FROM TWISTRONICS TO THE CLASSROOM: A CASE-BASED APPROACH TO EXPLORATORY SOLID-STATE PHYSICS TEACHING USING CASTEP/VESTA

To address the teaching challenges in solid-state physics, such as the abstraction of core concepts and the disconnect between theoretical instruction and frontier research, this paper presents an inquiry-based teaching case centered on the band-structure study of twisted bilayer MoS₂. By introducing the frontier topic of twistronics into the classroom, the case guides students through the complete research process, including moiré superlattice construction, structural optimization, and electron band-structure calculation and analysis. With the aid of the first-principles calculation software CASTEP and the crystal visualization software VESTA, students construct a 21.79° twisted bilayer MoS₂ model, optimize its atomic geometry, and analyze its electronic band structure. This research-driven and computationally empowered teaching model helps students understand key concepts such as crystal symmetry and band theory, while also improving their abilities in computational simulation, data analysis, and complex problem solving. By integrating knowledge instruction, ability development, and exposure to frontier research, this case provides a practical paradigm for reforming foundational science and engineering courses.