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 CrS_(2) phase with an orthorhombic lattice.Our results suggest that it is stable in dynamics,thermodynamics,and mechanics.The ground state of monolayer orthorhombic CrS_(2) 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 halfmetallicity 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 CrS_(2) is an ideal candidate for future spintronics.
作者
雷博程
李奥林
周文哲
王云鹏
熊威
陈羽
欧阳方平
Bocheng Lei;Aolin Li;Wenzhe Zhou;Yunpeng Wang;Wei Xiong;Yu Chen;Fangping Ouyang(School of Physics Science and Technology,and Xinjiang Key Laboratory of Solid-State Physics and Devices,Xinjiang University,Urumqi 830046,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;School of Physics Science and Technology,and Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matter Physics,Yili Normal University,Yining 835000,China;Powder Metallurgy Research Institute and State Key Laboratory of Powder Metallurgy,Central South University,Changsha 410083,China)
基金
This work was financially supported by the Key Project of the Natural Science Program of Xinjiang Uygur Autonomous Region(Grant No.2013D01D03)
the National Natural Science Foundation of China(Grant Nos.52073308 and 12004439)
the Central South University Research Fund for Sheng Hua Scholars(Grant No.502033019)
Hunan Provincial Innovation Foundation for Postgraduate(Grant No.CX20190107)
the State Key Laboratory of Powder Metallurgy at Central South University,the Fundamental Research Funds for the Central Universities of Central South University,the Tianchi-Talent Project for Young Doctors of Xinjiang Uygur Autonomous Region(No.51052300570)
the National Science Foundation of Hunan Province(No.2021JJ30864)
the Key Project of the Natural Science Program of Xinjiang Uygur Autonomous Region(Grant No.2023D01D03)
the Outstanding Doctoral Student Innovation Project of Xinjiang University(No.XJU2023BS028).
