Direct methods determination of the Si(111)-(6 × 6)Au surface structure

D. Grozea; E. Landree; L. D. Marks; R. Feidenhans'l; M. Nielsen; R. L. Johnson

doi:10.1016/S0039-6028(98)00660-8

Direct methods determination of the Si(111)-(6 × 6)Au surface structure

D. Grozea^*, E. Landree, L. D. Marks, R. Feidenhans'l, M. Nielsen, R. L. Johnson

^*Corresponding author for this work

Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

28 Scopus citations

Abstract

The atomic structure of the Au 6 × 6 on Si(111) phase has been determined using direct methods and surface X-ray diffraction data. This surface structure is very complicated, with 14 independent gold atoms, relaxations in 24 independent silicon sites and three partially occupied gold sites. In one sense the structure can be described as microdomains of the parent √3 × √3 Au on Si(111) structure. A better description is in terms of a tiling of incomplete pentagonal and trimer units, essentially a pseudopentagonal glass. In terms of these structural units it is possible to explain all the gold structures in the coverage range 0.8-1.5 monolayers as pseudo-glasses with strong short-range order but varying degrees of long-range order.

Original language	English (US)
Pages (from-to)	32-45
Number of pages	14
Journal	Surface Science
Volume	418
Issue number	1
DOIs	https://doi.org/10.1016/S0039-6028(98)00660-8
State	Published - Nov 27 1998

Funding

This work was supported by the National Science Foundation (LDM and DG) under Grant Number #DMR-9214505.

Keywords

Computer simulations
Direct methods
Gold
Low index single crystal surfaces
Si(111)-(6 × 6)Au
Silicon
Surface relaxation and reconstruction; X-ray diffraction

ASJC Scopus subject areas

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

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10.1016/S0039-6028(98)00660-8

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title = "Direct methods determination of the Si(111)-(6 × 6)Au surface structure",

abstract = "The atomic structure of the Au 6 × 6 on Si(111) phase has been determined using direct methods and surface X-ray diffraction data. This surface structure is very complicated, with 14 independent gold atoms, relaxations in 24 independent silicon sites and three partially occupied gold sites. In one sense the structure can be described as microdomains of the parent √3 × √3 Au on Si(111) structure. A better description is in terms of a tiling of incomplete pentagonal and trimer units, essentially a pseudopentagonal glass. In terms of these structural units it is possible to explain all the gold structures in the coverage range 0.8-1.5 monolayers as pseudo-glasses with strong short-range order but varying degrees of long-range order.",

keywords = "Computer simulations, Direct methods, Gold, Low index single crystal surfaces, Si(111)-(6 × 6)Au, Silicon, Surface relaxation and reconstruction; X-ray diffraction",

author = "D. Grozea and E. Landree and Marks, {L. D.} and R. Feidenhans'l and M. Nielsen and Johnson, {R. L.}",

note = "Funding Information: This work was supported by the National Science Foundation (LDM and DG) under Grant Number #DMR-9214505.",

year = "1998",

month = nov,

day = "27",

doi = "10.1016/S0039-6028(98)00660-8",

language = "English (US)",

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T1 - Direct methods determination of the Si(111)-(6 × 6)Au surface structure

AU - Grozea, D.

AU - Landree, E.

AU - Marks, L. D.

AU - Feidenhans'l, R.

AU - Nielsen, M.

AU - Johnson, R. L.

N1 - Funding Information: This work was supported by the National Science Foundation (LDM and DG) under Grant Number #DMR-9214505.

PY - 1998/11/27

Y1 - 1998/11/27

N2 - The atomic structure of the Au 6 × 6 on Si(111) phase has been determined using direct methods and surface X-ray diffraction data. This surface structure is very complicated, with 14 independent gold atoms, relaxations in 24 independent silicon sites and three partially occupied gold sites. In one sense the structure can be described as microdomains of the parent √3 × √3 Au on Si(111) structure. A better description is in terms of a tiling of incomplete pentagonal and trimer units, essentially a pseudopentagonal glass. In terms of these structural units it is possible to explain all the gold structures in the coverage range 0.8-1.5 monolayers as pseudo-glasses with strong short-range order but varying degrees of long-range order.

AB - The atomic structure of the Au 6 × 6 on Si(111) phase has been determined using direct methods and surface X-ray diffraction data. This surface structure is very complicated, with 14 independent gold atoms, relaxations in 24 independent silicon sites and three partially occupied gold sites. In one sense the structure can be described as microdomains of the parent √3 × √3 Au on Si(111) structure. A better description is in terms of a tiling of incomplete pentagonal and trimer units, essentially a pseudopentagonal glass. In terms of these structural units it is possible to explain all the gold structures in the coverage range 0.8-1.5 monolayers as pseudo-glasses with strong short-range order but varying degrees of long-range order.

KW - Computer simulations

KW - Direct methods

KW - Gold

KW - Low index single crystal surfaces

KW - Si(111)-(6 × 6)Au

KW - Silicon

KW - Surface relaxation and reconstruction; X-ray diffraction

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U2 - 10.1016/S0039-6028(98)00660-8

DO - 10.1016/S0039-6028(98)00660-8

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SN - 0039-6028

VL - 418

SP - 32

EP - 45

JO - Surface Science

JF - Surface Science

IS - 1

ER -

Direct methods determination of the Si(111)-(6 × 6)Au surface structure

Abstract

Funding

Keywords

ASJC Scopus subject areas

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