Cr2XTe4 (X = Si, Ge) monolayers: a new type of two-dimensional high-T C Ising ferromagnetic semiconductors with a large magnetic anisotropy

被引:35
作者
Bai, Yihang [1 ]
Shi, Rui [2 ]
Wu, Yaxuan [1 ]
Wang, Bing [1 ]
Zhang, Xiuyun [3 ]
机构
[1] Henan Univ, Sch Phys & Elect, Inst Computat Mat Sci, Kaifeng 475004, Peoples R China
[2] China Natl Intellectual Property Adm, Patent Examinat Cooperat Henan Ctr Patent Off, Zhengzhou 450000, Peoples R China
[3] Yangzhou Univ, Coll Phys Sci & Technol, Yangzhou 225002, Jiangsu, Peoples R China
基金
中国国家自然科学基金; 中国博士后科学基金;
关键词
ferromagnetic semiconductor; high Curie temperature; spin-orbit coupling; magnetic anisotropy; INTRINSIC FERROMAGNETISM; PREDICTION; CRYSTAL;
D O I
10.1088/1361-648X/ac7f16
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
Two-dimensional (2D) ferromagnetic semiconductor (FMS) provides the ideal platform for the development of quantum information technology in nanoscale devices. However, most of them suffer from low Curie temperature and small magnetic anisotropic energy (MAE), severely limiting their practical application. In this work, by using first-principles calculations, we predicted two stable 2D materials, namely, Cr2SiTe4 and Cr2GeTe4 monolayers. Interestingly, both of them are intrinsic direct band gap FMSs (similar to 1 eV) with a large magnetization (8 mu (B) f.u.(-1)) and sizable MAE (similar to 500 mu V-e Cr-1). Monte Carlo simulations based on Heisenberg model suggest markedly high Curie temperatures of these monolayers (similar to 200 K). Besides, their high mechanical, dynamical, and thermal stabilities are further verified by elastic constants, phonon dispersion calculations, and ab initio molecular dynamics simulations. The outstanding attributes render Cr2XTe4 (X = Si, Ge) monolayers broadening the candidates of 2D FMS for a wide range of applications.
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页数:7
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