https://doi.org/10.1007/s100530050286
Photoabsorption spectrum of small Nin (n=2-6, 13) clusters
1
Institute de physique Experimentale, Ecole Polytechnique
Federale de Lausanne, CH-1015 Lausanne, Switzerland
2
Physics Department, Virginia Commonwealth University,
Richmond, Va. 23284-2000
Received:
2
June
1998
Revised:
23
October
1998
Published online: 15 April 1999
Theoretical studies of the photoabsorption spectra of Nin clusters (n=2-6, 13) have been carried out using a linear combination of atomic orbitals molecular-orbital approach within a density functional scheme and a first-order perturbation approach. An analysis of the electronic states based on an angular-momentum decomposition around the center of mass of the cluster has been used to label the various transitions. It is shown that the spectra change significantly with size and are sensitive to the geometrical arrangement. They can be used to identify the isomers.
PACS: 36.40.-c – Atomic and molecules clusters / 61.46.+w – Clusters, nanoparticles, and nanocrystalline materials / 73.20.Dx – Electron states in low-dimensional structures (superlattices, quantum well structures and multilayers)
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 1999
