论文标题

限制效应增强了单层1T-VSE2中的石4

Confinement effect enhanced Stoner ferromagnetic instability in monolayer 1T-VSe2

论文作者

He, Junyi, Xie, Q., Xu, Gang

论文摘要

据报道,单层1T-VSE2是一种室温的铁磁铁。在这项工作中,通过使用第一原理计算,我们揭示了单层1T-VSE2中的铁磁性起源于其固有的巨大巨大的巨大不稳定性,从而增强了限制效应,从而消除了层间耦合,并导致菲尔米级别的状态急剧增加的范围,从而消除了vermi级别的急剧增加。我们的计算还表明,石头不稳定性对层间距离非常敏感。这些结果提供了一种有用的途径,可以在几层或散装1T-VSE2中调节非磁性到铁磁过渡,这也通过扩大层间距离来阐明其Curie温度的增强。

Monolayer 1T-VSe2 has been reported as a room-temperature ferromagnet. In this work, by using first-principles calculations, we unveil that the ferromagnetism in monolayer 1T-VSe2 is originated from its intrinsic huge Stoner instability enhanced by the confinement effect, which can eliminate the interlayer coupling, and lead to a drastic increase of the density of states at the Fermi level due to the presence of Van Hove singularity. Our calculations also demonstrate that the Stoner instability is very sensitive to the interlayer distance. These results provide a useful route to modulate the nonmagnetic to ferromagnetic transition in few-layers or bulk 1T-VSe2, which also shed light on the enhancement of its Curie temperature by enlarging the interlayer distance.

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