The electronic structure of lattice-matched InP/Ga0.47In0.53As heterojunctions has been studied for the three main crystallographic orientations (001), (110), and (111), using state-of-the-art local-density techniques, and treating the GaxIn1-xAs alloy by the virtual-crystal approximation. The valence-band offset does not depend on the crystallographic orientation within our numerical accuracy (≅ 10 meV). Our results and, in particular, the orientation independence of the band offset are examined within a linear-response approach in which the interface is treated as a perturbation with respect to an average, periodic crystal. This approach also allows us to describe in a physically sound and quantitatively accurate way the effects of interfacial strain. The effects of disorder-induced and electron-correlation-induced self-energies are also briefly discussed.

Electronic structure of InP/Ga0.47In0.53As interfaces

PERESSI, MARIA;BALDERESCHI, ALFONSO;RESTA, Raffaele
1990-01-01

Abstract

The electronic structure of lattice-matched InP/Ga0.47In0.53As heterojunctions has been studied for the three main crystallographic orientations (001), (110), and (111), using state-of-the-art local-density techniques, and treating the GaxIn1-xAs alloy by the virtual-crystal approximation. The valence-band offset does not depend on the crystallographic orientation within our numerical accuracy (≅ 10 meV). Our results and, in particular, the orientation independence of the band offset are examined within a linear-response approach in which the interface is treated as a perturbation with respect to an average, periodic crystal. This approach also allows us to describe in a physically sound and quantitatively accurate way the effects of interfacial strain. The effects of disorder-induced and electron-correlation-induced self-energies are also briefly discussed.
http://link.aps.org/doi/10.1103/PhysRevB.41.12106
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11368/2335232
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