Magnetism induced by Mn atom doping in SnO monolayer

被引：9
|
作者：
Han, Ruilin [1 ]
Yan, Yu [2 ]
机构：
[1] Shanxi Univ, Coll Phys & Elect Engn, Taiyuan 030006, Shanxi, Peoples R China
[2] Jilin Univ, Dept Phys, Minist Educ, Key Lab Phys & Technol Adv Batteries, Changchun 130012, Jilin, Peoples R China
来源：
CHINESE PHYSICS B | 2018年 / 27卷 / 11期
关键词：
SnO monolayer; ferromagnetism; first-principles; doping; STRUCTURE REFINEMENT; TRANSITION; OXIDE; NANOSHEETS; 1ST-PRINCIPLES; MOSE2; FILMS; GAS;
D O I：
10.1088/1674-1056/27/11/117505
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The structural, magnetic properties, and mechanism of magnetization of SnO monolayer doped with 3d transition metal Mn atom were studied using first-principles calculations. The calculated results show that the substitution doping is easier to realize under the condition of oxygen enrichment. Numerical results reveal that the spin-splitting defect state of the Mn doped system is produced in the band gap and the magnetic moment of 5.0 mu(B) is formed. The induced magnetic moment by Mil(sub) is mostly derived from the 3d orbital of the doped Mn atom. The magnetic coupling between magnetic moments caused by two Mn atoms in SnO monolayer is a long-range ferromagnetic, which is due to the hole-mediated p-p and p-d interactions. The calculated results suggest that room-temperature ferromagnetism in a SnO monolayer can be induced after substitutional doping of a Mn atom.
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页数：5
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