ZnS基稀磁半导体材料结构和物性研究

By using of the electronic charge and spin attribute at the same time, Dilute magnetic semiconductor materials have broad application prospects in the magnetic sensors, high density non-volatile memory, optical isolator, semiconductor integrated circuits, semiconductor laser and spin quantum computers and other fields. With the in-depth development of dilute magnetic semiconductor materials research, transition temperature has been greatly improved. But for practical application, higher transition temperature is needed. Theoretical researches on transition metal doped II - VI semiconductor nanostructures predicte that these materials will present a higher transition temperature. ZnS is an important II-VI direct band gap semiconductor,which has a wide range of applications in areas such as displays, sensors, lasers, and catalytic. This project uses the combination of structural modeling and first-principles calculation method to study the structure and physical properties of ZnS diluted magnetic semiconductor materials. We will examine impurity atom type, lattice distortion on the magnetic effect of the system. By comparing to experimental results, which enrich the ZnS diluted magnetic semiconductor materials understanding. Based on deep understanding the structural features, we will futher study their properties to provide theoretical reference for experiments and applications.

稀磁半导体材料同时利用电子的电荷属性和自旋属性，在磁感应器、高密度非易失性存储器、光隔离器、半导体集成电路、半导体激光器和自旋量子计算机等领域有广阔的应用前景。随着稀磁半导体材料研究的深入开展，材料的转变温度已经得到很大的提高。但是对于实际应用而言，需要更高的转变温度。关于过渡金属掺杂II-VI半导体结构理论工作预言这些材料将会呈现出较高的转变温度。ZnS是一种重要的II-VI族直接带隙半导体，在显示器、传感器、激光和催化等领域有着广泛的应用。本项目采用结构建模和第一性原理计算相结合的方法，系统研究ZnS基稀磁半导体材料的结构和物理性能，我们将考察掺杂原子类型、缺陷种类以及体系晶格畸变等对材料磁性能的影响，揭示材料的结构与物理性质之间的联系，对比实验结果，完善对ZnS基稀磁半导体材料的认识。在深入理解结构特征的基础上进一步探索其性质，为实验制备和实际应用提供理论参考。

稀磁半导体材料同时利用电子的电荷属性和自旋属性，在磁感应器、高密度非易失性存储器、光隔离器、半导体集成电路、半导体激光器和自旋量子计算机等领域有广阔的应用前景。随着稀磁半导体材料研究的深入开展，材料的转变温度已经得到很大的提高。但是对于实际应用而言，需要更高的转变温度。关于过渡金属掺杂II-VI半导体结构理论工作预言这些材料将会呈现出较高的转变温度。ZnS是一种重要的II-VI族直接带隙半导体，在显示器、传感器、激光和催化等领域有着广泛的应用。运用第一性原理方法开展了对低维ZnS材料的结构和物理性质的研究。主要研究了零维ZnS团簇、一维硫化锌纳米线、纳米管的结构稳定性、电子性质和掺杂磁性质。