Band lineup at hexagonal Si$_x$Ge$_{1-x}$/Si$_y$Ge$_{1-y}$ alloy interfaces
Abderrezak Belabbes,
Silvana Botti,
Friedhelm Bechstedt
Abstract:The natural and true band profiles at heterojunctions formed by hexagonal Si x Ge 1−x alloys are investigated by a variety of methods: density functional theory for atomic geometries, approximate quasiparticle treatments for electronic structures, different band edge alignment procedures, and construction of various hexagonal unit cells to model alloys and heterojunctions. We demonstrate that the natural band offsets are rather unaffected by the choice to align the vacuum level or the branch point energy, as w… Show more
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