A. Franceschetti et Z. Zunger, QUANTUM-CONFINEMENT-INDUCED GAMMA-]U-CHI TRANSITION IN GAAS ALGAAS QUANTUM FILMS, WIRES, AND DOTS/, Physical review. B, Condensed matter, 52(20), 1995, pp. 14664-14670
Large GaAs domains embedded in an AlxGa1-xAs matrix act as potential w
ells for both electrons and holes, resulting in a direct band-gap syst
em. When the GaAs domains become small, however, quantum-confinement e
ffects may push the Gamma-like conduction-band state localized on GaAs
above the X-like conduction-band state of the AlxGa1-x As alloy, lead
ing to an indirect band-gap system. Using a pseudopotential band-struc
ture method, as well as the conventional one-band effective-mass appro
ximation, we investigate the nature of the direct-->indirect (Gamma-->
X) transition in GaAs/AlxGa1-xAs quantum films, wires, and dots. In th
e case of an isolated GaAs quantum structure embedded in AlAs, we find
that the critical size for the onset of the Gamma-->X transition incr
eases from similar to 31 A in a two-dimensional film through similar t
o 56 Angstrom in a one-dimensional cylindrical wire to similar to 80 A
ngstrom in a zero-dimensional spherical dot. The interaction between G
aAs quantum structures tends to reduce the critical size for the Gamma
-->X transition. We further study the effect of the alloy composition
on the Gamma-->X transition, finding that the critical size decreases
when the Ga concentration of the alloy increases. In the case of spher
ical GaAs quantum dots embedded in an AlxGa1-xAs alloy, we show that,
as a function of the dot radius and the alloy composition, different a
lignments of the band-edge states lead to different regimes of the low
est-energy optical transition.