van de Walle, A. and Asta, M. and Voorhees, P. W. (2003) First-principles calculation of the effect of strain on the diffusion of Ge adatoms on Si and Ge(001) surfaces. Physical Review B, 67 (4). Art. No. 041308(R). ISSN 0163-1829 http://resolver.caltech.edu/CaltechAUTHORS:WALprb03
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First-principles calculations are used to calculate the strain dependencies of the binding and diffusion-activation energies for Ge adatoms on both Si(001) and Ge(001) surfaces. Our calculations reveal that the binding and activation energies on a strained Ge(001) surface increase and decrease, respectively, by 0.21 and 0.12 eV per percent compressive strain. For a growth temperature of 600°C, these strain-dependencies give rise to a 16-fold increase in adatom density and a fivefold decrease in adatom diffusivity in the region of compressive strain surrounding a Ge island with a characteristic size of 10 nm.
|Additional Information:||©2003 The American Physical Society (Received 31 October 2002; published 31 January 2003) This work was supported by the NSF under programs DMR-0102794 and NSF-MRSEC DMR-00706097, using computer resources provided by the National Partnership for Advanced Computational Infrastructure at the University of Michigan.|
|Subject Keywords:||germanium; adsorbed layers; surface diffusion; binding energy; ab initio calculations; molecular dynamics method; island structure; elemental semiconductors|
|Usage Policy:||No commercial reproduction, distribution, display or performance rights in this work are provided.|
|Deposited By:||Archive Administrator|
|Deposited On:||18 Dec 2006|
|Last Modified:||26 Dec 2012 09:24|
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