TY - JOUR
KW - paper
AU - Silvana Botti
AU - N Vast
AU - Lucia Reining
AU - Olevano V
AU - LC Andreani
AB - We present a study of the dielectric response of (GaAs)(p)/(AlAs)(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 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.
BT - Phys. Rev. B
CY - ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
DA - JUL
DO - 10.1103/PhysRevB.70.045301
M1 - 4
N2 - We present a study of the dielectric response of (GaAs)(p)/(AlAs)(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 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.
PB - AMERICAN PHYSICAL SOC
PP - ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
PY - 2004
T2 - Phys. Rev. B
TI - Ab initio and semiempirical dielectric response of superlattices
UR - http://dx.doi.org/10.1103/PhysRevB.70.045301
VL - 70
ER -