The structure of the CoS2 (100)-(1×1) surfaceJournal of Physics Condensed Matter (2007)
Quantitative low-energy electron diffraction (LEED) has been used to determine the structure of the cubic CoS2 (100)-(1×1) surface. The clearly favored structural model from the LEED analysis is the 1S - terminated (1×1) 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 Å, respectively. In addition, the S atoms in the third sublayer relax outwards by about 0.12 Å, 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.
Citation InformationZ. X. Yu, M. A. Van Hove, S. Y. Tong, David Wisbey, et al.. "The structure of the CoS2 (100)-(1×1) surface" Journal of Physics Condensed Matter Vol. 19 Iss. 24 (2007) ISSN: 1361648X
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