MoS2纳米结构谷/自旋电子输运及其磁电调控研究

单层二硫化钼(MoS2)及其纳米结构，由于其在谷/自旋电子学和光电子学等领域的潜在应用而倍受关注。人们已采用缺陷、掺杂、人工微结构、异质结、外加电/磁场以及应/张力等方法调控MoS2等二维层状材料的能带结构及输运性质。本项目拟采用紧束缚近似下的低能有效哈密顿模型分析，配合基于密度泛函的第一性原理计算，结合非平衡格林函数以及含时量子微扰方法，研究单层MoS2两种边缘形貌的纳米带在横向门电压、背电极栅压、外加磁场、表面局域磁矩、边缘/内部缺陷或掺杂以及电磁场辐照等情况下的电子能带结构、量子输运性质和光学特性及其相互之间的关系。关于MoS2纳米带谷/自旋电子输运及其磁电调控的研究，不仅能进一步加深对低维介观系统中量子效应的理解，而且可能为设计制造全新概念的电子、光(谷/自旋)电子器件提供理论依据。

Owing to the potential applications in the valleytronics/spintronics and optoelectronics, the monolayer molybdenum disulfide (MoS2) and its nanostructures have been paid much attention in recently years. The electronic structures and transport properties of MoS2 have been manipulated in all kinds of methods, such as doping, defects, artificial microstructure, heterostructure, external electric/magnetic fields and strain/tension. Combining with the low energy effective theorem analyzing under the tight-binding approximation, the first-principles calculation based on the density-functional theory, and the method of nonequilibrium Green's function and the time-dependent quantum perturbation theory, we should investigate the electronic structures, quantum transport and optical properties of the two typical edge shaped MoS2 nanoribbons, under the transversal gate-voltage, back gate-voltage, vertical magnetic field, local magnetic momentum, edge/internal defects or doping, and irradiation of the electromagnetic fields, and so on. The magnetic/electric manipulation about the valleytronic/spintronic features of the MoS2 nanoribbons, may be useful in deeper understanding of the quantum effects in low-dimensional mesoscopic systems, and shed some light on the design of the brand new concept electronic, optoelectronic, valleytronic and spintronic devices.