能带结构的布里渊区折叠法浅析  

Analysis of Brillouin zone folding method for band structures

作　　者：吴宗铄 李旭 张海军 杨玉荣 WU Zong-shuo;LI Xu;ZHANG Hai-jun;YANG Yu-rong(National Laboratory of Solid State Microstructures,Nanjing University,Nanjing,Jiangsu 210008,China)

机构地区：[1]南京大学固体微结构物理国家重点实验室,江苏南京210093

出　　处：《大学物理》2025年第3期29-32,共4页College Physics

基　　金：国家自然科学基金(12274201)资助。

摘　　要：能带是固体材料中重要的电子性质,它是在倒空间中高对称波矢所对应的电子能量本征值的连线.能带结构和倒空间的布里渊区相联系.当二维层状结构卷曲成管状结构时,相应的倒空间也会从二维转变为一维,因而一维结构的能带可以从二维结构的布里渊区折叠得到.本文通过二维石墨烯与一维单壁碳纳米管、以及二维La_(3)Ni_(2)O_(7)层状结构与其卷曲成的纳米管的能带两个实例介绍分析了能带结构的布里渊区折叠法.Electronic band structure is a key property in solid materials.It is the connecting lines of energy eigenvalues of the high symmetric points in the Brillouin zone.As the two-dimensional layered structure is rolled into a tubular structure,the corresponding reciprocal space will also transform from two dimension to one dimension.Therefore,the energy band of a one-dimensional structure can be obtained by folding the corresponding two-dimensional Brillouin zone.In this paper,the Brillouin zone folding method of band structure is discussed from two examples,graphene and single-walled carbon nanotubes,as well as the two-dimensional La_(3)Ni_(2)O_(7) layered structure and its corresponding nanotubes by rolling the La_(3)Ni_(2)O_(7) layer.

关 键 词：能带结构 布里渊区 布里渊区折叠 第一性原理 紧束缚 

分 类 号：O4-1[理学—物理]