X-Ray Diffraction and Dft Studies of the Uniaxial Structure of the Pb Adlayers on Cu(110) Surfaces
Hsin-Yi Tiffany Chen1, Wei-Che Hsieh1, Jyh-Pin Chou3, Sih-Hao Chen1, Keng-San Liang2, Chih-Hao Lee1,2*
1Department of Engineering and System Science, National Tsing Hua University, Hsinchu, Taiwan
2National Synchrotron Radiation Research Center, NSRRC, Hsinchu, Taiwan
3Department of Mechanical and biomedical engineering, City University of Hong Kong, Hong Kong, Hong Kong
* Presenter:Chih-Hao Lee, email:chlee@mx.nthu.edu.tw
Using the X-ray surface diffraction techniques, the submonolayer (coverage > 0.7) Pb on Cu(110) surface, which include uniaxial (5x1), (9×1) and (12×1) structures, were determined. The bond distances between the overlayer Pb atoms and Cu(110) surface was determined by X-ray Bragg rod scan and crystal truncation rod scans. Density functional theory (DFT) calculations were performed to support the experimental model and confirm that Pb atoms substitution for Cu atoms is more stable than all Pb atoms adsorption on Cu(110) surface, which is consistent with the STM measurement.

Keywords: X-ray surface scattering, DFT calculation, Pb/Cu(110)