Quantum size effects in the polarizability of carbon fullerenes -: art. no. 215501

被引:58
作者
Gueorguiev, GK [1 ]
Pacheco, JM
Tománek, D
机构
[1] Univ Coimbra, Dept Fis, P-3004516 Coimbra, Portugal
[2] Complexo Interdisciplinar Univ Lisboa, Fac Ciencias, Dept Fis, Ctr Fis Teor & Computac, P-1649003 Lisbon, Portugal
[3] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA
关键词
D O I
10.1103/PhysRevLett.92.215501
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We investigate the size-dependent dielectric response of carbon fullerenes with up to 3840 atoms in the framework of the linear response theory. Our results suggest a significant polarizability enhancement due to quantum size effects with respect to classical or semiclassical calculations. The accuracy of our results, based on a parametrized Hamiltonian, is verified by ab initio time dependent density functional calculations for smaller fullerenes. Our findings underline the importance of quantum effects in the electronic response of nano- and mesoscopic systems.
引用
收藏
页码:215501 / 1
页数:4
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