Title

Time-Dependent Density-Functional Approach For Exciton Binding Energies

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 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.

Publication Date

6-10-2009

Publication Title

Physical Review B - Condensed Matter and Materials Physics

Volume

79

Issue

23

Number of Pages

-

Document Type

Article

Personal Identifier

scopus

DOI Link

https://doi.org/10.1103/PhysRevB.79.233201

Socpus ID

67650032960 (Scopus)

Source API URL

https://api.elsevier.com/content/abstract/scopus_id/67650032960

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