Excitonic optical spectrum of semiconductors obtained by time-dependent density-functional theory with the exact-exchange kernel

Abstract

Applying the novel exact-exchange (EXX) Kohn-Sham method within time-dependent density-functional theory, we obtained the optical absorption spectrum of bulk silicon in good agreement with experiments including excitonic features. Analysis of the EXX kernel shows that inclusion of the Coulomb coupling of electron-hole pairs and the correct long-wavelength behavior in the kernel is crucial for the proper description of excitonic effects in semiconductors.

5 pages, 2 figures. 4-page version will be published in Phys. Rev. Lett

References in corpus (2)

• Excitonic effects in solids described by time-dependent density functional theory
• Exact Kohn-Sham exchange kernel for insulators and its long-wavelength behavior

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