R. Magri et A. Zunger, Effects of interfacial atomic segregation on optical properties of InAs/GaSb superlattices - art. no. 081305, PHYS REV B, 6408(8), 2001, pp. 1305
Largely because of the lack of detailed microscopic information on the inte
rfacial morphology, most electronic structure calculations on superlattices
and quantum wells assume abrupt interfaces. Cross-sectional scanning tunne
ling microscopy (STM) measurements have now resolved atomic features of seg
regated interfaces. We fit a layer-by-layer growth model to the observed ST
M profiles, extracting surface-to-subsurface atomic exchange energies. Thes
e are then used to obtain a detailed simulated model of segregated InAs/GaS
b superlattices with atomic resolution. Applying pseudopotential calculatio
ns to such structures reveals remarkable electronic consequences of segrega
tion, including a blueshift of interband transitions, lowering of polarizat
ion anisotropy, and reduction of the amplitude of heavy-hole wave functions
at the inverted interface.