Room-temperature ferromagnetism and half-metallicity in monolayer orthorhombic CrS2

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外文摘要：Two-dimensional materials with high-temperature ferromagnetism and half-metallicity have the latest applications in spintronic devices.Based on first-principles calculations,we have investigated a novel two-dimensional CrS2 phase with an orthorhombic lattice.Our results suggest that it is stable in dynamics,thermodynamics,and mechanics.The ground state of monolayer orthorhombic CrS2 is both ferromagnetic and half-metallic,with a high Curie temperature of 895 K and a large spin-flipping gap on values of 0.804 eV.This room-temperature ferromagnetism and half-metallicity can maintain stability against a strong biaxial strain ranging from-5％to 5％.Meanwhile,increasing strain can significantly maintain the out-of-plane magnetic anisotropy.A density of states analysis,together with the orbital-resolved magnetic anisotropy energy,has revealed that the strain-enhanced MAE is highly related to the 3d-orbital splitting of Cr atoms.Our results suggest the monolayer orthorhombic CrS2 is an ideal candidate for future spintronics.

外文关键词：

orthorhombic CrS2Curie temperaturemagnetic anisotropy energybiaxial strainfirst-principles calculations

作者：

雷博程、李奥林、周文哲、王云鹏、熊威、陈羽、欧阳方平

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作者单位：

School of Physics Science and Technology,and Xinjiang Key Laboratory of Solid-State Physics and Devices,Xinjiang University,Urumqi 830046,China

School of Physics Science and Technology,and Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matter Physics,Yili Normal University,Yining 835000,China

School of Physics,and Hunan Key Laboratory for Super-Microstructure and Ultrafast Process,and Hunan Key Laboratory of Nanophotonics and Devices,Central South University,Changsha 410083,China

Powder Metallurgy Research Institute and State Key Laboratory of Powder Metallurgy,Central South University,Changsha 410083,China

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基金：

Key Project of the Natural Science Program of Xinjiang Uygur Autonomous RegionNational Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaCentral South University Research Fund for Sheng Hua ScholarsHunan Provincial Innovation Foundation for PostgraduateFundamental Research Funds for the Central Universities of Central South University,the Tianchi-Talent Project for Young DocState Key Laboratory of Powder Metallurgy at Central South UniversityNational Science Foundation of Hunan ProvinceKey Project of the Natural Science Program of Xinjiang Uygur Autonomous RegionOutstanding Doctoral Student Innovation Project of Xinjiang University

项目编号：

2013D01D035207330812004439502033019CX20190107510523005702021JJ308642023D01D03XJU2023BS028

出版年：

2024

DOI：

10.1007/s11467-023-1387-y

物理学前沿

高等教育出版社

物理学前沿

CSTPCD

影响因子：0.816

ISSN：2095-0462

年,卷(期)：2024.19(4)