Strain enhanced magnetism of V-implanted CrI3 monolayer

Author:

Xu Jinlin1ORCID,Huang Xiaokun12ORCID,Hu Jiangnan1ORCID,Mo Yunying1ORCID,Nie Xin1ORCID,Chen Chao12ORCID,Song Guang3ORCID,Liu Jiaqian4ORCID,Liu Liang5ORCID,Jiang Xiangping12ORCID,Liu Jun-Ming16ORCID

Affiliation:

1. School of Materials Science and Engineering, Jingdezhen Ceramic University 1 , Jingdezhen 333001, China

2. National Engineering Research Center for Domestic & Building Ceramics 2 , Jingdezhen 333001, China

3. Department of Physics, Huaiyin Institute of Technology 3 , Huaian 223003, China

4. School of International Studies, Jingdezhen Ceramic University 4 , Jingdezhen 333001, China

5. School of Physics, State Key Laboratory for Crystal Materials, Shandong University 5 , Jinan 250100, China

6. National Laboratory of Solid State Microstructures, Nanjing University 6 , Nanjing 210093, China

Abstract

In recent years, one of the urgent issues for two dimensional (2D) magnetic materials is to find efficient ways in enhancing the magnetic ordering temperature Tc. It is believed that an in-plane (IP) compressive strain can greatly enhance the interatomic interactions by shortening the chemical bond length if at all possible, leading to the enlarged spin exchange and possibly higher Tc. However, a large compressive strain usually favors antiferromagnetic (AFM) ordering due to growing dominance of the Pauli exclusion principle, in contradiction with the common requirement of nonzero magnetization. In compromise, ferrimagnetic (FiM) ordering can be alternated by synthesizing artificial 2D compound with two magnetic sublattices. In this work, we propose a V-implanted CrI3 monolayer, short for V-(CrI3)2, and study its FiM ordering under a series of IP biaxial strains using the first-principles calculations and Monte Carlo simulations. It is found that the V-(CrI3)2 monolayer may evolve from the stripy-type AFM insulator toward the FiM half-metal with net magnetic moment of 5.0 μB/f.u. aligned in parallel to the ab-plane upon increasing the IP biaxial strain up to ∼−3% (compressive strain) and beyond. As the IP biaxial strain increases up to ∼−5%, the Tc of the FiM state may be raised to room temperature. This work suggests that the IP strain engineering combined with spin implantation can be an alternative strategy for enhancing 2D magnetism.

Funder

National Natural Science Foundation of China

National Key Research and Development Program of China

Natural Science Foundation of Jiangxi Province

Foundation of Jiangxi Province Education Department

Publisher

AIP Publishing

Subject

Physics and Astronomy (miscellaneous)

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