Chemisorption structure of c(2 x 2)S/Fe(001) determined by angle-resolved photoemission extended fine structure
An accurate chemisorption geometry was determined for the c(2x2)S/Fe(001) system using the angle-resolved photoemission extended fine structure (ARPEFS) method, with S(1s) photoelectron peak intensities observed along (001) and (011). Multiple-scattering spherical-wave analysis confirmed the LEED-derived fourfold hollow site geometry, and yielded perpendicular distances for S of 1.09(2) A above the first layer and 2.50(2) A above the second layer atom directly below S. The S--Fe nearest-neighbor bond length is 2.30(1) A and the M--S--M bond angle is 123(1)/sup 0/. The Fe/sub 1/ --Fe/sub 2/ interlayer distance is contracted to 1.40(2) A and the Fe/sub 2/ --Fe/sub 3/ distance expanded to 1.46(3) A, relative to the bulk value of 1.43 A. The results are compared with similar systems and partially explained on chemical grounds. The derived structure agrees with the results of a self-consistent field (SCF) X..cap alpha.. spherical wave (SW) calculation.
- Research Organization:
- Department of Chemistry, University of California and Materials and Chemical Sciences Division, Lawrence Berkeley Laboratory, Berkeley, California 94720
- OSTI ID:
- 7044894
- Journal Information:
- J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 89:10; ISSN JCPSA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
400201* -- Chemical & Physicochemical Properties
BREMSSTRAHLUNG
CHEMICAL BONDS
CHEMICAL REACTIONS
CHEMISORPTION
ELECTROMAGNETIC RADIATION
ELECTRON SPECTROSCOPY
ELEMENTS
IRON
METALS
NONMETALS
PHOTOELECTRON SPECTROSCOPY
RADIATIONS
SEPARATION PROCESSES
SORPTION
SORPTIVE PROPERTIES
SPECTROSCOPY
SULFUR
SURFACE PROPERTIES
SYNCHROTRON RADIATION
TRANSITION ELEMENTS