精品文档---下载后可任意编辑Co 掺杂 ZnO 电子能级结构对其磁性的影响的开题报告题目：“Co 掺杂 ZnO 电子能级结构对其磁性的影响”摘要：本文将讨论 Co 掺杂 ZnO 材料的电子能级结构及其对磁性的影响。采纳第一性原理方法，通过 DFT 计算表征 Co 掺杂 ZnO 材料的晶体结构、能带结构、电流密度等电子性质，并探究 Co 掺杂 ZnO 材料的磁学性质的基本机理。结果表明，Co 掺杂ZnO 材料的能带结构与无掺杂的 ZnO 材料存在明显的差异，通过对 Co 掺杂量的调节可得到不同的磁学性质，此外，外部磁场与温度的变化也会对 Co 掺杂 ZnO 材料的磁学性质产生影响。关键词：Co 掺杂 ZnO，电子能级结构，磁性，第一性原理Abstract: This paper will study the electronic level structure of Co-doped ZnO materials and their effects on magnetism. The first-principles method will be used to characterize the crystal structure, band structure, current density and other electronic properties of Co-doped ZnO materials through DFT calculation, and to explore the basic mechanism of magnetic properties of Co-doped ZnO materials. The results showed that there were significant differences in the band structure of Co-doped ZnO materials and undoped ZnO materials. Different magnetic properties could be obtained by adjusting the amount of Co doping. In addition, external magnetic field and temperature changes would also affect the magnetic properties of Co-doped ZnO materials.Keywords: Co-doped ZnO, electronic level structure, magnetism, first-principles
