论文标题
磁各向异性能量和金属 - 绝缘体过渡$α$ -rucl $ _3 $和OSCL $ _3 $在石墨烯上
Magnetic anisotropy energies and metal-insulator transitions in monolayers of $α$-RuCl$_3$ and OsCl$_3$ on graphene
论文作者
论文摘要
过渡金属甲氯酸盐，具有$ 4D $或$ 5D $电子，是最近有关自旋轨道耦合和强库仑相互作用的相互作用的研究的最前沿的材料。在我们的第一原理计算（DFT+$ U $+SOC）中，我们研究了石墨烯对$α$ -rucl $ _3 $和OSCL $ _3 $的单层电子和磁性的影响。尽管石墨烯在空间上具有不均匀的$ n $ type掺杂，但我们表明，\ rucl和Oscl $ _3 $的上h bard频带的占用率可以通过外部电场调谐，并允许（i）金属胰岛素过渡和（ii）磁性轴心和Anisos的控制。我们的发现指出，使用石墨烯和外部电子场来调整过渡金属紫胶单层的电子和磁性。
Transition metal thriclorides, with $4d$ or $5d$ electrons, are materials at the forefront of recent studies about the interplay of spin-orbit coupling and strong Coulomb interactions. Within our first-principles calculations (DFT+$U$+SOC) we study the effects of graphene on the electronic and magnetic properties of the monolayers of $α$-RuCl$_3$ and OsCl$_3$. Despite the spatially inhomogeneous $n$-type doping induced by graphene, we show that the occupancy of the upper Hubbard bands of MLs of \rucl and OsCl$_3$ can be tuned through external electric fields, and allows the control of (i) metal-insulator transitions, and (ii) the magnetic easy-axis and anisotropy energies. Our findings point towards the tunning of electronic and magnetic properties of transition metal thriclorides monolayers by using graphene and external electronic fields.
