Monolayer puckered pentagonal VTe_(2):An emergent two-dimensional ferromagnetic semiconductor with multiferroic coupling  

作　　者：Xuanyi Li Zhili Zhu Qing Yang Zexian Cao Yeliang Wang Sheng Meng Jiatao Sun Hong-Jun Gao 

机构地区：[1]Institute of Physics and University of Chinese Academy of Sciences,Chinese Academy of Sciences,Beijing 100190,China [2]School of Information and Electronics,MIIT Key Laboratory for Low-Dimensional Quantum Structure and Devices,Beijing Institute of Technology,Beijing 100081,China [3]CAS Center for Excellence in Topological Quantum Computation,Beijing 100049,China [4]BIT Chongqing Center for Microelectronics and Microsystems,Chongqing 401332,China

出　　处：《Nano Research》2022年第2期1486-1491,共6页纳米研究（英文版）

基　　金：supported by the National Key Research and Development Program of China(Nos.2020YFA0308800,2016YFA0202300,and 2016YFA0300902);the National Natural Science Foundation of China(Nos.91850120 and 11974045);the Strategic Priority Research Program(B)of CAS(No.XDB30000000)。

摘　　要：Two-dimensional(2D)magnetic crystals have been extensively explored thanks to their potential applications in spintronics,valleytronics,and topological superconductivity.Here we report a novel monolayer magnet,namely puckered pentagonal VTe_(2)(PP-VTe_(2)),intriguing atomic and electronic structures of which were firmly validated from first-principles calculations.The PP-VTe_(2) exhibits strong intrinsic ferromagnetism and semiconducting property distinct from the half-metallic bulk pyrite VTe_(2)(BP-VTe_(2))phase.An unusual magnetic anisotropy with large magnetic exchange energies is found.More interestingly,the multiferroic coupling between its 2D ferroelasticity and in-plane magnetization is further identified in PP-VTe_(2),lending it unprecedented controllability with external strains and electric fields.Serving as an emergent 2D ferromagnetic semiconductor with a novel crystal structure,monolayer PP-VTe_(2) provides an ideal platform for exploring exotic crystalline and spin configurations in low-dimensional systems.

关 键 词：FIRST-PRINCIPLES puckered pentagonal VTe_(2) ferromagnetic semiconductor FERROELASTICITY 

分 类 号：TN304.5[电子电信—物理电子学] TB383[一般工业技术—材料科学与工程]