An antiferromagnetic two-dimensional material: Chromium diiodides monolayer  

作　　者：Jingjing Zhang Jin Yang Liangzhong Lin JiaJi Zhu 

机构地区：[1]School of Science and Laboratory of Quantum Information Technology,Chongqing University of Posts and Telecommunications,Chongqing 400061,China [2]School of Information Engineering,Zhongshan Polytechnic,Zhongshan 528400,China

出　　处：《Journal of Semiconductors》2020年第12期79-83,共5页半导体学报（英文版）

基　　金：This work was supported by the National Natural Science Foundation of China(No.11404043);Graduate Research Innovation Project of Chongqing(No.CYS18253).

摘　　要：The two-dimensional(2D)ferromagnetic materials and the related van der Waals homostructures have attracted considerable interest,while the 2D antiferromagnetic material has not yet been reported.Based on first-principles calculations,we investigate both electronic structures and magnetic orderings of bulk and monolayer of chromium diiodides(CrI2).We demonstrate a counter-intuitive fact that the ground state of the free-standing monolayer of CrI2 is antiferromagnetic though the bulk possesses macroscopic ferromagnetic ordering.The interlayer interaction remains antiferromagnetic up to few-layer scenarios.The unique feature of CrI2 makes it an ideal workbench to investigate the relation between magnetic couplings and interlayer van der Waals interactions,and may offer an opportunity to 2D antiferromagnetic spintronic devices.

关 键 词：first-principles calculation chromium diiodide two-dimensional materials two-dimensional antiferromagnet 

分 类 号：O614.611[理学—无机化学]