Indium-indium pair correlation and surface segregation in InGaAs alloys

Jun Hyung Cho, S. B. Zhang, Alex Zunger

Research output: Contribution to journalArticle

28 Scopus citations


In-In pair correlations and In surface segregation in InxGa1-xAs alloys are studied by first-principles total-energy calculations. By calculating the substitution energy of a single In atom, we find that the near-surface energetics explains the observed In segregation on InGaAs(001)-β2(2×4) surfaces. Indium surface segregation further enhances the In site selectivity, thus the long-range ordering. We find that the [110] and [001] In-In pair correlations are repulsive and nearly isotropic in bulk but are highly anisotropic near the (001) surface. The sign of the [110] In-In interaction energies vs the distance from the surface is oscillatory. These findings explain the recent puzzling cross-sectional ×-STM results.

Original languageEnglish
Pages (from-to)3654-3657
Number of pages4
JournalPhysical Review Letters
Issue number16
StatePublished - 2000 Jan 1

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