Insight into strain and electronic correlation dependent magnetism in monolayer 1T-CrTe₂

Zhu, Haiyan1; Gao, Yifan1; Hou, Yusheng2; Gui, Zhigang1,3; Huang, Li1,4

2023-10-03

10.1103/PhysRevB.108.144404

PHYSICAL REVIEW B   影响因子和分区

2469-9950

2469-9969

1T-phase CrTe2 (1T-CrTe2) has received considerable interest recently due to its high Curie temperature (TC), which is desirable for practical spintronics applications. However, various magnetic behaviors of 1T-CrTe2 have been reported in recent experimental and theoretical studies when its thickness reduces to ultrathin limit. In this work, the magnetic diagram of monolayer (ML) 1T-CrTe2 with respect to in-plane biaxial strain and on-site Coulomb repulsion U is obtained based on first-principles calculations. Our results indicate that the magnetic order of ML 1T -CrTe2 can vary among ferromagnets and antiferromagnets with strain and electronic correlation. We show that the large exchange anisotropy and higher-order biquadratic interactions are crucial to accurately describe the spin energies in ML 1T-CrTe2. The perplexing dependencies of the magnetocrystalline anisotropy on strain and U are then well explained. Our work not only gives insight into the fundamental understanding of the unusual magnetic properties of ML 1T-CrTe2, which is helpful to understand the diverse observations on the magnetic order in CrTe2, but also sheds light on engineering their performance for spintronic devices.

SCI ; EI

英语

第一 ; 通讯

Ministry of Science and Technology of the Peoples Republic of China[2022YFA1402903] ; National Natural Science Foundation of China["12004160","12104518"] ; Shenzhen Science and Technology Program[KQTD20190929173815000] ; Guangdong Innovative and Entrepreneurial Research Team Program[2019ZT08C044] ; Guangdong Provincial Key Laboratory of Computational Science and Material Design[2019B030301001] ; Open Project of Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices[2022B1212010008]

Materials Science ; Physics

Materials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter

WOS:001087452500001

AMER PHYSICAL SOC

20234214913285

Magnetocrystalline anisotropy ; Spintronics

Magnetism: Basic Concepts and Phenomena:701.2 ; Magnetoelectronics (Spintronics):762 ; Atomic and Molecular Physics:931.3 ; Crystalline Solids:933.1

PHYSICS

Web of Science

1.Southern Univ Sci & Technol, Dept Phys, Shenzhen 518055, Guangdong, Peoples R China
2.Sun Yat Sen Univ, Ctr Neutron Sci & Technol, Sch Phys, Guangdong Prov Key Lab Magnetoelect Phys & Devices, Guangzhou 510275, Peoples R China
3.Southern Univ Sci & Technol, Acad Adv Interdisciplinary Studies, Shenzhen 518055, Peoples R China
4.Guangdong HongKong Macao Greater Bay Area Guangdon, Quantum Sci Ctr, Shenzhen 508045, Peoples R China

Zhu, Haiyan,Gao, Yifan,Hou, Yusheng,et al. Insight into strain and electronic correlation dependent magnetism in monolayer 1T-CrTe₂[J]. PHYSICAL REVIEW B,2023,108(14).

Zhu, Haiyan,Gao, Yifan,Hou, Yusheng,Gui, Zhigang,&Huang, Li.(2023).Insight into strain and electronic correlation dependent magnetism in monolayer 1T-CrTe₂.PHYSICAL REVIEW B,108(14).

Zhu, Haiyan,et al."Insight into strain and electronic correlation dependent magnetism in monolayer 1T-CrTe₂".PHYSICAL REVIEW B 108.14(2023).