Two-dimensional Cr_(2)Cl_(3)S_(3) Janus magnetic semiconductor with large magnetic exchange interaction and high-T_(C)  

作　　者：Lei Fu Shasha Li Xiangyan Bo Sai Ma Feng Li Yong Pu 伏磊;李沙沙;薄祥;马赛;李峰;普勇(School of Science&New Energy Technology Engineering Laboratory of Jiangsu Provence,Nanjing University of Posts and Telecommunications(NJUPT),Nanjing 210023,China)

机构地区：[1]School of Science&New Energy Technology Engineering Laboratory of Jiangsu Provence,Nanjing University of Posts and Telecommunications(NJUPT),Nanjing 210023,China

出　　处：《Chinese Physics B》2024年第9期481-485,共5页中国物理B（英文版）

基　　金：the National Natural Science Foundation of China(Grant No.12104234);the Natural Science Foundation of Jiangsu Province,China(Grant Nos.BK20210578,20KJB140004,and JSSCBS20210513);Y Pu acknowledges the National Natural Science Foundation of China(Grant Nos.61874060,U1932159,and 61911530220);Jiangsu Specially-Appointed Professor Program,the Natural Science Foundation of Jiangsu Province,China(Grant Nos.BK20181388 and 19KJA180007);the Overseas Researcher Innovation Program of Nanjing,NUPTSF(Grant No.NY217118);F Li Acknowledges the Natural Science Fund for Colleges and Universities in Jiangsu Province,China(Grant No.21KJD140005);the National Natural Science Foundation of China(Grant No.12304085).

摘　　要：The two-dimensional(2D)Janus monolayers are promising in spintronic device application due to their enhanced magnetic couplings and Curie temperatures.Van der Waals CrCl_(3) monolayer has been experimentally proved to have an in-plane magnetic easy axis and a low Curie temperature of 17 K,which will limit its application in spintronic devices.In this work,we propose a new Janus monolayer Cr_(2)Cl_(3)S_(3) based on the first principles calculations.The phonon dispersion and elastic constants confirm that Janus monolayer Cr_(2)Cl_(3)S_(3) is dynamically and mechanically stable.Our Monte Carlo simulation results based on magnetic exchange constants reveal that Janus monolayer Cr_(2)Cl_(3)S_(3) is an intrinsic ferromagnetic semiconductor with TC of 180 K,which is much higher than that of CrCl_(3) due to the enhanced ferromagnetic coupling caused by S substitution.Moreover,the magnetic easy axis of Janus Cr_(2)Cl_(3)S_(3) can be tuned to the perpendicular direction with a large magnetic anisotropy energy(MAE)of 142eV/Cr.Furthermore,the effect of biaxial strain on the magnetic property of Janus monolayer Cr_(2)Cl_(3)S_(3) is evaluated.It is found that the Curie temperature is more robust under tensile strain.This work indicates that the Janus monolayer Cr_(2)Cl_(3)S_(3) presents increased Curie temperature and out-of-plane magnetic easy axis,suggesting greater application potential in 2D spintronic devices.

关 键 词：first-principles calculations 2D materials magnetic properties ferromagentic semiconductor 

分 类 号：O469[理学—凝聚态物理]