The influence of calculated phase shifts on the precision and accuracy of ARPEFS-derived structural parameters

✍ Scribed by Y. Zheng; Z. Hussain; D.A. Shirley

• Publisher: Elsevier Science
• Year: 1993
• Tongue: English
• Weight: 461 KB
• Volume: 206
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(93)85534-u

✦ Synopsis

The influence of theoretical atomic scattering phase shifts calculated by different methods in the analysis of angle-resolved photoemission extended tine structure (ARPEFS) data for structural determination of the c(2 X 2)S/Ni(COl) surface was examined, with the goal of assessing both the precision and accuracy of derived structural parameters. It was found that the values of the S-Ni bond length obtained from the ARPEFS data analysis with different calculated atomic scattering phase shifts all fall within a total range of 0.02 A ( f 0.01 A). This result is also in excellent agreement with the currently accepted values obtained from low-energy electron diffraction (LEED) and surface extended X-ray absorption tine structure (SEXAFS), i.e. 2.19-2.20 A.

We conclude that this ARPEFSderived structural parameter is relatively insensitive to the choice of theoretical atomic scattering phase G&s, and is both precise and accurate.