Ab initioand semiempirical dielectric response of superlattices

Silvana Botti, Nathalie Vast, Lucia Reining, Valerio Olevano, Lucio Claudio Andreani
2004 Physical Review B  
We present a study of the dielectric response of ͑GaAs͒ p / ͑AlAs͒ p (001) superlattices in a wide range of barrier and well widths. We applied density functional theory and a semiempirical method to obtain the superlattice band structures. These were then used as a starting point to evaluate the optical spectra and macroscopic dielectric constants using time-dependent density functional theory. In this context, we investigated the role of crystal local field effects in determining the
more » ... mining the anisotropy of the dielectric constants. Furthermore, we calculated absorption spectra including the strong continuum excitonic effect through the use of an appropriate model exchange-correlation kernel. We analyzed in detail the complementarity of the ab initio and semiempirical approaches and we compared the successes and limitations of the different approximation schemes. where GaAs and AlAs are the macroscopic dielectric constants of bulk GaAs and bulk AlAs, respectively. Apart from this simple situation, the theoretical problem of determining the macroscopic dielectric functions of smallsized heterostructures is quite complex. To obtain accurate spectroscopic properties, one has to determine the SL band structures and take properly into account confinement effects PHYSICAL REVIEW B 70, 045301 (2004)
doi:10.1103/physrevb.70.045301 fatcat:6qehxtyn3zgihjjng67bmblsui