Ising ferromagnetism and robust half-metallicity in two-dimensional honeycomb-kagome Cr2O3 layer

Hashmi，Arqum1,2; Nakanishi，Kenta3; Farooq，Muhammad Umar4; Ono，Tomoya5

2020-12-01

10.1038/s41699-020-00174-0

npj 2D Materials and Applications   影响因子和分区

2397-7132

2397-7132

In contrast to the current research on two-dimensional (2D) materials, which is mainly focused on graphene and transition metal dichalcogenide-like structures, studies on 2D transition metal oxides are rare. By using ab initio calculations along with Monte Carlo simulations and nonequilibrium Green’s function method, we demonstrate that the transition metal oxide monolayer (ML) of CrO is an ideal candidate for next-generation spintronics applications. 2D CrO has honeycomb-kagome lattice, where the Dirac and strongly correlated fermions coexist around the Fermi level. Furthermore, the spin exchange coupling constant shows strong ferromagnetic (FM) interaction between Cr atoms. CrO ML has a robust half-metallic behavior with a large spin gap of ~3.9 eV and adequate Curie temperature. Interestingly, an intrinsic Ising FM characteristic is observed with a giant perpendicular magnetocrystalline anisotropy energy of ~0.9 meV. Most remarkably, nonequilibrium Green’s function calculations reveal that the CrO ML exhibits an excellent spin filtering effect.

SCI ; EI

英语

其他

JSPS KAKENHI[19K15381] ; RIKEN Advanced Institute for Computational Science through the HPCI System Research project[hp190172]

Science & Technology - Other Topics ; Materials Science ; Physics

Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied

WOS:000588084500001

NATURE RESEARCH

20204609475329

Transition metal oxides ; Intelligent systems ; Monte Carlo methods ; Honeycomb structures ; Transition metals ; Calculations ; Magnetocrystalline anisotropy ; Ferromagnetism

Structural Members and Shapes:408.2 ; Metallurgy and Metallography:531 ; Magnetism: Basic Concepts and Phenomena:701.2 ; Magnetic Materials:708.4 ; Electronic Components and Tubes:714 ; Artificial Intelligence:723.4 ; Mathematics:921 ; Mathematical Statistics:922.2 ; Atomic and Molecular Physics:931.3 ; Crystalline Solids:933.1

2-s2.0-85095678579

Scopus

1.Center for Computational Sciences,University of Tsukuba,Tsukuba,305–8577,Japan
2.Kansai Photon Science Institute,National Institutes for Quantum and Radiological Science and Technology (QST),Kyoto,619-0215,Japan
3.Graduate School of Pure and Applied Sciences,University of Tsukuba,Tsukuba,305–8571,Japan
4.Department of Physics,Southern University of Science and Technology,Shenzhen,518055,China
5.Department of Electrical and Electronic Engineering,Kobe University,Kobe,657–8501,Japan

Hashmi，Arqum,Nakanishi，Kenta,Farooq，Muhammad Umar,et al. Ising ferromagnetism and robust half-metallicity in two-dimensional honeycomb-kagome Cr2O3 layer[J]. npj 2D Materials and Applications,2020,4(1).

Hashmi，Arqum,Nakanishi，Kenta,Farooq，Muhammad Umar,&Ono，Tomoya.(2020).Ising ferromagnetism and robust half-metallicity in two-dimensional honeycomb-kagome Cr2O3 layer.npj 2D Materials and Applications,4(1).

Hashmi，Arqum,et al."Ising ferromagnetism and robust half-metallicity in two-dimensional honeycomb-kagome Cr2O3 layer".npj 2D Materials and Applications 4.1(2020).