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

IF 4.3 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Journal of Physics and Chemistry of Solids Pub Date : 2023-12-03 DOI:10.1016/j.jpcs.2023.111805
Imran Khan, Jisang Hong
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引用次数: 0

摘要

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

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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来源期刊
Journal of Physics and Chemistry of Solids
Journal of Physics and Chemistry of Solids 工程技术-化学综合
CiteScore
7.80
自引率
2.50%
发文量
605
审稿时长
40 days
期刊介绍: The Journal of Physics and Chemistry of Solids is a well-established international medium for publication of archival research in condensed matter and materials sciences. Areas of interest broadly include experimental and theoretical research on electronic, magnetic, spectroscopic and structural properties as well as the statistical mechanics and thermodynamics of materials. The focus is on gaining physical and chemical insight into the properties and potential applications of condensed matter systems. Within the broad scope of the journal, beyond regular contributions, the editors have identified submissions in the following areas of physics and chemistry of solids to be of special current interest to the journal: Low-dimensional systems Exotic states of quantum electron matter including topological phases Energy conversion and storage Interfaces, nanoparticles and catalysts.
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