搜索

x
中国物理学会期刊

(Ga,Mn)As 体系中Mn自补偿效应的第一性原理研究

CSTR: 32037.14.aps.53.3545

First principles study of interstitial Mn self-compensation effects in (Ga,Mn)As

CSTR: 32037.14.aps.53.3545
PDF
导出引用
  • 基于密度泛函理论的赝势平面波方法计算了处于填隙位置磁性原子(MnI)对(Ga,Mn) As体系电子结构和磁性的影响. 计算结果表明MnI在GaAs中是施主;代替Ga位的MnGa 与MnI的自旋按反铁磁序排列;静电相互作用使MnGa,MnI倾向于形成MnGa_MnI对. MnI的存在一方面补偿了(Ga,Mn)As中的空穴,降低了空穴浓度;同时还使邻近的MnG a失活. MnI的存在对获得高居里温度的(Ga,Mn)As是极为不利的.

     

    The effects of interstitial Mn (MnI) atoms on the electronic and magnet ic properties of (Ga,Mn) As are studied within the pseudopotential plane_wave f rame work based on the density functional theory. Numerical results show that MnI atoms are donors in GaAs. The Mn atoms that substitute for Ga sublattices (MnGa) and MnI are antiferromagnetically coupled. The static electrical interaction makes the MnGaand MnI atoms tend to form MnGa_MnI pairs. The MnI atoms not only compensate the holes, and reduce the hole density of (Ga,Mn)As, but also deactivate MnGaatoms. The existence of MnI atoms are very disadvantageous for obtaining (Ga,Mn)As samp les having high Curie temperatures.

     

    目录

    /

    返回文章
    返回