【摘要】：采用基于第一性原理的密度泛函理論對過渡金屬Ti和Zn摻雜單層SnSe的磁性進行研究。計算表明,Ti比Zn更易在單層SnSe體系中摻雜,Ti摻雜體系具有磁性,體系的費米能級向?qū)б苿?而Zn摻雜單層SnSe體系不具有磁性。加外電場使得Ti和Zn在單層SnSe中摻雜變難,外電場會引起Ti摻雜單層SnSe體系的電荷重新分布。在-4~4V/nm范圍內(nèi),外電場對Ti和Zn摻雜SnSe體系的磁性影響很小。
[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.
【作者單位】： 河南師范大學(xué)物理與材料科學(xué)學(xué)院;
【基金】：國家自然科學(xué)基金資助項目(61674053,11504092,11504334,U1404109) 河南省自然科學(xué)基金資助項目(162300410325)
【分類號】：O469

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本文編號：2237869