First-Principles Study of the As-Mediated Growths of Si and Ge on Si(100)

Young-Jo Ko, K. J. Chang, Jae-Yel Yi (), Seong-Ju Park and El-Hang Lee
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Young-Jo Ko: Department of Physics, Korea Advanced Institute of Science and Technology, Taejon 305-701, Korea
K. J. Chang: Department of Physics, Korea Advanced Institute of Science and Technology, Taejon 305-701, Korea
Jae-Yel Yi: Korea Researc Institute of Standards and Science, PO Box 102, Yusung, Taejon 305-600, Korea
Seong-Ju Park: Department of Materials Science and Engineering, Kwangju Institute of Science and Technology, Kwangju 506-303, Korea
El-Hang Lee: Research Department, Electronics and Telecommunications Research Institute, PO Box Yusung, Taejon 305-600, Korea

Surface Review and Letters (SRL), 1998, vol. 05, issue 01, 77-80

Abstract: We study the mechanism of the As-mediated epitaxial growths of Ge and Si on Si(100) surfaces through first-principles pseudopotential calculations. On an As-monolayer-covered Si(100) surface, individual Ge or Si adatoms are found to incorporate rapidly into subsurface As sites with minimum surface diffusion. The segregation of As is initiated by the substitutional adsorptions of individual Ge or Si adatoms. Because of the rapid adatom incorporation, adatom mobility is drastically reduced, compared with the growth without surfactants, resulting in a high density of two-dimensional islands. The inclusion of gradient corrections to the LDA energies does not change our results.

Date: 1998
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DOI: 10.1142/S0218625X98000165

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