基于电子电荷自由度的传统半导体微电子学奠定了现代信息社会的基础，却面临高能耗与散热难的问题。探索利用电子谷自由度作为信息载体并通过控制谷极化来设计和实现相关功能器件，有望突破传统微电子学的发展瓶颈，为设计下一代电子信息器件提供新思路。我们近期研究表明,通过交换场解除谷简并是实现谷极化的一种有效可行的方案，值得进一步深入研究。本项目计划结合紧束缚模型、低能有效模型和第一性原理电子结构计算方法，针对几类具有谷自由度的新型二维材料，如层状过渡金属硫族化合物、层状过渡金属亚磷酸盐以及第Ⅳ主族原子单层，通过交换场的引入和优化来控制谷劈裂，进而理解谷、自旋以及轨道等自由度之间的耦合效应，揭示交换场和电场对谷、自旋以及层自由度的调控机制。在研究中，我们将根据需要发展新的理论模型和计算方法，并探索利用谷和自旋自由度设计下一代信息功能器件的新原理，推动这一新兴研究领域的发展。

Traditional semiconductor microelectronics, which is based on electronic charge degree of freedom, laid the foundation of modern information society, but is facing high energy consumption and low heat dispassion. Exploring to use the valley degree of freedom as an information carrier to design electronic devices is expected to break through the bottleneck of traditional microelectronics and provide new ideas for the design of the next-generation electronic devices. Our recent studies show that lifting valley degeneracy by the exchange field is an effective method for valley polarizations and is worth to further study. By combining the tight-binding model, low energy effective model and first-principles electronic structure calculation methods, we plan to introduce and optimize the exchange field in the layered transition metal chalcogenides, layered transition metal trichalcogenides and group IV atomic monolayer, to control the valley splitting. Our study will focus on the coupling effect between the valley, spin and orbit degree of freedom and controlling mechanism of the exchange field and electric field on them. In this sturdy, we also develop new theoretical model and calculation methods and explore new design principle of next-generation information devices. These studies will deepen our understanding on the basic scientific issues of valleytronics and promote the development of this emerging research field.