Magnetismin alkali-metal-doped wurtzite semiconductor materials controlled by strain engineering
Magnetismin alkali-metal-doped wurtzite semiconductor materials controlled by strain engineering
复制标题
应变工程控制碱金属掺杂纤锌矿半导体材料的磁性
DOI：
10.1063/1.4962857
复制
发表时间：
2016
影响因子：
3.2
通讯作者：
郭俊宏
中科院分区：
文献类型：
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作者：
郭俊宏
由于半导体材料在自旋电子学和光电子器件中的潜在应用，利用缺陷工程方法研究其磁性和光学性质已引起人们的广泛关注。本文通过第一性原理计算发现，碱金属掺杂可以显著降低掺杂纤锌矿材料的阳离子空位形成能，并表明其磁性能强烈依赖于缺陷和掺杂浓度。这种效应主要归因于掺杂到基质体系中的杂质元素引起的体积变化和原子布居数的差异。双轴应变引起的对称变形可以进一步调节这种行为。我们的研究结果表明，阳离子空位的形成可以通过应变工程和掺杂剂掺入量身定制。
The study of the magnetism and optical properties of semiconductor materials by defect engineering has attracted much attention because of their potential uses in spintronic and optoelectronic devices. In this paper, first-principle calculations discloses that cationic vacancy formation energy of the doped wurtzite materials can be sharply decreased due to alkali metal dopants and shows that their magnetic properties strongly depend on defect and doping concentration. This effect can be ascribed to the volume change induced by foreign elements doped into the host system and atomic population's difference. The symmetric deformation induced by biaxial strain can further regulate this behavior. Our results suggest that the formation of cationic vacancy can be tailored by strain engineering and dopants incorporation.