Dilute magnetic semiconductors based on wide bandgap SiO2 with and without transition metal elements
Dilute magnetic semiconductors based on wide bandgap SiO2 with and without transition metal elements
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DOI：
10.1016/j.ssc.2005.06.032
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发表时间：
2005-10-01
影响因子：
2.1
通讯作者：
Katayama-Yoshida, H
中科院分区：
文献类型：
--
作者：
Dinh, VA;Sato, K;Katayama-Yoshida, H
提出了基于电子结构第一性原理计算的α-石英-SiO_2基稀磁半导体材料设计。过渡金属(TM)掺入Si位和非Tm原子掺入O位的处理浓度不同。在高于室温的温度下，Tm掺杂的SiO_2大部分没有磁性，但Si1-xMnxO_2有可能达到铁磁性。非Tm原子取代0作为C或N也会在主体中诱导磁性。然而，当N的取代引起铁磁性时，C的取代导致主体材料SiO_2的反铁磁性行为。(C)2005爱思唯尔有限公司。保留所有权利。
Material designs based on the first principle calculations of electronic structures are proposed for alpha-quartz SiO2-based dilute magnetic semiconductors. The incorporation of transition metals (TMs) into Si sites and of the non-TM atoms into O sites are treated for various concentrations. At temperatures higher than room temperature, most of the TM-doped SiO2 have no magnetism, yet Si1-xMnxO2 might achieve the ferromagnetism. The substitution of 0 by non-TM atoms as C or N also induces the magnetism in the host. However, while the N's substitution induces the ferromagnetism, C's substitution causes an antiferromagnetic behavior in the host material SiO2. (C) 2005 Elsevier Ltd. All rights reserved.