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

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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 ... continued below

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6 p.

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Huff, W.R.A.; Chen, Y. & Zhang, X.S. February 1, 1996.

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  • Huff, W.R.A. California Univ., Berkeley, CA (United States). Dept. of Chemistry
  • Chen, Y. Pennsylvania State Univ., University Park, PA (United States). Dept. of Chemistry and Physics
  • Zhang, X.S. Lawrence Berkeley National Lab., CA (United States)

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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.

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6 p.

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OSTI as DE96008562

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  • Spring meeting of the Materials Research Society (MRS), San Francisco, CA (United States), 8-12 Apr 1996

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  • Other: DE96008562
  • Report No.: LBL--38422
  • Report No.: LSBL--314;CONF-960401--5
  • Grant Number: AC03-76SF00098
  • Office of Scientific & Technical Information Report Number: 213878
  • Archival Resource Key: ark:/67531/metadc665899

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  • February 1, 1996

Added to The UNT Digital Library

  • June 29, 2015, 9:42 p.m.

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  • April 5, 2016, 1:10 p.m.

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Huff, W.R.A.; Chen, Y. & Zhang, X.S. 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, article, February 1, 1996; California. (digital.library.unt.edu/ark:/67531/metadc665899/: accessed October 18, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.