Electronic structure and magnetic properties of 3d transition-metal atom adsorbed SnO monolayers

被引:18
|
作者
Nie, K. [1 ]
Wang, X. C. [1 ]
Mi, W. B. [2 ]
机构
[1] Tianjin Univ Technol, Sch Elect & Elect Engn, Tianjin Key Lab Film Elect & Communicate Devices, Tianjin 300384, Peoples R China
[2] Tianjin Univ, Sch Sci, Tianjin Key Lab Low Dimens Mat Phys & Preparat Te, Tianjin 300354, Peoples R China
关键词
SnO monolayer; Transition metal atoms; Adsorption; Spin polarization; Magnetic anisotropy; 1ST-PRINCIPLES; ADSORPTION; ANISOTROPY; MOS2;
D O I
10.1016/j.apsusc.2019.07.054
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Monolayer SnO has attracted extensive attention due to the unique electronic properties, which have potential applications in nanoelectronic and optoelectronic devices. Transition metal (TM) atoms are often used to modulate electronic structures and magnetic properties of two dimensional (2D) materials, which can facilitate the application of these materials in spintronic devices. The electronic structure and magnetic characteristics of 3d TM (TM = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu and Zn) adsorbed SnO monolayer are predicted by first-principle calculations. The n-type doping in the SnO monolayer appears when Sc, Ti, V, Cr, Mn, Fe and Zn atoms are adsorbed. Co, Ni and Cu adsorptions induce the p-type doping in the SnO monolayer. In addition, the magnetic moments of SnO in the adsorption systems are in the range from - 0.038 to 0.414 mu(B), and that reach the maximum at the case of Ni-absorbed. It is also found that Fe, Co and Ni adsorbed SnO monolayers have a perpendicular magnetic anisotropy (PMA), while Ti, V, Cr and Mn adsorbed SnO monolayers have an in-plane magnetic anisotropy (IMA). Our results indicate that TM adsorbed SnO monolayers have the potential applications in spintronic devices.
引用
收藏
页码:404 / 410
页数:7
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