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Ferrimagnetic half-metallic properties of Cr/Fe δ doped MoS2 monolayer

机译:Cr / Feδ掺杂MoS 2 单层的亚铁磁半金属性能

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Using first-principles calculations, we found that Cr/Fe δ-type doping is an effective approach to modulate the electronic and magnetic properties of monolayer MoS2. Distinguished from ferromagnetic half-metallic Fe δ-type doped MoS2, Cr and Fe alternately δ-type codoped MoS2 presents half-metallic ferrimagnetism. The 3d orbitals of Cr and Fe strongly couple with the p states of their nearest neighbor S, and virtual hopping between them follows the GKA rules, thus the antiferromagnetic superexchange interaction between Cr and Fe produces the ferrimagnetic nature of the system. Our results indicated that the 3d δ-type doping in monolayer MoS2 provides an effective approach to produce a one dimensional spin-polarized transport channel.
机译:通过第一性原理计算,我们发现Cr / Feδ型掺杂是调制单层MoS 2 的电子和磁性的有效方法。从铁磁半金属Feδ型掺杂MoS 2 的区别中,Cr和Fe交替δ型共掺杂MoS 2 small>呈现半金属亚铁磁性。 Cr和Fe的3d轨道与它们最近的邻居S的p状态强烈耦合,并且它们之间的虚拟跳跃遵循GKA规则,因此Cr和Fe之间的反铁磁超交换相互作用产生了系统的亚铁磁性质。我们的结果表明,单层MoS 2 中的3dδ型掺杂提供了一种产生一维自旋极化传输通道的有效方法。

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