摘要
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。
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 Ti O2, 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.
出处
《中国现代教育装备》
2014年第23期9-11,共3页
China Modern Educational Equipment
基金
重庆市高等教育教学改革研究项目(编号:133016
103107)
