非金属/过渡金属共掺杂的GaN纳米线可控制备及室温铁磁性研究

项目名称： 非金属/过渡金属共掺杂的GaN纳米线可控制备及室温铁磁性研究

项目编号： No.11304246

项目类型： 青年科学基金项目

立项/批准年度： 2014

项目学科： 数理科学和化学

项目作者： 陈国祥

作者单位： 西安石油大学

项目金额： 26万元

中文摘要： GaN基一维稀磁半导体纳米线优异的物化性能，使其在稀磁半导体领域展现出极大的应用潜力和研究价值。本研究拟采用碳热还原氨化法对C/(Fe、Ni)共掺杂的一维GaN纳米线可控制备过程中样品的形貌、结构、磁性进行调控并测试其室温铁磁性。采用基于密度泛函理论的第一性原理方法，研究C/(Fe、Ni)共掺杂的一维GaN纳米线的结构稳定性、电子结构和磁学性质。针对不同的掺杂浓度和掺杂离子，从微观结构出发分析掺杂系统的铁磁性，建立微观结构与铁磁性间的关系。结合理论和实验的研究结果，总结不同掺杂离子和不同掺杂浓度对GaN基一维稀磁半导体纳米线室温铁磁性的影响，为其掺杂工艺提供实践设计方向；探索出可控制备高质量、室温铁磁性的GaN基稀磁半导体纳米线所需的工艺参数；揭示GaN基一维稀磁半导体纳米线的铁磁性起源。本项目的研究将为高质量、室温铁磁性的稀磁半导体材料制备提供技术支持和理论依据。

中文关键词： GaN纳米材料；稀磁半导体；铁磁性；碳热法；第一性原理

英文摘要： The GaN-based one dimensional diluted magnetic semiconductor nanowires have shown great potential applications and research values due to theirs excellent physical and chemical properties. We synthesize C/(Fe、Ni) co-doped one-dimensional GaN nanowires by using the carbothermal reduction nitridation, and regulate morphology, structure and magnetic properties of the sample and measure theirs the room temperature ferromagnetism. Study the structural stability, electronic structure and magnetic properties of the C/(Fe、Ni) co-doped one-dimensional GaN nanowires by using the first principles method based on density functional theory. For different doped concentrations and different doped ions, analyze ferromagnetism of the doped systems from the point of theirs microstructures, and establish the law between the doped structure and ferromagnetism. Based on the experimental and theoretical study, summarize the different doped concentrations and different doped ions affecting the ferromagnetism of GaN-based one-dimensional diluted magnetic semiconductor nanowires, offers practical design direction for its doped process， explore the process controllable preparation of high-quality, ferromagnetism of GaN-based diluted magnetic semiconductor nanowires required technical parameters, reveal thiers ferromagnetic origin. The st

英文关键词： GaN nanomaterials；Diluted magnetic semiconductors；Ferromagnetism；Carbothermal method；First-principles