ISSN:
1013-9826
Source:
Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
Topics:
Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
Notes:
The adsorption of Au on clean Si(001) surface is investigated by the local densityapproximation using first-principles pseudopotentials. We found that the adsorption energy of Au on idealSi(001)-(1×1) surface is lower than that on reconstructed Si(001)-(2×1) surface, suggesting that adsorbedAu atoms chemically react with the surface Si atoms and break Si-Si dimer bonds of the substrate.Furthermore, the intermixing of Au and Si is also considered and the calculation suggests that intermixingwill not take place at low temperature. But due to the small energy barrier for Au atoms to diffuse into Sisubstrate, we can conclude that the Au-Si alloy is easily formed at relatively high temperature. This resultshould be one of the reasons of the lack of consensus on the issue of intermixing of Au and Si
Type of Medium:
Electronic Resource
URL:
http://www.tib-hannover.de/fulltexts/2011/0528/01/54/transtech_doi~10.4028%252Fwww.scientific.net%252FKEM.336-338.2521.pdf
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