Yi H., Kratzer P., Hilner E., Mikkelsen A.
KISTI, KR
Keywords: adsorption, DFT, simulation, STM
We have studied the GaAs(111)B surface with Au deposited either homogeneously or as nanoparticles, and found the presence of Au in either form to give rise to a $(sqrt{3} !times! sqrt{3} )$ Au-induced surface reconstruction. In the structural model supported by our DFT calculations for an Au coverage of 1/3 ML, Au atoms are adsorbed at every third threefold hollow hcp site of the Ga lattice. The proposed structural model is in agreement with experimental data from low-energy electron diffraction and STM.
Journal: TechConnect Briefs
Volume: 1, Technical Proceedings of the 2007 NSTI Nanotechnology Conference and Trade Show, Volume 1
Published: May 20, 2007
Pages: 458 - 461
Industry sector: Advanced Materials & Manufacturing
Topic: Informatics, Modeling & Simulation
ISBN: 1-4200-6182-8