Excitonic Effects and the Optical Absorption Spectrum of Hydrogenated Si Clusters

Michael Rohlfing; Steven G. Louie

doi:10.1103/PhysRevLett.80.3320

Excitonic Effects and the Optical Absorption Spectrum of Hydrogenated Si Clusters

Michael Rohlfing and Steven G. Louie

Phys. Rev. Lett. 80, 3320 – Published 13 April 1998

Abstract

We calculate the optical absorption spectrum of hydrogen-terminated silicon clusters by solving the Bethe-Salpeter equation for the two-particle Green's function using an ab initio approach. The one-particle Green's function and the electron-hole interaction kernel are calculated within the $GW$ approximation for the electron self-energy operator. Very large exciton binding energies are observed. Our results for the one-particle properties and the optical absorption spectra of the clusters are in very good agreement with available experimental data.

Received 24 October 1997

DOI:https://doi.org/10.1103/PhysRevLett.80.3320

Authors & Affiliations

Michael Rohlfing and Steven G. Louie

Department of Physics, University of California, Berkeley, California 94720-7300
and Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720