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Time-dependent density-functional approach for exciton binding energies

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Type
Preprint
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Submission Date
Identifiers
DOI: 10.1103/PhysRevB.79.233201
Source
arXiv
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Abstract

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 excitonic 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 excitonic binding energies in several direct-gap semiconductors, using exchange-only and model XC kernels.

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