Magnetic properties of Mn-doped InSb nanowires from first principles

Autor: Yong Zhang, Zhong-Xiang Xie, Yuan-Xiang Deng, Xia Yu, Li-Ke Zhang, Shi-Zhang Chen, Feng Ning
Jazyk: angličtina
Rok vydání: 2024
Předmět:
Zdroj: Materials Research Express, Vol 11, Iss 1, p 015008 (2024)
Druh dokumentu: article
ISSN: 2053-1591
DOI: 10.1088/2053-1591/ad1e0d
Popis: 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.
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