Crystallographic input data for (001)-, (110)- and (111)-oriented superlattices

Abstract

General aspects concerned with (001)-, (110)- and (111)-oriented superlattices (SLs) have been investigated. In particular, the symmetry of these systems have been derived and given in detail. As a test, the obtained data have been utilized to calculate electronic structures and gaps of a standard GaAs/AlAs system using an accurate version of the first principle full potential linear muffin-tin orbital (FPLMTO) method based on a local-density functional approximation (LDA).

First principles calculation of structural, electronic and optical properties of (001) and (110) growth axis (InN)/(GaN)n superlattices

“…Two cases will be used: SL s grown along with the (001) and (110) directions. While the structural properties of (001)-oriented semiconductor SL s have been studied in great detail by using first-principles methods, there is not a comparable amount of information about the properties of (110)-oriented SL s [12]. It is reported that (110) oriented SL s exhibit considerably different characteristics compared to those grown along the (001) direction.…”

“…It is found in literature many studies showing InN/GaN system make the design of various InN-based heterostructure devices possible [6,11]. Indeed, its bandgap can cover the whole solar spectrum solely by changing the number of GaN monolayers in InN/GaN SL s [12,15]. It is well known that crystal orientations have a significant impact on their properties and their potential applications.…”

Crystallographic input data for (001), (110) and (111)-oriented superlattices. Corrigendum

“…Equations (13)-(18) in the paper by Touaa & Sekkal [(2012), Acta Cryst. B68, 378-388] are corrected.…”