超宽禁带半导体原子尺度结构与电子结构表征及其动态演变

第三代超宽禁带半导体正逐步成为未来移动通信、人工智能等领域发展的核心材料。厘清晶体结构与电子结构的关联是解析其复杂电学性质的关键一环，直接关系到相关器件及核心技术的自主设计、研发和创新。本项目拟结合具有亚埃尺度分辨能力的像差校正电子显微技术与高空间分辨的局域电场表征技术（例如电子全息、SAAF（segmented annular all-field）技术），以超宽禁带半导体为主要研究对象，针对其多相结构、缺陷处的原子、电子结构开展系统研究，厘清在应力场和电场耦合作用下可能存在的相变机理以及缺陷处的原子、电子结构的动态演变，进一步辅助以必要的第一性原理计算等，试图建立材料微观结构与宏观电学性质的关联。项目的顺利完成有助于推动超宽禁带半导体的研发与应用，而且将完善与发展针对半导体材料电子结构的实验表征手段。

The third generation ultra wide-band gap semiconductors play pivotal roles in developing future mobile communications and artificial intelligence technologies. Probing the relationship between the crystal structure and electronic structure constitutes the key step towards the fundamental understanding of the complex electrical properties in semiconductors, which is the prerequisite for independent design, development, and innovation of the related devices and core technologies. Combining both the aberration-corrected transmission electron microscopy with sub-angstrom spatial resolution and the localized electric field characterization technique (electron holography and SAAF (segmented annular all-field) technique) with high precision, the project aims to provide the basic insights into the structural characteristics in the multiphases, especially the atomic and electronic structures of defects in ultra wide-band gap semiconductors, as well as their dynamic evolutions subjected to coupled external stimuli including the mechanical stress and (or) electric field. In addition, assisted by the theoretical investigations, such as first-principles calculation, the project intends to facilitate the basic understanding of the structure-electronic property relationships. The results will provide reference for the property-oriented structural design of ultra wide-band gap semiconductors, and also contribute to the development of the experimental methods applied for investigating the electronic structures in semiconductors.