Molecular dynamics simulation of the structure and melting transition of the Si(001) surface

J. Lampinen; Risto Nieminen; Kimmo Kaski

doi:10.1016/0039-6028(88)90435-9

Molecular dynamics simulation of the structure and melting transition of the Si(001) surface

J. Lampinen, Risto Nieminen, Kimmo Kaski

Department of Applied Physics

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Abstract

We have studied the structure and melting transition of the Si(001) surface using the molecular dynamics simulation technique together with the Stillinger-Weber model potential. The structure of the simulated surface is of the dimerized (2×1) symmetry and the surface contains spontaneous defects. The dimers are symmetric and neither buckled nor twisted. The results are compared to scanning tunneling microscope (STM) experiments. The surface induced melting starts below the bulk melting point of the sample and is found to proceed by surface roughening along the direction of highest packing density.

Original language	English
Pages (from-to)	101-112
Journal	Surface Science
Volume	200
Issue number	1
DOIs	https://doi.org/10.1016/0039-6028(88)90435-9
Publication status	Published - 1988
MoE publication type	A1 Journal article-refereed

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10.1016/0039-6028(88)90435-9

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title = "Molecular dynamics simulation of the structure and melting transition of the Si(001) surface",

abstract = "We have studied the structure and melting transition of the Si(001) surface using the molecular dynamics simulation technique together with the Stillinger-Weber model potential. The structure of the simulated surface is of the dimerized (2×1) symmetry and the surface contains spontaneous defects. The dimers are symmetric and neither buckled nor twisted. The results are compared to scanning tunneling microscope (STM) experiments. The surface induced melting starts below the bulk melting point of the sample and is found to proceed by surface roughening along the direction of highest packing density.",

author = "J. Lampinen and Risto Nieminen and Kimmo Kaski",

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T1 - Molecular dynamics simulation of the structure and melting transition of the Si(001) surface

AU - Lampinen, J.

AU - Nieminen, Risto

AU - Kaski, Kimmo

PY - 1988

Y1 - 1988

N2 - We have studied the structure and melting transition of the Si(001) surface using the molecular dynamics simulation technique together with the Stillinger-Weber model potential. The structure of the simulated surface is of the dimerized (2×1) symmetry and the surface contains spontaneous defects. The dimers are symmetric and neither buckled nor twisted. The results are compared to scanning tunneling microscope (STM) experiments. The surface induced melting starts below the bulk melting point of the sample and is found to proceed by surface roughening along the direction of highest packing density.

AB - We have studied the structure and melting transition of the Si(001) surface using the molecular dynamics simulation technique together with the Stillinger-Weber model potential. The structure of the simulated surface is of the dimerized (2×1) symmetry and the surface contains spontaneous defects. The dimers are symmetric and neither buckled nor twisted. The results are compared to scanning tunneling microscope (STM) experiments. The surface induced melting starts below the bulk melting point of the sample and is found to proceed by surface roughening along the direction of highest packing density.

U2 - 10.1016/0039-6028(88)90435-9

DO - 10.1016/0039-6028(88)90435-9

M3 - Article

SN - 0039-6028

VL - 200

SP - 101

EP - 112

JO - Surface Science

JF - Surface Science

IS - 1

ER -

Molecular dynamics simulation of the structure and melting transition of the Si(001) surface

Abstract

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