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Magnetic properties of Mn-doped InSb nanowires from first principles
oleh: Yong Zhang, Zhong-Xiang Xie, Yuan-Xiang Deng, Xia Yu, Li-Ke Zhang, Shi-Zhang Chen, Feng Ning
Format: | Article |
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Diterbitkan: | IOP Publishing 2024-01-01 |
Deskripsi
Room-temperature ferromagnetism (RTFM) has been achieved in Mn-doped InSb nanowires (NWs) through experiment. However, the underlying cause of RTFM remains unclear. In this paper, using first-principles calculations, the distribution of Mn ions and magnetic properties of Mn-doped wurtzite and zinc blend InSb NWs have been investigated. Our results indicate that wurtzite (In,Mn)Sb NWs can exhibit superior ferromagnetic behavior compared to zinc blend (In,Mn)Sb NWs. The distribution of Mn ions and magnetic properties in the (In,Mn)Sb NWs is influenced by their size, surface passivation and crystal structure. Furthermore, the ferromagnetic coupling is short-range in passivated (In,Mn)Sb NWs, and as the size of the NW decreases, the Mn-3d level becomes a deep acceptor in the band gap, resulting in an enhancement of ferromagnetism.