Quantum size effects in the polarizability of carbon fullerenes.
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.
Gueorguiev
G K
GK
Departamento de Física da Universidade, P-3004-516 Coimbra, Portugal.
Pacheco
J M
JM
Tománek
David
D