基于Matlab的紧束缚近似下面心立方晶格s态能带三维分析  

3D Analysis of s-state Energy Band in FCC Lattice for Tight Binding Approximation Based on Matlab

作　　者：陶松涛[1] 肖瑞春[1] 

机构地区：[1]安徽师范大学物理与电子信息学院,芜湖241000

出　　处：《上海工程技术大学学报》2012年第3期225-228,共4页Journal of Shanghai University of Engineering Science

摘　　要：鉴于许多金属如金、银、铜及半导体材料硅、锗等的晶格结构属于面心立方晶格,因此研究面心立方晶格的能带结构对金属与半导体材料性质的认识有着重要的意义.利用Matlab对面心立方晶格在紧束缚近似下的s态能带的等能面进行计算机模拟,得到简约布里渊区内的不同能量值等能面的三维清晰图像.其中,既有类似近自由电子的准球面,也有与实验获得的金属费米面相似的曲面,直观地展现了面心立方单晶s态能带在状态空间的结构形态.In view of many lattice structures of metals such as gold, silver, copper and semiconductor materials such as silicon,germanium,are a grouping of the FCC lattice,studies on energy band structure for FCC lattices present an important significance to recognize the nature of metals and semiconductor materials. Using tight binding approximation, constant energy surfaces of s-state band in FCC lattice was simulated based on Matlab, clear 3D images of constant energy surfaces with different energy values in the reduced Brillouin zone were drawn. In these images, the quasi-spherical surface in the nearly free electron approximation, and similar Fermi surface of metals from experiment were obtained, which visually show the structural shape of s-state band for FCC single crystal in state-space.

关 键 词：紧束缚近似 面心立方晶格 等能面 MATLAB软件 

分 类 号：O439[机械工程—光学工程] O481.1[理学—光学]