Lanthanide atoms doped arsenene monolayer:Enhanced magnetic anisotropies,huge magnetic moments and significant strain-modulated effects

作     者：Yuping Tian Chaobo Wang Jiaxing Duan Binyuan Zhang Lianlian Zhang Weijiang Gong Yuping Tian;Chaobo Wang;Jiaxing Duan;Binyuan Zhang;Lianlian Zhang;Weijiang Gong

作者机构：College of SciencesNortheastern UniversityShenyang110819China 

出 版 物：《Journal of Rare Earths》 (稀土学报（英文版）)

年 卷 期：2024年第42卷第11期

页      面：2137-2149,I0005页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 070304[理学-物理化学(含∶化学物理)] 08[工学] 0817[工学-化学工程与技术] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0703[理学-化学] 

基　　金：Project supported by the Liaoning Revitalization Talents Program (XLYC1907033) the Natural Science Foundation of Liaoning province(2023-MS-072) the National Natural Science Foundation of China (11905027) Fundamental Re search Funds for the Central Universities of Ministry of Education of China (N2209005,N2205015) 

主　　题：Arsenene Rare earths Magnetic properties Optical properties 

摘      要：Employing the spin-polarized density functional theory(DFT),we investigated the magnetic and optical properties of buckled arsenene(β-As) after doping a whole series of lanthanide(Ln) *** results demonstrate that Ln atoms can be stably doped into the single layer *** doping Ln atoms,La,Ce,Pr,Nd,Gd,Dy and Lu@arsenene behave dilute magnetic semiconductor(DMS) properties,while the Pm,Sm,Eu,Ho,Er and Tm@arsenene show half metallic *** of Ln@arsenene systems favor the long-range ferromagnetic *** maximum of Ln-doped systems magnetic moments and magnetic anisotropy energy(MAE) can reach 8 μ_(B) and 7.48 meV,*** doping of Ln atoms into arsenene improves the optical responses in visible and infrared *** can alter the magnetic coupling between Sm and the neighboring As atoms and reduce the system s magnetic ***,strain can improve the MAE of these systems,accompanied by the change of the easy magnetization of Sm@***,compressive and tensile strains effectively improve the optical responses in visible and ultraviolet region,*** on the obtained results,we believe that the Ln@arsenene monolayer has application prospects in photoelectronics and spintronics such as high-density memory devices.