摘要
固体物理学将材料的基础理论和实际应用十分紧密地结合在一起。为了使学生更加深入地理解材料的物质结构和电子性质,利用计算机软件构建结构模型和设计实验,将晶体结构可视化。针对两种二维单层材料PBi3和P3Bi,设计了3个实验:结构优化实验、能带分析实验和能带调控实验。计算结果表明,二维单层PBi3和P3Bi具有与可见光能量相匹配的适中带隙,分别为1.50 eV和1.03 eV,而且能够通过施加应变的方法得到有效调控,实现半导体-金属的转变。该实验设计不仅锻炼了学生文献查找能力和数据分析能力,而且有助于学生更加深入地理解材料的电子结构性质。
Solid state physics closely combines the basic theories of materials with practical applications. To enable students to more deeply understand the material structures and electronic properties, structural models are established by using computer software and experiments are designed to visualize the crystal structure. For two-dimensional monolayer materials of PBi3 and P3Bi, three experiments are designed: structure optimization experiments, band analysis experiments and band gap modulation experiments. The results show that the twodimensional PBi3 and P3Bi have moderate band gaps matching the visible energy, which are 1.50 eV and 1.03 eV, respectively, and can be effectively controlled by applying strain to realize the semiconductor-metal transition. This experimental design not only exerts the students’ ability of literature search and data analysis, but also helps them to understand the electronic structure of materials more deeply.
作者
张会
刘奇超
ZHANG Hui;LIU Qichao(Normal College,Shenyang University,Shengyang 110044,China;College of Mechanical Engineering,Shenyang University,Shenyang 110044,China)
出处
《实验技术与管理》
CAS
北大核心
2020年第7期128-131,共4页
Experimental Technology and Management
基金
辽宁省自然科学基金项目(20180550955)。
关键词
理论模拟
二维材料
电子结构
theoretical simulation
two-dimensional materials
electronic structure
