Amplification of ferromagnetic and transverse transport properties during monolayer-to-bilayer transition in MnSe2: A first-principle study

IF 5.4 3区材料科学 Q2 CHEMISTRY, PHYSICAL ACS Applied Energy Materials Pub Date : 2023-12-03 DOI:10.1016/j.jpcs.2023.111805

Imran Khan, Jisang Hong

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Abstract

Transverse anomalous transport properties are highly beneficial for spintronics applications compared with conventional longitudinal transport properties behaviors. Thus, we explore the thickness-dependent anomalous transverse transport properties of mono- and bilayer two-dimensional MnSe₂. Both structures have ferromagnetic ground states with half metallicity. The monolayer structure has a perpendicular magnetic anisotropy of 2.51 meV, and this is increased to 3.57 meV in the bilayer. We find a Curie temperature of 221 K in monolayer MnSe₂, and it reaches 286 K in the bilayer MnSe₂. Despite a relatively small anomalous Hall conductivity (AHC) in the monolayer (−30 S/cm), it is substantially enhanced to −402 S/cm in the bilayer. Due to this enhancement of the AHC, the bilayer MnSe₂ displays a large anomalous thermal Hall conductivity −0.10 W/K.m at 100 K and is further enhanced to −0.2 W/K.m at 200 K. Overall, our study may suggest that the 2D MnSe₂ can be utilized for potential spintronics applications.

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MnSe2中单层到双层转变过程中铁磁和横向输运特性的放大:第一性原理研究

与传统的纵向输运性质相比，横向异常输运性质对自旋电子学的应用非常有利。因此，我们探索了单层和双层二维MnSe2的厚度相关的异常横向输运性质。这两种结构都具有半金属丰度的铁磁基态。单层结构的垂直磁各向异性为2.51 meV，双层结构的垂直磁各向异性增加到3.57 meV。我们发现单层MnSe2的居里温度为221 K，双层MnSe2的居里温度为286 K。尽管单层中异常霍尔电导率(AHC)相对较小(−30 S/cm)，但在双层中显著增强至−402 S/cm。由于AHC的增强，双分子层MnSe2显示出较大的异常热霍尔电导率- 0.10 W/K。m在100 K，进一步增强到−0.2 W/K。m在200 K。总的来说，我们的研究可能表明二维MnSe2可以用于潜在的自旋电子学应用。

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来源期刊

ACS Applied Energy Materials Materials Science-Materials Chemistry

CiteScore

10.30

自引率

6.20%

发文量

1368

期刊介绍： ACS Applied Energy Materials is an interdisciplinary journal publishing original research covering all aspects of materials, engineering, chemistry, physics and biology relevant to energy conversion and storage. The journal is devoted to reports of new and original experimental and theoretical research of an applied nature that integrate knowledge in the areas of materials, engineering, physics, bioscience, and chemistry into important energy applications.