The structure of the CoS2 (100)-(1 × 1) surfacePeter Dowben Publications
Date of this Version3-26-2007
AbstractQuantitative 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" (2007)
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