Solution of Ge(111)-(4 × 4)-Ag structure using direct methods applied to X-ray diffraction data

C. Collazo-Davila; D. Grozea; L. D. Marks; R. Feidenhans'l; M. Nielsen; L. Seehofer; L. Lottermoser; G. Falkenberg; R. L. Johnson; M. Göthelid; U. Karlsson

doi:10.1016/S0039-6028(98)00664-5

Solution of Ge(111)-(4 × 4)-Ag structure using direct methods applied to X-ray diffraction data

C. Collazo-Davila^*, D. Grozea, L. D. Marks, R. Feidenhans'l, M. Nielsen, L. Seehofer, L. Lottermoser, G. Falkenberg, R. L. Johnson, M. Göthelid, U. Karlsson

^*Corresponding author for this work

Materials Science and Engineering

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

22 Scopus citations

Abstract

A structure model for the Ge(111l)-(4 × 4)-Ag surface is proposed. The model was derived by applying direct methods to surface X-ray diffraction data. It is a missing top layer reconstruction with six Ag atoms placed on Ge substitutional sites in one triangular subunit of the surface unit cell. A ring-like assembly containing nine Ge atoms is found in the other triangular subunit. The stability of the ring assembly may be due to Ge-Ge double bond formation. Trimers of Ge atoms, similar to the trimers found on the Ge(111)-(√3 × √3)R30°-Ag surface, are placed in the corners of the unit cell.

Original language	English (US)
Pages (from-to)	395-406
Number of pages	12
Journal	Surface Science
Volume	418
Issue number	2
DOIs	https://doi.org/10.1016/S0039-6028(98)00664-5
State	Published - Dec 5 1998

Keywords

Computer simulations
Direct methods
Ge(111)-(4 × 4)-Ag
Germanium
Silver
Surface relaxation and reconstruction
Transmission high-energy electron diffraction
X-ray scattering, diffraction and reflection

ASJC Scopus subject areas

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

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@article{fbda9063c3fc4236a120133ec5bb4c5c,

title = "Solution of Ge(111)-(4 × 4)-Ag structure using direct methods applied to X-ray diffraction data",

abstract = "A structure model for the Ge(111l)-(4 × 4)-Ag surface is proposed. The model was derived by applying direct methods to surface X-ray diffraction data. It is a missing top layer reconstruction with six Ag atoms placed on Ge substitutional sites in one triangular subunit of the surface unit cell. A ring-like assembly containing nine Ge atoms is found in the other triangular subunit. The stability of the ring assembly may be due to Ge-Ge double bond formation. Trimers of Ge atoms, similar to the trimers found on the Ge(111)-(√3 × √3)R30°-Ag surface, are placed in the corners of the unit cell.",

keywords = "Computer simulations, Direct methods, Ge(111)-(4 × 4)-Ag, Germanium, Silver, Surface relaxation and reconstruction, Transmission high-energy electron diffraction, X-ray scattering, diffraction and reflection",

author = "C. Collazo-Davila and D. Grozea and Marks, {L. D.} and R. Feidenhans'l and M. Nielsen and L. Seehofer and L. Lottermoser and G. Falkenberg and Johnson, {R. L.} and M. G{\"o}thelid and U. Karlsson",

note = "Funding Information: The authors thank the staff of HASYLAB for their help and assistance throughout the measurements. They also thank E. Landemark, D.-M. Smilgies, M. Foss and C. Klink for participating in X-ray scattering measurements. The work was supported by the Danish National Research Council through Dansync. CC, DG and LDM acknowledge the support of the National Science Foundation through Grant No. DMR-9214505. ",

year = "1998",

month = dec,

day = "5",

doi = "10.1016/S0039-6028(98)00664-5",

language = "English (US)",

volume = "418",

pages = "395--406",

journal = "Surface Science",

issn = "0039-6028",

publisher = "Elsevier",

number = "2",

}

Solution of Ge(111)-(4 × 4)-Ag structure using direct methods applied to X-ray diffraction data. / Collazo-Davila, C.; Grozea, D.; Marks, L. D.; Feidenhans'l, R.; Nielsen, M.; Seehofer, L.; Lottermoser, L.; Falkenberg, G.; Johnson, R. L.; Göthelid, M.; Karlsson, U.

In: Surface Science, Vol. 418, No. 2, 05.12.1998, p. 395-406.

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

TY - JOUR

T1 - Solution of Ge(111)-(4 × 4)-Ag structure using direct methods applied to X-ray diffraction data

AU - Collazo-Davila, C.

AU - Grozea, D.

AU - Marks, L. D.

AU - Feidenhans'l, R.

AU - Nielsen, M.

AU - Seehofer, L.

AU - Lottermoser, L.

AU - Falkenberg, G.

AU - Johnson, R. L.

AU - Göthelid, M.

AU - Karlsson, U.

N1 - Funding Information: The authors thank the staff of HASYLAB for their help and assistance throughout the measurements. They also thank E. Landemark, D.-M. Smilgies, M. Foss and C. Klink for participating in X-ray scattering measurements. The work was supported by the Danish National Research Council through Dansync. CC, DG and LDM acknowledge the support of the National Science Foundation through Grant No. DMR-9214505.

PY - 1998/12/5

Y1 - 1998/12/5

N2 - A structure model for the Ge(111l)-(4 × 4)-Ag surface is proposed. The model was derived by applying direct methods to surface X-ray diffraction data. It is a missing top layer reconstruction with six Ag atoms placed on Ge substitutional sites in one triangular subunit of the surface unit cell. A ring-like assembly containing nine Ge atoms is found in the other triangular subunit. The stability of the ring assembly may be due to Ge-Ge double bond formation. Trimers of Ge atoms, similar to the trimers found on the Ge(111)-(√3 × √3)R30°-Ag surface, are placed in the corners of the unit cell.

AB - A structure model for the Ge(111l)-(4 × 4)-Ag surface is proposed. The model was derived by applying direct methods to surface X-ray diffraction data. It is a missing top layer reconstruction with six Ag atoms placed on Ge substitutional sites in one triangular subunit of the surface unit cell. A ring-like assembly containing nine Ge atoms is found in the other triangular subunit. The stability of the ring assembly may be due to Ge-Ge double bond formation. Trimers of Ge atoms, similar to the trimers found on the Ge(111)-(√3 × √3)R30°-Ag surface, are placed in the corners of the unit cell.

KW - Computer simulations

KW - Direct methods

KW - Ge(111)-(4 × 4)-Ag

KW - Germanium

KW - Silver

KW - Surface relaxation and reconstruction

KW - Transmission high-energy electron diffraction

KW - X-ray scattering, diffraction and reflection

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DO - 10.1016/S0039-6028(98)00664-5

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VL - 418

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EP - 406

JO - Surface Science

JF - Surface Science

SN - 0039-6028

IS - 2

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