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Spatial structure determination of {bold (}{radical}3{times}{radical}3){ital R}30{degree} and (1.5{times}1.5){ital R}18{degree} CO or Cu(111) using angle-resolved photoemission extended fine structure

Journal Article · · Physical Review, B: Condensed Matter
; ; ;  [1]; ;  [2]
  1. Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)
  2. Departments of Chemistry and Physics, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States)
We report a study of the spatial structure of ({radical}(3){times}{radical}(3)){ital R}30{degree} and (1.5{times}1.5){ital R}18{degree} CO adsorbed on Cu (111), using the angle-resolved photoemission extended fine structure (ARPEFS) technique. The ARPEFS data were taken along the surface normal-emission direction with a sample temperature of 80 K. The CO molecule adsorbs on an atop site for both adsorption phases. Full multiple-scattering spherical-wave (MSSW) calculations were used to extract the C-Cu bond length and the first Cu-Cu layer spacing for each adsorption phase. The C-Cu bond length is 1.91(1) A in the ({radical}(3){times}{radical}(3)){ital R}30{degree} phase and 1.91(2) A in the (1.5{times}1.5){ital R}18{degree} phase. The first layer Cu-Cu spacing is 2.07(3) A in the ({radical}(3){times}{radical}(3)){ital R}30{degree} phase. The first layer Cu-Cu spacing in the (1.5{times}1.5){ital R}18{degree} phase is 2.01(4) A, a contraction of 3{percent} from the clean metal value of 2.07 A. We calculate the bending mode force constant (1.5{times}1.5){ital R}18{degree} phase to be {ital k}{sub {delta}}=2.2(1){times}10{sup {minus}12} dyn/cm rad from the above bond lengths combined with previously published infrared absorption frequencies. {copyright} {ital 1996 The American Physical Society.}
Research Organization:
Lawrence Berkeley National Laboratory
DOE Contract Number:
AC03-76SF00098
OSTI ID:
389308
Journal Information:
Physical Review, B: Condensed Matter, Journal Name: Physical Review, B: Condensed Matter Journal Issue: 15 Vol. 54; ISSN 0163-1829; ISSN PRBMDO
Country of Publication:
United States
Language:
English