Monolayer metal coverage of fullerenes: the optical response |
| |
Authors: | J. M. Pacheco F. Alasia H. E. Roman R. A. Broglia |
| |
Affiliation: | 113. Departamento de Fisica da Universidade, P-3000, Coimbra, Portugal 213. Dipartimento di Fisica, Università di Milano and Istituto Nazionale di Fisica Nucleare, Sezione di Milano, Via Celoria 16, I-20133, Milano, Italy 313. Institut für Theoretische Physik, Universit?t Giessen, Heinrich-Buff-Ring 16, D-35392, Giessen, Germany 413. The Niels Bohr Institute, University of Copenhagen, DK-2100, Copenhagen ?, Denmark
|
| |
Abstract: | A first-principles investigation of the photoabsorption cross section of the specially stable cluster Li12C60 is carried out, including the icosahedral symmetry of the cluster and treating the ions via ab initio pseudopotentials. The role of the coating metal is assessed by computing the same quantity for the fullerene “seed”. It is found that the main absorption features are determined by the carbon molecule, both at low and high excitation energies, in spite of a reduction of 60% for the ionization threshold of Li12C60 as compared to C60. Nonetheless the lithium coating is responsible for small yet clearly observable effects throughout the spectrum, in particular for a more structured and broad strength distribution at excitation energies below the ionization threshold of C60, and a double peak structure in the Mie resonance at ≈20 eV. |
| |
Keywords: | |
本文献已被 SpringerLink 等数据库收录! |
|