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arxiv: 0903.0027 · v1 · pith:7CP7NZ2Dnew · submitted 2009-02-28 · ❄️ cond-mat.mtrl-sci · cond-mat.other

Time-dependent density-functional approach for exciton binding energies

classification ❄️ cond-mat.mtrl-sci cond-mat.other
keywords bindingenergiesexcitonicdensity-functionaleffectsformalismmodelsemiconductors
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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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