Excitonic optical spectrum of semiconductors obtained by time-dependent density-functional theory with the exact-exchange kernel
classification
❄️ cond-mat.mtrl-sci
keywords
excitonickerneldensity-functionalexact-exchangeobtainedopticalsemiconductorsspectrum
read the original 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.
This paper has not been read by Pith yet.
discussion (0)
Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.