ISSN:
1662-9779
Source:
Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
Topics:
Physics
Notes:
We performed first-principles calculations using the projector augmented-wave (PAW)method for Au/Pd slab interface models. The calculations of relaxed configurations and energies forthe thin Pd layers (3 layers) stacking on Au (111) and Au (100) slabs with an epitaxial relationshiprepresent that Pd overlayers have a lateral expansion in both cases. This trend is in good agreementwith experimental results for Pd/Au slabs and Au-Pd core-shell nanoparticles, obtained by electronmicroscopy, X-ray diffraction, and positron annihilation. In addition, an intermixing configurationnear the Au-Pd interface was shown to be more stable than the binary separated one
Type of Medium:
Electronic Resource
URL:
http://www.tib-hannover.de/fulltexts/2011/0528/02/24/transtech_doi~10.4028%252Fwww.scientific.net%252FSSP.139.29.pdf
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