CdS低维纳米结构的自旋极化及光电性质的调控机理研究

项目名称： CdS低维纳米结构的自旋极化及光电性质的调控机理研究

项目编号： No.11304121

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： 李萍

作者单位： 济南大学

项目金额： 30万元

中文摘要： 低维纳米结构晶体材料是目前凝聚态物理研究的前沿领域之一，其结构的特殊性使其具有一系列体相材料所不具备的新异的力学、磁学、电学、光学等特性，具有重大现实和潜在的应用价值。主要有以下研究内容：① 利用第一性原理计算和分子动力学模拟，获得CdS纳米薄片/带/线/结的热稳定性的表征，准确表征其自旋极化、光电性质，找到性能优异、热稳定性高的CdS低维纳米半导体结构。② 以低维结构中的磁耦合作用机制为主线，弄清离子掺杂、缺陷、分子基团修饰、低维量子尺寸效应等物性调控机理，找到其对磁性纳米材料的交换作用机制的影响规律。设计出具有长程、高居里点和高自旋极化率的新型纳米铁磁性半导体材料，同时揭示低维材料体系中磁耦合作用的多样性和复杂性的原因。③ 探索CdS半导体量子结构的发光特性和发光效率，准确表征材料的光电特性，以期在可见光区发光及薄膜太阳能电池上取得较好的应用价值。

中文关键词： 硫化镉；第一性原理；磁性；半金属；量子自旋霍尔效应

英文摘要： The low-dimensional nanostructure crystal material is one of the frontier fields in condensed matter physics research. Due to its special structure, it has some novel mechanical, magnetic, electrical and optical properties different from properties of the bulk materials. The material has great practical and potential application value. The project mainly included the following contents. ① By first principle calculation and molecular dynamics simulation, we can obtain characterization of thermal stability of CdS nanosheet, nanoribbon, nanowires, nanonode, accurately characterize the spin polarization and photoelectric properties of the nanostructure materials, and find the CdS low-dimensional semiconductor structures with excellent performance and high thermal stability. ② We will investigate the magnetic coupling mechanism in low-dimensional structures, explore physical regulation mechanism of ion doping, defect, molecular group modification, and Low dimensional quantum size effect, and investigate the law of the exchange mechanism of magnetic nanomaterials. We will design a new type of nanometer ferromagnetic semiconductor materials with long range, high Curie point and high spin polarization, and reveal the multiple and complex reason of magnetic coupling mechanism in low-dimensional structures.③ We will explo

英文关键词： CdS；First-principles；Magnetism；Half-metals；Quantum spin Hall effect