Evidence of the Existence of Magnetism in Pristine VX2 Monolayers (X = S, Se) and Their Strain-Induced Tunable Magnetic Properties
Evidence of the Existence of Magnetism in Pristine VX2 Monolayers (X = S, Se) and Their Strain-Induced Tunable Magnetic Properties
复制标题
原始 VX2 单层 (X = S, Se) 中磁性存在的证据及其应变诱导的可调谐磁性
DOI：
10.1021/nn204667z
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发表时间：
2012-02-01
期刊：
影响因子：
17.1
通讯作者：
Huang, Baibiao
中科院分区：
文献类型：
--
作者：
Ma, Yandong;Dai, Ying;Huang, Baibiao
用第一性原理计算研究了VX2单层（X = 5, Se）的电子和磁性能。我们的研究结果揭示了VX2单层具有令人兴奋的铁磁行为，为原始二维单层中存在磁性行为提供了证据。此外，有趣的是，随着各向同性应变从-5%增加到5%，VX2单层的磁矩和磁耦合强度都迅速增加。提出了应变依赖磁矩与强离子共价键有关，而铁磁性和磁耦合强度随应变的变化是通过键和通过空间相互作用的综合作用。这些发现为促进纳米电子器件的设计提供了一条新的途径。
First-principles calculations are performed to study the electronic and magnetic properties of VX2 monolayers (X = 5, Se). Our results unveil that VX2 monolayers exhibit exciting ferromagnetic behavior, offering evidence of the existence of magnetic behavior in pristine 2D monolayers. Furthermore, interestingly, both the magnetic moments and strength of magnetic coupling increase rapidly with increasing Isotropic strain from -5% to 5% for VX2 monolayers. It is proposed that the strain-dependent magnetic moment Is related to the strong ionic covalent bonds, while both the ferromagnetism and the variation in strength of magnetic coupling with strain arise from the combined effects of both through-bond and through-space interactions. These findings suggest a new route to facilitate the design of nanoelectronic devices for complementing graphene.