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

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

扫码查看
原文链接
  • NETL
  • NSTL
  • 万方数据
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 μB 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 Sm@arsenene.Furthermore,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.

ArseneneRare earthsMagnetic propertiesOptical properties

Yuping Tian、Chaobo Wang、Jiaxing Duan、Binyuan Zhang、Lianlian Zhang、Weijiang Gong

展开 >

College of Sciences,Northeastern University,Shenyang,110819,China

Liaoning Revitalization Talents ProgramNatural Science Foundation of Liaoning provinceNational Natural Science Foundation of ChinaFundamental Research Funds for the Central Universities of Ministry of Education of ChinaFundamental Research Funds for the Central Universities of Ministry of Education of China

XLYC19070332023-MS-07211905027N2209005N2205015

2024

10.1016/j.jre.2023.10.024

稀土学报(英文版)
中国稀土学会

稀土学报(英文版)

CSTPCDEI
影响因子：1.3
ISSN：1002-0721
年,卷(期)：2024.42(11)