申报人及合作者最近提出了磁控电子能带结构效应：通过外磁场调控自旋/磁化方向，借助于自旋轨道耦合，实现电子能带结构的巨大改变。理论预测外磁场对电子能带结构的能量调控可以高达100meV，比经典的塞曼效应增大了三个数量级，高于室温下的热涨落，可用于设计新型的磁电、磁光器件。但目前该效应还缺乏完整的理论框架、合适的材料体系以及实验方面的验证。针对以上问题，本项目拟以二维磁性材料及复杂氧化物界面材料为两类主要的材料体系，通过构建物理模型，研究磁控电子能带结构效应的物理机制；采用密度泛函理论进行材料计算，筛选和设计出合适的材料体系；并通过物性模拟设计出相应的实验验证方案。本项目的顺利开展有望开辟磁控电子能带结构的研究领域，为磁电光耦合等基础研究以及磁性功能器件等应用设计提供新的思路。

The applicant and his collaborators have recently proposed the concept of magneto-electronic band structure effect. They have theoretically discovered that by exploiting the effect of spin-orbit coupling, the electronic band structure can be substantially altered by rearranging the spin/magnetization direction using an external magnetic field. The field induced energy change in the band structure can reach as large as 100 meV, three orders of magnitude larger than that typically induced by Zeeman effect. The predicted energy change overwhelms that of room-temperature thermal fluctuations, which can be utilized for the design of novel magneto-electronic and magneto-optical devices. However, as this is yet an uncharted field, a complete theoretical framework and relevant material realizations still need to be established. The applicant proposes to establish a systematic theoretical study based on two-dimensional magnetic materials and interfaces of complex transitional metal oxides. By synergically combining the density-functional calculations and constructing magnetic models, the applicant will systematically search for realistic materials with desired properties. The proposed project will open up new avenues for magnetically controlling the electronics structures and provide new approaches for future device designs.