TY - JOUR
T1 - First-principles absorption spectra of Sin (n=20-28) clusters
T2 - Time-dependent local-density approximation versus predictions from Mie theory
AU - Idrobo, Juan C.
AU - Yang, Mingli
AU - Jackson, Koblar A.
AU - Öǧüt, Serdar
PY - 2006
Y1 - 2006
N2 - First-principles absorption spectra calculated within time-dependent local-density approximation for Sin (n=20-28) clusters reveal that prolate and compact clusters have distinct shape signatures, but no clear size dependence for a given shape. The shape dependence and size independence of the spectra and most of the peak positions and intensities can be explained remarkably well within the classical Mie theory, developed for light absorption by metallic particles, using the bulk dielectric function of Si. Moreover, the experimental spectrum of Si21 is in very good agreement with the theoretical spectrum of the prolate cluster, which is lower in energy than the compact one at this size.
AB - First-principles absorption spectra calculated within time-dependent local-density approximation for Sin (n=20-28) clusters reveal that prolate and compact clusters have distinct shape signatures, but no clear size dependence for a given shape. The shape dependence and size independence of the spectra and most of the peak positions and intensities can be explained remarkably well within the classical Mie theory, developed for light absorption by metallic particles, using the bulk dielectric function of Si. Moreover, the experimental spectrum of Si21 is in very good agreement with the theoretical spectrum of the prolate cluster, which is lower in energy than the compact one at this size.
UR - http://www.scopus.com/inward/record.url?scp=33750064231&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.74.153410
DO - 10.1103/PhysRevB.74.153410
M3 - Article
AN - SCOPUS:33750064231
VL - 74
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
SN - 1098-0121
IS - 15
M1 - 153410
ER -