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 

机构地区：[1]College of Sciences,Northeastern University,Shenyang,110819,China

出　　处：《Journal of Rare Earths》2024年第11期2137-2149,I0005,共14页稀土学报（英文版）

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)。

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) atoms.Our results demonstrate that Ln atoms can be stably doped into the single layer arsenene.Upon 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 characteristics.Most of Ln@arsenene systems favor the long-range ferromagnetic ordering.The maximum of Ln-doped systems' magnetic moments and magnetic anisotropy energy(MAE) can reach 8 μ_(B) and 7.48 meV,respectively.The doping of Ln atoms into arsenene improves the optical responses in visible and infrared regions.Strain can alter the magnetic coupling between Sm and the neighboring As atoms and reduce the system's magnetic moment.Besides,strain can improve the MAE of these systems,accompanied by the change of the easy magnetization of [e-mail],compressive and tensile strains effectively improve the optical responses in visible and ultraviolet region,respectively.Based on the obtained results,we believe that the Ln@arsenene monolayer has application prospects in photoelectronics and spintronics such as high-density memory devices.

关 键 词：Arsenene Rare earths Magnetic properties Optical properties 

分 类 号：TB34[一般工业技术—材料科学与工程] O641.1[理学—物理化学]