Band alignments of coherently strained GexSi1-x/Si heterostructures on <001> GeySi1-y substrates

People, R.; Bean, J. C.
February 1986
Applied Physics Letters;2/24/1986, Vol. 48 Issue 8, p538
Academic Journal
The self-consistent ab initio pseudopotential results of C. G. Van de Walle and R. M. Martin [J. Vac. Sci. Technol. B 3, 1256 (1985)] have been combined with a phenomenological deformation potential theory to estimate the band gap and band offsets for coherently strained multilayers of GexSi1-x/Si for growth on <001> GeySi1-y substrates. It is found that ΔEc is negligible and the narrower GexSi1-x gap falls within the wider Si gap (type I band alignment) if the Si in the multilayers is cubic, whereas ΔEc can be appreciable and the GexSi1-x conduction-band edge tends to be higher in energy than the Si conduction-band edge(type II band alignment) if both the Si and the GexSi1-x are strained. In particular, the present results resolve the seeming paradox which arose from interpretations of modulation doping experiments using heterojunctions grown either on Si<001> substrates or on an unstrained alloy buffer layer.


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