CAJ | 학술논문

采用材料计算模拟软件构建材料的原子结构，通过计算得到材料的电子结构信息，可把抽象的能带用计算图谱形象地呈现出来。以二氧化钛为例，构建其晶体结构，通过计算，可得到二氧化钛的电子结构信息，得到直观的能带图，取代了课本中的简易能带图谱。这种教学方式，促进了学生对能带理论的理解和掌握，激发了学生对功能材料电子结构的学习兴趣。
채용재료계산모의연건구건재료적원자결구，통과계산득도재료적전자결구신식，가파추상적능대용계산도보형상지정현출래。이이양화태위례，구건기정체결구，통과계산，가득도이양화태적전자결구신식，득도직관적능대도，취대료과본중적간역능대도보。저충교학방식，촉진료학생대능대이론적리해화장악，격발료학생대공능재료전자결구적학습흥취。
By material computation simulation software to build the atomic structure, the electronic structure of information of material was obtained by calculating, and the abstract band gap can be present using computer mapping. Taking an example of TiO2, to build its crystal structure, titanium dioxide electronic structure of information and the intuitive band diagram are available through calculation, which has replaced the simple band gap in textbooks. In this way, students will have a better understanding and grasp of band theory. At the same time, they will be more interested in the electronic structure of functional materials.