二维范德华杂化铁磁体(Fe3GeTe2/Co3GeTe2)的电子和磁性调谐

K. M. Athira, B. R. Bhagat, A. Dashora
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引用次数: 0

摘要

最近发现的Fe3GeTe2单层的本征铁磁性不仅扩展了二维磁性材料的家族,而且激发了人们对在不改变结构性质或引入缺陷的情况下调整其磁性的可能性的进一步兴趣。我们研究了范德-瓦尔斯相互作用在这种层状材料中的作用。结果表明,在密度泛函理论方法中加入vdW相互作用可以使二维vdW铁磁体的电子和磁性能更加精确。为了寻找新的vdW铁磁体,我们研究了Co3GeTe2和Fe3GeTe2/Co3GeTe2的杂化层状结构。在Fe3GeTe2中加入Co后,Fe3GeTe2的磁性和电子性能发生了显著变化。Fe3GeTe2的自旋极化为53%,而Co3GeTe2和杂化结构的自旋极化为负。我们已经观察到自旋极化的反转是由Co引起的,并且自旋极化的振幅也取决于层状Fe3GeTe2中的Co浓度。因此,可以通过杂化结构对二维vdW铁磁体的本征磁性进行调谐,这对设计新型二维本征磁性材料具有重要意义。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Tuning of electronic and magnetic properties in 2D van der Waals hybrid ferromagnet (Fe3GeTe2/Co3GeTe2)
Recent discovery of intrinsic ferromagnetism in Fe3GeTe2 monolayer not only extended the family of 2D magnetic materials, but also stimulated further interest in the possibility to tune their magnetic properties without changing the structural properties or introducing defects. We have studied the role of van-der-Waals (vdW) interaction in such layered materials. It is seen that the incorporation of vdW interaction within density functional theory approach gives more accurate electronic and magnetic properties in 2D vdW ferromagnet. In search of new vdW ferromagnet, we have studied Co3GeTe2 and hybrid layered structure of Fe3GeTe2/Co3GeTe2. Significant changes in magnetic and electronic properties are observed on Co insertion in Fe3GeTe2. Spin polarization of 53% is calculated for Fe3GeTe2, while for Co3GeTe2 and hybrid structure negative spin polarization is obtained. We have observed the reversal of spin polarization due to Co and the amplitude of spin polarization also depends on Co concentration in the layered Fe3GeTe2. Therefore, the intrinsic magnetic properties of 2D vdW ferromagnet can be tuned by making hybrid structure which is very useful in designing new 2D intrinsic magnetic material.
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