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Phys. Rev. B 79, 233201 (2009) [4 pages]

Time-dependent density-functional approach for exciton binding energies

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V. Turkowski1,2, A. Leonardo1, and C. A. Ullrich1
1Department of Physics and Astronomy, University of Missouri, Columbia, Missouri 65211, USA
2Department of Physics and NanoScience Technology Center, University of Central Florida, Orlando, Florida 32816, USA

Received 27 February 2009; revised 22 April 2009; published 10 June 2009

Optical processes in insulators and semiconductors, including excitonic effects, can be described in principle exactly using time-dependent density-functional theory (TDDFT). Starting from a linearization of the TDDFT semiconductor Bloch equations in a two-band model, we derive a simple formalism for calculating exciton binding energies. This formalism leads to a generalization of the standard Wannier equation for excitons, featuring a nonlocal effective electron-hole interaction determined by long-range and dynamical exchange-correlation (XC) effects. We calculate exciton binding energies in several direct-gap semiconductors using exchange-only and model XC kernels.

© 2009 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.79.233201
DOI:
10.1103/PhysRevB.79.233201
PACS:
71.15.Mb, 71.35.−y, 31.15.ee