Determining perpendicular magnetic anisotropy in Fe/MgO/Fe magnetic tunnel junction: A DFT-based spin-orbit torque method

被引:2
作者
Huang, Bao-Huei [1 ]
Fu, Yu-Hsiang [2 ,3 ]
Kaun, Chao-Cheng [3 ]
Tang, Yu-Hui [1 ]
机构
[1] Natl Cent Univ, Dept Phys, Taoyuan 32001, Taiwan
[2] Natl Taiwan Univ, Dept Phys, Taipei 10617, Taiwan
[3] Acad Sinica, Res Ctr Appl Sci, Taipei 11529, Taiwan
关键词
First-principles calculations; Spin-transfer torque; Spin-orbit torque; Magnetic anisotropy; ENERGY; APPROXIMATION;
D O I
10.1016/j.jmmm.2023.171098
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
In our JunPy package, we have combined the first-principles calculated self-consistent Hamiltonian with divide -and-conquer technique to successfully determine the magnetic anisotropy (MA) in an Fe/MgO/Fe magnetic tunnel junction (MTJ). We propose a comprehensive analytical derivation to clarify the crucial roles of spin- orbit coupling that mediates the exchange and spin-orbit components of spin torque, and the kinetic and spin-orbit components of spin current accumulation. The angular dependence of cumulative spin-orbit torque (SOT) indicates a uniaxial MA corresponding to the out-of-plane rotations of magnetic moments of the free Fe layers. Different from the conventional MA energy calculation and the phenomenological theory for a whole MTJ, our results provide insight into the orbital-resolved SOT for atomistic spin dynamics simulation in emergency complex magnetic heterojunctions.
引用
收藏
页数:10
相关论文
共 56 条
[1]  
[Anonymous], The detailed information of JunPy package
[2]   Density-functional method for nonequilibrium electron transport -: art. no. 165401 [J].
Brandbyge, M ;
Mozos, JL ;
Ordejón, P ;
Taylor, J ;
Stokbro, K .
PHYSICAL REVIEW B, 2002, 65 (16) :1654011-16540117
[3]   THEORY OF INTERLAYER MAGNETIC COUPLING [J].
BRUNO, P .
PHYSICAL REVIEW B, 1995, 52 (01) :411-439
[4]   1ST-PRINCIPLES CALCULATION OF THE MAGNETOCRYSTALLINE ANISOTROPY ENERGY OF IRON, COBALT, AND NICKEL [J].
DAALDEROP, GHO ;
KELLY, PJ ;
SCHUURMANS, MFH .
PHYSICAL REVIEW B, 1990, 41 (17) :11919-11937
[5]  
Datta S., 1995, Electronic Transportin Mesoscopic Systems, DOI [DOI 10.1017/CBO9780511805776, DOI 10.1017/CBO9780511750540.023]
[6]   Perpendicular magnetic anisotropy at transition metal/oxide interfaces and applications [J].
Dieny, B. ;
Chshiev, M. .
REVIEWS OF MODERN PHYSICS, 2017, 89 (02)
[7]   Proximity Spin-Orbit Torque on a Two-Dimensional Magnet within van der Waals Heterostructure: Current-Driven Antiferromagnet-to-Ferromagnet Reversible Nonequilibrium Phase Transition in Bilayer CrI3 [J].
Dolui, Kapildeb ;
Petrovic, Marko D. ;
Zollner, Klaus ;
Plechac, Petr ;
Fabian, Jaroslav ;
Nikolic, Branislav K. .
NANO LETTERS, 2020, 20 (04) :2288-2295
[8]   Transverse Spin-Gradient Functional for Noncollinear Spin-Density-Functional Theory [J].
Eich, F. G. ;
Gross, E. K. U. .
PHYSICAL REVIEW LETTERS, 2013, 111 (15)
[9]   On-site approximation for spin-orbit coupling in linear combination of atomic orbitals density functional methods [J].
Fernandez-Seivane, L. ;
Oliveira, M. A. ;
Sanvito, S. ;
Ferrer, J. .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2006, 18 (34) :7999-8013
[10]   A phenomenological theory of damping in ferromagnetic materials [J].
Gilbert, TL .
IEEE TRANSACTIONS ON MAGNETICS, 2004, 40 (06) :3443-3449