs- and GaN-based DMSs is investigated systematically and it is suggested that V- or Cr-doped ZnO, ZnS, ZnSe and ZnTe are candidates for high-Tc ferromagnetic DMSs. V-, Cr- or Mn-doped GaAs and GaN are also candidates for high-T-C ferromagnets. It is also shown that Fe-, Co- or Ni-doped ZnO is ferromagnetic. In particular, the carrier-induced ferromagnetism in ZnO-based DMSs is investigated and it is found that their magnetic states are controllable by changing the carrier density. The origin of the ferromagnetism in the DMSs is also discussed.