Microscopic mechanisms of reactions associated with silicon MBE: A molecular dynamics investigation

Donald W. Brenner; Barbara J. Garrison

doi:10.1016/0039-6028(88)90477-3

Microscopic mechanisms of reactions associated with silicon MBE: A molecular dynamics investigation

Donald W. Brenner, Barbara J. Garrison

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Abstract

A molecular dynamics simulation of the initial stages of the gas-phase epitaxy of silicon on the silicon {100{} symmetric dimer reconstructed surface has been performed. A diffusing adatom induced rearrangement of the surface reconstruction is proposed as the reaction which leads to good epitaxy. Surface diffusion is shown to play much less of a role in the reordering of the reconstruction induced by an amorphous overlayer. The results of the simulation are used to provide atomic-scale models which are consistent with experimental studies of the initial stages of silicon growth on this surface.

Original language	English (US)
Pages (from-to)	151-166
Number of pages	16
Journal	Surface Science
Volume	198
Issue number	1-2
DOIs	https://doi.org/10.1016/0039-6028(88)90477-3
State	Published - 1988

All Science Journal Classification (ASJC) codes

Condensed Matter Physics
Surfaces and Interfaces
Surfaces, Coatings and Films
Materials Chemistry

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10.1016/0039-6028(88)90477-3

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title = "Microscopic mechanisms of reactions associated with silicon MBE: A molecular dynamics investigation",

abstract = "A molecular dynamics simulation of the initial stages of the gas-phase epitaxy of silicon on the silicon {100{} symmetric dimer reconstructed surface has been performed. A diffusing adatom induced rearrangement of the surface reconstruction is proposed as the reaction which leads to good epitaxy. Surface diffusion is shown to play much less of a role in the reordering of the reconstruction induced by an amorphous overlayer. The results of the simulation are used to provide atomic-scale models which are consistent with experimental studies of the initial stages of silicon growth on this surface.",

author = "Brenner, {Donald W.} and Garrison, {Barbara J.}",

note = "Funding Information: We would like to thank Dr. H.-J. Gossman for helpful discussions about his experimental results and David Deaven and Robert Coleman for assistance with graphics routines. The financial support of the National Science Foundation, the US Office of Naval Research, and the IBM Program for the Support of the Materials and Processing Sciences is gratefully acknowledged. One of us (B.J.G.) thanks the Camille and Henry Dreyfus Foundation for additional support.",

year = "1988",

doi = "10.1016/0039-6028(88)90477-3",

language = "English (US)",

volume = "198",

pages = "151--166",

journal = "Surface Science",

issn = "0039-6028",

publisher = "Elsevier B.V.",

number = "1-2",

}

TY - JOUR

T1 - Microscopic mechanisms of reactions associated with silicon MBE

T2 - A molecular dynamics investigation

AU - Brenner, Donald W.

AU - Garrison, Barbara J.

N1 - Funding Information: We would like to thank Dr. H.-J. Gossman for helpful discussions about his experimental results and David Deaven and Robert Coleman for assistance with graphics routines. The financial support of the National Science Foundation, the US Office of Naval Research, and the IBM Program for the Support of the Materials and Processing Sciences is gratefully acknowledged. One of us (B.J.G.) thanks the Camille and Henry Dreyfus Foundation for additional support.

PY - 1988

Y1 - 1988

N2 - A molecular dynamics simulation of the initial stages of the gas-phase epitaxy of silicon on the silicon {100{} symmetric dimer reconstructed surface has been performed. A diffusing adatom induced rearrangement of the surface reconstruction is proposed as the reaction which leads to good epitaxy. Surface diffusion is shown to play much less of a role in the reordering of the reconstruction induced by an amorphous overlayer. The results of the simulation are used to provide atomic-scale models which are consistent with experimental studies of the initial stages of silicon growth on this surface.

AB - A molecular dynamics simulation of the initial stages of the gas-phase epitaxy of silicon on the silicon {100{} symmetric dimer reconstructed surface has been performed. A diffusing adatom induced rearrangement of the surface reconstruction is proposed as the reaction which leads to good epitaxy. Surface diffusion is shown to play much less of a role in the reordering of the reconstruction induced by an amorphous overlayer. The results of the simulation are used to provide atomic-scale models which are consistent with experimental studies of the initial stages of silicon growth on this surface.

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U2 - 10.1016/0039-6028(88)90477-3

DO - 10.1016/0039-6028(88)90477-3

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VL - 198

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EP - 166

JO - Surface Science

JF - Surface Science

IS - 1-2

ER -

Microscopic mechanisms of reactions associated with silicon MBE: A molecular dynamics investigation

Abstract

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