p,n型掺杂剂与Mn共掺杂GaN的电磁性质  

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

作　　者：邢海英[1] 范广涵[1] 周天明[1] 

机构地区：[1]华南师范大学光电子材料与技术研究所,广州510631

出　　处：《物理学报》2009年第5期3324-3330,共7页Acta Physica Sinica

基　　金：国家自然科学基金(批准号:50602018);广东省自然科学基金(批准号:06025083);广东省科技攻关计划(批准号:2006A10802001);广州市科技攻关重大项目(批准号:2005Z12D0071);粤港关键领域重点突破项目(批准号:207A010501008)资助的课题~~

摘　　要：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态稳定性和TC较GaN:Mn降低.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.

关 键 词：Mg Zn Si O和Mn共掺GaN 第一性原理 居里温度(TC) 磁学性质 

分 类 号：O481[理学—固体物理]