Recent advancements in internet technology and computing have opened new avenues for transforming traditional university physics education. Semiconductor physics, a fundamental aspect of these courses, stands to gain significantly from modern, innovative teaching approaches. This paper explores the integration of advanced first-principles computational methods with single-crystal silicon materials to enhance the quality and effectiveness of semiconductor physics instruction. By elucidating the theoretical foundations of first-principles calculations and their practical applications in teaching semiconductor crystal structures, electronic properties, impurities, and defects, this study provides practical insights and theoretical support for reforming semiconductor physics education. The aim is to improve educational outcomes and foster greater student engagement and creativity in the field.