电场对Ti和Zn掺杂单层SnSe磁性的影响
发布时间：2018-09-11 21:18
【摘要】：采用基于第一性原理的密度泛函理论对过渡金属Ti和Zn掺杂单层SnSe的磁性进行研究。计算表明,Ti比Zn更易在单层SnSe体系中掺杂,Ti掺杂体系具有磁性,体系的费米能级向导带移动,而Zn掺杂单层SnSe体系不具有磁性。加外电场使得Ti和Zn在单层SnSe中掺杂变难,外电场会引起Ti掺杂单层SnSe体系的电荷重新分布。在-4~4V/nm范围内,外电场对Ti和Zn掺杂SnSe体系的磁性影响很小。
[Abstract]:The magnetic properties of transition metal Ti and Zn doped monolayer SnSe were investigated by density functional theory (DFT) based on first principles. The calculation results show that Ti doped with Ti is more magnetic than Zn in the system of monolayer SnSe, and the Fermi energy level guide band of the system is shifted, while the system of Zn doped monolayer SnSe is not magnetic. The addition of external electric field makes it difficult to doping Ti and Zn in monolayer SnSe. The external electric field will cause the charge redistribution of Ti doped monolayer SnSe system. In the range of -4V / nm, the external electric field has little effect on the magnetic properties of Ti and Zn doped SnSe system.
【作者单位】： 河南师范大学物理与材料科学学院;
【基金】：国家自然科学基金资助项目(61674053,11504092,11504334,U1404109) 河南省自然科学基金资助项目(162300410325)
【分类号】：O469
本文编号：2237869
[Abstract]:The magnetic properties of transition metal Ti and Zn doped monolayer SnSe were investigated by density functional theory (DFT) based on first principles. The calculation results show that Ti doped with Ti is more magnetic than Zn in the system of monolayer SnSe, and the Fermi energy level guide band of the system is shifted, while the system of Zn doped monolayer SnSe is not magnetic. The addition of external electric field makes it difficult to doping Ti and Zn in monolayer SnSe. The external electric field will cause the charge redistribution of Ti doped monolayer SnSe system. In the range of -4V / nm, the external electric field has little effect on the magnetic properties of Ti and Zn doped SnSe system.
【作者单位】： 河南师范大学物理与材料科学学院;
【基金】：国家自然科学基金资助项目(61674053,11504092,11504334,U1404109) 河南省自然科学基金资助项目(162300410325)
【分类号】：O469
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1 王藩侯;黄多辉;杨俊升;;SnSe分子外场下的基态性质和激发态性质[J];物理学报;2013年07期
，本文编号：2237869
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