Intrinsic ferromagnetism with high temperature, strong anisotropy and controllable magnetization in the CrX (X = P, As) monolayer

被引:65
作者
Ma, An-Ning [1 ]
Wang, Pei-Ji [1 ]
Zhang, Chang-Wen [1 ]
机构
[1] Jinan Univ, Sch Phys & Technol, Jinan 250022, Shandong, Peoples R China
关键词
TUNABLE MAGNETISM; HALF-METALS; 1ST-PRINCIPLES; SPINTRONICS; GRAPHENE; SUPEREXCHANGE; CRYSTAL; MXENES;
D O I
10.1039/c9nr10322h
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
2D ferromagnetic (FM) materials with high temperature, large magnetocrystalline anisotropic energy (MAE), and controllable magnetization are highly desirable for novel nanoscale spintronic applications. Herein by using DFT and Monte Carlo simulations, we demonstrate the possibility of realizing intrinsic ferromagnetism in 2D monolayer CrX (X = P, As), which are stable and can be exfoliated from their bulk phase with a van der Waals layered structure. Following the Goodenough-Kanamori-Anderson (GKA) rule, the long-range ferromagnetism of CrX is caused via a 90 degrees superexchange interaction along Cr-P(As)-Cr bonds. The Curie temperature of CrP is predicted to be 232 K based on a Heisenberg Hamiltonian model, while the Berezinskii-Kosterlitz-Thouless transition temperature of CrAs is as high as 855 K. In contrast to other 2D magnetic materials, the CrP monolayer exhibits a significant uniaxial MAE of 217 mu eV per Cr atom originating from spin-orbit coupling. Analysis of MAE reveals that CrP favors easy out-of-plane magnetization, while CrAs prefers easy in-plane magnetization. Remarkably, hole and electron doping can switch the magnetization axis in between the in-plane and out-of-plane direction, allowing for the effective control of spin injection/detection in 2D structures. Our results offer an ideal platform for realizing 2D magnetoelectric devices such as spin-FETs in spintronics.
引用
收藏
页码:5464 / 5470
页数:7
相关论文
共 66 条
  • [1] Back to basics
    Adachi, Hiroto
    [J]. NATURE PHYSICS, 2015, 11 (09) : 707 - 708
  • [2] NEW APPROACH TO THE THEORY OF SUPEREXCHANGE INTERACTIONS
    ANDERSON, PW
    [J]. PHYSICAL REVIEW, 1959, 115 (01): : 2 - 13
  • [3] Two-Dimensional Intrinsic Half-Metals With Large Spin Gaps
    Ashton, Michael
    Gluhovic, Dorde
    Sinnott, Susan B.
    Guo, Jing
    Stewart, Derek A.
    Hennig, Richard G.
    [J]. NANO LETTERS, 2017, 17 (09) : 5251 - 5257
  • [4] Phonons and related crystal properties from density-functional perturbation theory
    Baroni, S
    de Gironcoli, S
    Dal Corso, A
    Giannozzi, P
    [J]. REVIEWS OF MODERN PHYSICS, 2001, 73 (02) : 515 - 562
  • [5] IMPROVED TETRAHEDRON METHOD FOR BRILLOUIN-ZONE INTEGRATIONS
    BLOCHL, PE
    JEPSEN, O
    ANDERSEN, OK
    [J]. PHYSICAL REVIEW B, 1994, 49 (23): : 16223 - 16233
  • [6] Buschow K.H. J., 2003, PHYS MAGNETISM MAGNE, V92
  • [7] Experimental Observation of the Quantum Anomalous Hall Effect in a Magnetic Topological Insulator
    Chang, Cui-Zu
    Zhang, Jinsong
    Feng, Xiao
    Shen, Jie
    Zhang, Zuocheng
    Guo, Minghua
    Li, Kang
    Ou, Yunbo
    Wei, Pang
    Wang, Li-Li
    Ji, Zhong-Qing
    Feng, Yang
    Ji, Shuaihua
    Chen, Xi
    Jia, Jinfeng
    Dai, Xi
    Fang, Zhong
    Zhang, Shou-Cheng
    He, Ke
    Wang, Yayu
    Lu, Li
    Ma, Xu-Cun
    Xue, Qi-Kun
    [J]. SCIENCE, 2013, 340 (6129) : 167 - 170
  • [8] Scalable and Sustainable Approach toward Highly Compressible, Anisotropic, Lamellar Carbon Sponge
    Chen, Chaoji
    Song, Jianwei
    Zhu, Shuze
    Li, Yiju
    Kuang, Yudi
    Wan, Jiayu
    Kirsch, Dylan
    Xu, Lisha
    Wang, Yanbin
    Gao, Tingting
    Wang, Yilin
    Huang, Hao
    Gan, Wentao
    Gong, Amy
    Li, Teng
    Xie, Jia
    Hu, Liangbing
    [J]. CHEM, 2018, 4 (03): : 544 - 554
  • [9] Itinerant G-type antiferromagnetic order in SrCr2As2
    Das, Pinaki
    Sangeetha, N. S.
    Lindemann, George R.
    Heitmann, T. W.
    Kreyssig, A.
    Goldman, A. I.
    McQueeney, R. J.
    Johnston, D. C.
    Vaknin, D.
    [J]. PHYSICAL REVIEW B, 2017, 96 (01)
  • [10] ELECTRONIC ANALOG OF THE ELECTROOPTIC MODULATOR
    DATTA, S
    DAS, B
    [J]. APPLIED PHYSICS LETTERS, 1990, 56 (07) : 665 - 667