This title appears in the Scientific Report : 2015 

Structure Determination of Au on Pt(111) Surface: LEED, STM and DFT Study
Krupski, Katarzyna
Moors, Marco (Corresponding author) / Jóźwik, Paweł / Kobiela, Tomasz / Krupski, Aleksander
Elektronische Materialien; PGI-7
Materials, 8 (2015) 6, S. 2935 - 2952
Basel MDPI 2015
10.3390/ma8062935
Journal Article
Controlling Electron Charge-Based Phenomena
OpenAccess
OpenAccess
Please use the identifier: http://dx.doi.org/10.3390/ma8062935 in citations.
Please use the identifier: http://hdl.handle.net/2128/9730 in citations.
Low-energy electron diffraction (LEED), scanning tunneling microscopy (STM) and density functional theory (DFT) calculations have been used to investigate the atomic and electronic structure of gold deposited (between 0.8 and 1.0 monolayer) on the Pt(111) face in ultrahigh vacuum at room temperature. The analysis of LEED and STM measurements indicates two-dimensional growth of the first Au monolayer. Change of the measured surface lattice constant equal to 2.80 Å after Au adsorption was not observed. Based on DFT, the distance between the nearest atoms in the case of bare Pt(111) and Au/Pt(111) surface is equal to 2.83 Å, which gives 1% difference in comparison with STM values. The first and second interlayer spacing of the clean Pt(111) surface are expanded by +0.87% and contracted by −0.43%, respectively. The adsorption energy of the Au atom on the Pt(111) surface is dependent on the adsorption position, and there is a preference for a hollow fcc site. For the Au/Pt(111) surface, the top interlayer spacing is expanded by +2.16% with respect to the ideal bulk value. Changes in the electronic properties of the Au/Pt(111) system below the Fermi level connected to the interaction of Au atoms with Pt(111) surface are observed.