Angle-resolved photoemission extended fine structure study of chemisorbed c(2{times}2)P/Fe(100): Comparison with self-consistent- field X{alpha} scattered wave calculations
- Lawrence Berkeley National Lab., CA (United States)
- Pennsylvania State Univ., University Park, PA (United States). Dept. of Chemistry and Physics
- Lawrence Berkeley National Lab., CA (United States); and others
Angle-resolved photoemission extended fine structure (ARPEFS) was used to determine the structure of c(2x2)P/Fe(100). P 1s core-level photoemission data were collected normal to the (100) surface and 45{degree} off-normal along the [011] direction at room temperature. Close analysis of the auto-regressive linear prediction based Fourier transform and multiple-scattering spherical-wave calculations indicate that the P atoms adsorb in the high-coordination fourfold hollow sites. The P atoms bond 1.02 {angstrom} above the first layer of Fe atoms and the Fe-P-Fe bond angle is 140.6{degree}. It was also determined that there is no expansion of the Fe surface. Self-consistent-field X{alpha} scattered wave calculations were performed for the c(2x2)P/Fe(100) and the c(2x2)S/Fe(100) systems. These independent results are in excellent agreement with this P/Fe structure and the S/Fe structure previously published, confirming the ARPEFS determination that the Fe{sub 1}-Fe{sub 2} interlayer spacing is contracted from the bulk value for S/Fe but not for P/Fe.
- Research Organization:
- Lawrence Berkeley National Lab., CA (United States)
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 213878
- Report Number(s):
- LBL--38422; LSBL--314; CONF-960401--5; ON: DE96008562
- Country of Publication:
- United States
- Language:
- English
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