Ka. Mader et A. Zunger, LOCALIZATION AND BAND-GAP PINNING IN SEMICONDUCTOR SUPERLATTICES WITHLAYER THICKNESS FLUCTUATIONS, Europhysics letters, 31(2), 1995, pp. 107-112
We consider (AlAs)(n)/(GaAs)(n) superlattices with random thickness fl
uctuations Delta n around the nominal period n. Using three-dimensiona
l pseudopotential plane-wave band theory, we show that i) any amount D
elta n/n of thickness fluctuations leads to band edge wave function lo
calization, ii) for small Delta n/n the SL band gap is pinned at the g
ap level produced by a single layer with <<wrong>> thickness n + Delta
n, iii) the bound states due to monolayer thickness fluctuations lead
to significant band gap reductions, e.g., in n = 2, 4, 6, and 10 mono
layer SLs the reductions are 166, 67, 29, and 14 meV for [111] SLs, an
d 133, 64, 36, and 27 meV for [001] SLs, iv) [001] AlAs/GaAs SLs with
monolayer thickness fluctuations have a direct band gap, while the ide
al [001] SLs are indirect for n < 4.