ZnO稀磁半导体纳米线阵列的可控合成与磁、光、电属性研究

The diluted magnetic semiconductor (DMS) has the properties of both the magnetism and semiconductor.Therefore it has many unique potential applications in the spintronic devices which integrate the light, electricity and magnetism. The project employs hydrothermal method to synthesize the ZnO based DMS nanowire arrays and study the effects of such technical factors as different mineralizers, reaction temperatures, precursor elements and pressure (compactedness) on surface morphology, defects, growth speed and evenness of the magnetic nanowire arrays so as to achieve an effective and even introduction of atoms into the ZnO based DMS nanowire arrays as well as a precise control of nanowire array size and doping amount, investigate the doping improvement of ZnO based DMS nanowire arrays, and obtain the best technological fabrication conditions. Using the first-principles calculation, the project studies such properties of ZnO based DMS nanowire arrays as geometric property, electronic property, magneto-optical property and magnetoelectric property, discloses the magnetic resource and magnetic coupling mechanism of ZnO based DMS nanowire arrays from the atomic level, explores the influencing factors of saturation magnetic moment, exchange coupling coefficient, and Curie temperature, obtains the general technique to adjust and control the magnetism and Curie temperature of ZnO based DMS nanowire arrays, and provides experimental and theoretical basis for producing the ZnO based DMS nanowire arrays with high quality and high Curie temperature.

稀磁半导体材料兼有磁性和半导体特性，在光、电、磁功能集成等自旋电子器件方面具有广阔的应用前景。项目采用水热法合成ZnO稀磁半导体纳米线阵列，通过对比研究矿化剂种类、反应温度、前驱物成分、压力（填充度）等工艺因素对磁性纳米线阵列形态、缺陷、生长速度和均匀性的影响，实现ZnO稀磁半导体纳米线阵列掺杂原子有效的、均匀的引入以及纳米线阵列尺寸和掺杂量的精确控制，达到ZnO稀磁半导体纳米线阵列的掺杂改性研究，获得最佳制备工艺条件。结合第一性原理计算，研究ZnO稀磁半导体纳米线阵列的几何结构、电子结构以及磁光、磁电等属性，从原子层次上揭示ZnO稀磁半导体纳米线阵列的磁性来源和磁性耦合机理，探索饱和磁矩、交换耦合系数和居里温度的影响因素，获得ZnO稀磁半导体纳米线阵列铁磁性和居里温度调控的普适方法，为实验制备高质量、高居里温度的ZnO稀磁半导体纳米线阵列提供实验和理论依据。

稀磁半导体材料兼有磁性和半导体特性，在光、电、磁功能集成等自旋电子器件方面具有广阔的应用前景。项目采用低温水热法合成了ZnO纳米粉体、纳米棒、纳米线和纳米微球材料，采用水热法和磁控溅射法相结合成功制备出Co、Ni掺杂的ZnO纳米线阵列材料，系统研究了纳米线阵列的几何结构、电子结构和磁学属性；通过对比研究矿化剂种类、反应温度、前驱物成分、压力（填充度）等工艺因素对磁性纳米线阵列形态、缺陷、生长速度和均匀性的影响，实现ZnO半导体纳米材料掺杂原子有效的、均匀的引入和掺杂量的精确控制，达到ZnO半导体纳米材料的掺杂改性研究，获得部分最佳制备工艺条件。结合第一性原理计算，研究ZnO半导体纳米材料的几何结构、电子结构以及磁光、磁电等属性，从原子层次上揭示ZnO半导体纳米材料的磁性来源和磁性耦合机理，为实验制备高质量、高居里温度的ZnO半导体纳米材料提供实验和理论依据。为了探索ZnO半导体纳米材料在器件方面的应用，我们采用非平衡格林函数法研究了ZnO纳米材料和3d过渡金属掺杂ZnO纳米材料自旋器件的电子输运理机理，为ZnO半导体纳米材料的新型自旋半导体器件研究提供理论依据。另外，项目还系统研究了Bi基纳米光催化材料（BiOBr和Bi4O5Br2）在环境污染物降解方面的应用，这些高效可见光响应的光催化剂有望在实际的染料污水处理中得到应用。