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First-Principles Study of InAs/GaAs(001) Heteroepitaxy

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Quantum Dots: Fundamentals, Applications, and Frontiers

Part of the book series: NATO Science Series ((NAII,volume 190))

Abstract

Density-functional theory calculations are employed to obtain important information about the morphology of III–V semiconductor surfaces and kinetics of epitaxial growth. In this way, insight into the microscopic processes governing quantum dot formation in InAs/GaAs(001) heteroepitaxy is gained. First, we investigate theoretically the atomic structure and thermodynamics of the wetting layer formed by InAs deposition on GaAs(001), including the effect of strain in our discussion. Secondly, we present results about In adatom diffusion both on the wetting layer and on the c(4 × 4)-reconstructed GaAs(001) surface. In the latter case, we demonstrate the importance of mechanical stress for the height of surface diffusion barriers. Implications for the growth of InAs quantum dots on GaAs(001) are discussed.

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Author information

Authors and Affiliations

  1. Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195, Berlin-Dahlem, Germany

    Evgeni Penev & Peter Kratzer

Authors
  1. Evgeni Penev
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  2. Peter Kratzer
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Editor information

Editors and Affiliations

  1. The Blackett Laboratory, Imperial College London, UK

    Bruce A. Joyce  & Dimitri D. Vvedensky  & 

  2. Physics Department, University of Crete, Heraclion, Crete, Greece

    Pantelis C. Kelires

  3. Foundation for Research and Technology-Hellas (FORTH), Heraclion, Crete, Greece

    Pantelis C. Kelires

  4. Institute of Physics, National Academy of Sciences of Ukraine, Kiev, Ukraine

    Anton G. Naumovets

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Penev, E., Kratzer, P. (2005). First-Principles Study of InAs/GaAs(001) Heteroepitaxy. In: Joyce, B.A., Kelires, P.C., Naumovets, A.G., Vvedensky, D.D. (eds) Quantum Dots: Fundamentals, Applications, and Frontiers. NATO Science Series, vol 190. Springer, Dordrecht. https://doi.org/10.1007/1-4020-3315-X_2

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