Bucky管的自洽场晶体轨道研究  

Self-Consistent Field Crystal Orbital Study on the Model Bucky Tubes

作　　者：黄元河[1] 张红群[1] 刘若庄[1] 

机构地区：[1]北京师范大学化学系,北京100875

出　　处：《化学学报》1994年第1期99-101,共3页Acta Chimica Sinica

基　　金：国家自然科学基金资助的项目

摘　　要：最近,对具有空心圆筒形结构的Bucky灯管的研究引起了人们的兴趣.这种由碳原子组成的新结构具有潜在的电子装置应用可能性。The band structures of the model bucky tubes are obtained by ONDO SOF-CO, which show that the bucky tubes can be metals or semiconductors. The bond lengths of some model tubes are optimized energetically. The calculated data of the bond-equal forms are compared with those of the bond-unequal forms.

关 键 词：布基管 自洽场 晶体轨道 碳原子 

分 类 号：O613.71[理学—无机化学]