The structure of the CoS2 (100)-(1x1) surface

Z. X. Yu; M. A. Van Hove; S. Y. Tong; David Wisbey; Ya B. Losovyj; Ning Wu; M. Manno; L WANG; C. Leighton; W. N. Mei; P. A. Dowben

doi:10.1088/0953-8984/19/15/156223

The structure of the CoS2 (100)-(1x1) surface

Z. X. Yu, M. A. Van Hove, S. Y. Tong, David Wisbey, Ya B. Losovyj, Ning Wu, M. Manno, L WANG, C. Leighton, W. N. Mei, P. A. Dowben^*

^*Corresponding author for this work

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

Abstract

Quantitative low-energy electron diffraction (LEED) has been used to determine the structure of the cubic CoS2 (100)-(1x1) surface. The clearly favoured structural model from the LEED analysis is the 1S-terminated ( 1 x 1) surface, in which the S-S dimer is intact and the terminal surface layer retains a complete S-Co-S sandwich structure. The surface S atoms move outwards towards the vacuum while the subsurface Co atoms move towards the bulk, by approximately 0.03 and 0.11 angstrom, respectively. In addition, the S atoms in the third sublayer relax outwards by about 0.12 angstrom, thus providing an indication of a stronger S-S dimer bond and a denser surface region. The complete atomic coordinates of the S-Co-S surface layers are determined in this analysis.

Original language	English
Article number	156223
Journal	Journal of Physics Condensed Matter
Volume	19
Issue number	15
DOIs	https://doi.org/10.1088/0953-8984/19/15/156223
Publication status	Published - 18 Apr 2007

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@article{8ff1387d127d495b9460f24c573376e9,

title = "The structure of the CoS2 (100)-(1x1) surface",

abstract = "Quantitative low-energy electron diffraction (LEED) has been used to determine the structure of the cubic CoS2 (100)-(1x1) surface. The clearly favoured structural model from the LEED analysis is the 1S-terminated ( 1 x 1) surface, in which the S-S dimer is intact and the terminal surface layer retains a complete S-Co-S sandwich structure. The surface S atoms move outwards towards the vacuum while the subsurface Co atoms move towards the bulk, by approximately 0.03 and 0.11 angstrom, respectively. In addition, the S atoms in the third sublayer relax outwards by about 0.12 angstrom, thus providing an indication of a stronger S-S dimer bond and a denser surface region. The complete atomic coordinates of the S-Co-S surface layers are determined in this analysis.",

author = "Yu, {Z. X.} and {Van Hove}, {M. A.} and Tong, {S. Y.} and David Wisbey and Losovyj, {Ya B.} and Ning Wu and M. Manno and L WANG and C. Leighton and Mei, {W. N.} and Dowben, {P. A.}",

year = "2007",

month = apr,

day = "18",

doi = "10.1088/0953-8984/19/15/156223",

language = "English",

volume = "19",

journal = "Journal of Physics Condensed Matter",

issn = "0953-8984",

publisher = "IOP Publishing",

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TY - JOUR

T1 - The structure of the CoS2 (100)-(1x1) surface

AU - Yu, Z. X.

AU - Van Hove, M. A.

AU - Tong, S. Y.

AU - Wisbey, David

AU - Losovyj, Ya B.

AU - Wu, Ning

AU - Manno, M.

AU - WANG, L

AU - Leighton, C.

AU - Mei, W. N.

AU - Dowben, P. A.

PY - 2007/4/18

Y1 - 2007/4/18

N2 - Quantitative low-energy electron diffraction (LEED) has been used to determine the structure of the cubic CoS2 (100)-(1x1) surface. The clearly favoured structural model from the LEED analysis is the 1S-terminated ( 1 x 1) surface, in which the S-S dimer is intact and the terminal surface layer retains a complete S-Co-S sandwich structure. The surface S atoms move outwards towards the vacuum while the subsurface Co atoms move towards the bulk, by approximately 0.03 and 0.11 angstrom, respectively. In addition, the S atoms in the third sublayer relax outwards by about 0.12 angstrom, thus providing an indication of a stronger S-S dimer bond and a denser surface region. The complete atomic coordinates of the S-Co-S surface layers are determined in this analysis.

AB - Quantitative low-energy electron diffraction (LEED) has been used to determine the structure of the cubic CoS2 (100)-(1x1) surface. The clearly favoured structural model from the LEED analysis is the 1S-terminated ( 1 x 1) surface, in which the S-S dimer is intact and the terminal surface layer retains a complete S-Co-S sandwich structure. The surface S atoms move outwards towards the vacuum while the subsurface Co atoms move towards the bulk, by approximately 0.03 and 0.11 angstrom, respectively. In addition, the S atoms in the third sublayer relax outwards by about 0.12 angstrom, thus providing an indication of a stronger S-S dimer bond and a denser surface region. The complete atomic coordinates of the S-Co-S surface layers are determined in this analysis.

U2 - 10.1088/0953-8984/19/15/156223

DO - 10.1088/0953-8984/19/15/156223

M3 - RGC 21 - Publication in refereed journal

SN - 0953-8984

VL - 19

JO - Journal of Physics Condensed Matter

JF - Journal of Physics Condensed Matter

IS - 15

M1 - 156223

ER -

The structure of the CoS2 (100)-(1x1) surface

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