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Ab-Initiostudies Of Diffusion And Growth Phenomena On Semiconductor Surfaces

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  • EFTHIMIOS KAXIRAS

    (Department of Physics and Division of Applied Sciences, Harvard University, Cambridge, Massachusetts 02138, USA)

Abstract

We discuss the application ofab-initioquantum-mechanical calculations, based on pseudopotential local-density-functional theory, to diffusion and growth phenomena on semiconductor surfaces. We examine in detail two specific examples: adatom diffusion on theGe(111)c(2×8)reconstructed surface and surfactant-mediated homoepitaxial growth on Si substrates. In these examples, the combination of results from first-principles calculations and simple simulations helps elucidate complex dynamical phenomena. We also make predictions on the feasibility of using hydrogen as a surfactant on Si substrates, by drawing analogies between the chemical behavior of group-V or group-VI adsorbates and Si-H complexes.

Suggested Citation

  • Efthimios Kaxiras, 1996. "Ab-Initiostudies Of Diffusion And Growth Phenomena On Semiconductor Surfaces," Surface Review and Letters (SRL), World Scientific Publishing Co. Pte. Ltd., vol. 3(02), pages 1295-1303.
  • Handle: RePEc:wsi:srlxxx:v:03:y:1996:i:02:n:s0218625x96002308
    DOI: 10.1142/S0218625X96002308
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