论文标题
具有过渡金属二甲基化元素单层的异质结构中的磁性增强
Enhanced Magnetism in Heterostructures with Transition-Metal Dichalcogenide Monolayers
论文作者
论文摘要
二维材料及其异质结构在纳米级为磁性开辟了新的可能性。在这项研究中，我们利用第一原理模拟来研究$ \ textrm {fe}/\ textrm {wse} _2/\ textrm {pt} $系统中包含Pristine，Pristine，有缺陷或混淆$ \ textrm {Wsetrm {wse wse} _2 $ monolayers的结构，电子和磁性。通过考虑有缺陷和钒掺杂的$ \ textrm {wse} _2 $单层来研究铁磁Fe层的接近效应。发现所有异质结构都是铁磁性的，并且插入过渡金属二核苷的插入导致旋转方向的重新分布，并且由于磁化$ \ textrm {wse} _2 _2 $而引起的磁原子密度增加。由于$ \ textrm {wse} _2 $，在费米水平上的状态总密度有所增加；然而，由于比范德华偶联更强，过渡金属二分裂基因可能会失去其独特的半导体特性。自旋分辨的电子结构属性与具有$ \ textrm {wse} _2 $单层的异质结构中发现的较大自旋Seebeck系数有关。
Two-dimensional materials and their heterostructures have opened up new possibilities for magnetism at the nanoscale. In this study, we utilize first-principles simulations to investigate the structural, electronic, and magnetic properties of $\textrm{Fe}/\textrm{WSe}_2/\textrm{Pt}$ systems containing pristine, defective, or doped $\textrm{WSe}_2$ monolayers. The proximity effects of the ferromagnetic Fe layer are studied by considering defective and vanadium-doped $\textrm{WSe}_2$ monolayers. All heterostructures are found to be ferromagnetic, and the insertion of the transition-metal dichalcogenide results in a redistribution of spin orientation and an increased density of magnetic atoms due to the magnetized $\textrm{WSe}_2$. There is an increase in the overall total density of states at the Fermi level due to $\textrm{WSe}_2$; however, the transition-metal dichalcogenide may lose its distinct semiconducting properties due to the stronger than van der Waals coupling. Spin-resolved electronic structure properties are linked to larger spin Seebeck coefficients found in heterostructures with $\textrm{WSe}_2$ monolayers.
