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中国物理学会期刊

p,n型掺杂剂与Mn共掺杂GaN的电磁性质

CSTR: 32037.14.aps.58.3324

Electronic and magnetic properties of p,n type dopant and Mn co-doped GaN

CSTR: 32037.14.aps.58.3324
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  • 采用基于密度泛函理论的第一性原理平面波赝势法计算Mg,Zn,Si,O和Mn共掺GaN,分析比较共掺杂后的电子结构和磁学性质,并分别用平均场近似的海森伯模型和Zener理论估算共掺杂后体系的居里温度(TC).计算表明:共掺杂后体系均在能隙深处产生自旋极化杂质带,具有半金属性,能产生自旋注入.p型共掺杂(GaN:Mn-Mg\Zn)后体系具有较GaN:Mn更稳定的FM态且能使TC升高;而n型共掺杂(GaN:Mn-Si\O)后体系FM态稳定性

     

    Calculation of electronic structures and magnetic properties of Mg (or Zn\Si\O) and Mn co-doped GaN were carried out by means of first-principle plane-wave pesudopotential (PWP) based on density functional theory. Estimation of Curie temperature was achieved by using Heisenberg model in the mean-field approximation and Zener theory,respectively. The spin polarized impurity bands of deep energy levels are found for several co-doped systems, which are half metallic and suitable for spin injectors. Compared with GaN:Mn,p-type co-doped (GaN:Mn-Mg\Zn) systems exhibit more stable ferromagnetic state and a significant increase in TC. Nevertheless,n-type co-doped (GaN:Mn-Si\O) systems fail to increase the TC and stability of ferromagnetic state.

     

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