摘要
采用规范不变分子轨道理论给出磁化率的计算公式,对C_(60),C_(70),C_(76),C_(78),C_(82)和C_(84)等π电子的磁化率进行了计算.计算结果显示出富勒烯(Fullerene)有较大的抗磁磁化率,并且具有椭球形状的富勒烯,如C_(70),C_(76)等的抗磁磁化率表现出明显的各向异性特性.
The expression for the diarnagnetic susceptibility derived using gauge invariant molecule orbital is applied to the calculation of π eletcrons of C60, C70, C76, C78, C82 and C84. The numerical results show that the fullerenes have large diarnagnetic susceptibility, and that the diarnagnetic susceptibility of some fullerenes, such as C70 and C76 etc., has remarkable anisotropy.
出处
《物理学报》
SCIE
EI
CAS
CSCD
北大核心
1996年第8期1287-1291,共5页
Acta Physica Sinica
基金
国家自然科学基金资助的课题.
