Janus Cr2BN Monolayer with Ferroelectricity and Room-Temperature Ferromagnetism

被引:0
|
作者
Yan, Xu [1 ,2 ]
Wang, Junyuan [1 ,2 ]
Liu, Yong [1 ,2 ]
Yang, Guochun [1 ,2 ,3 ,4 ]
机构
[1] Yanshan Univ, State Key Lab Metastable Mat Sci & Technol, Qinhuangdao 066004, Peoples R China
[2] Yanshan Univ, Sch Sci, Key Lab Microstruct Mat Phys Hebei Prov, Qinhuangdao 066004, Peoples R China
[3] Northeast Normal Univ, Ctr Adv Optoelect Funct Mat Res, Changchun 130024, Peoples R China
[4] Northeast Normal Univ, Key Lab UV Light Emitting Mat & Technol, Changchun 130024, Peoples R China
关键词
ELASTIC PROPERTIES; CRYSTAL; PREDICTION;
D O I
10.1002/cphc.202400538
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Janus monolayers, a special kind of two-dimensional materials, offer an exciting platform for the development of novel electronic/spintronic devices because of their out-of-plane asymmetry. Herein, we propose a sandwich liked Janus tetragonal Cr2BN monolayer with ferroelectricity and ferromagnetism through first-principles calculations. The predicted magnetic moment is up to similar to 3.0 mu(B)/Cr originating from the distorted square crystal field induced by out-of-plane asymmetry. The Cr2BN monolayer possesses an intrinsic ferromagnetism with a high Curie temperature of 383 K and a sizeable magnetic anisotropy energy of 171 mu eV/Cr. Its robust ferromagnetism, dominating by the multi-anion mediated super-exchange interactions, can even resist -5 % similar to 5 % biaxial strain. Its large cohesive energy and high dynamical/thermal stability provide a strong feasibility for experimental synthesis. These intriguing properties render the Cr2BN monolayer a promising material for nanoscale spintronic devices.
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页数:5
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