Size dependence of the electronic and magnetic properties of fullerenes (C-60-C-240)

被引:5
作者
Tarento, RJ
Joyes, P
机构
[1] Laboratoire de Physique des Solides, Université Paris-Sud
来源
ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS | 1996年 / 37卷 / 02期
关键词
D O I
10.1007/s004600050023
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
We use the Gutzwiller method for studying various characteristic energies of fullerences in the free state (first and second ionization energy, electron affinity and singlet and triplet excitation energies). The stability of spin density wave (SDW) in fullerene has been investigated. The critical value of (U/beta) (U intraatomic correlation energy, beta transfer energy to stabilize SDW) is equal to 3 in C-60 and 4.25 in C-240 (icosahedrally symmetric C-240).
引用
收藏
页码:165 / 167
页数:3
相关论文
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