Structure- and spin-dependent excitation energies and lifetimes of Si and Ge nanocrystals from ab initio calculations

H.-Ch. Weissker, J. Furthmüller, and F. Bechstedt
Phys. Rev. B 69, 115310 – Published 12 March 2004
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Abstract

We calculate spin-dependent excitation energies of Ge and Si nanocrystals by means of a Δ-self-consistent-field method that considers the excitation of an electron-hole pair and thus includes the electron-hole Coulomb interaction. The method is based on local-density and local-spin-density calculations and yet reproduces the respective time-dependent local-density approximation results well. In addition, lattice contributions to the luminescence Stokes shift and the radiative lifetimes of the electron-hole pairs are calculated. All quantities are discussed in terms of their confinement dependence as well as with respect to the different behavior of Ge and Si crystallites. A detailed comparison to experimental work and to other theoretical results is presented.

  • Received 11 June 2003

DOI:https://doi.org/10.1103/PhysRevB.69.115310

©2004 American Physical Society

Authors & Affiliations

H.-Ch. Weissker, J. Furthmüller, and F. Bechstedt

  • Institut für Festkörpertheorie und Theoretische Optik, Friedrich-Schiller-Universität, Max-Wien-Platz 1, 07743 Jena, Germany

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Vol. 69, Iss. 11 — 15 March 2004

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