@article {1455,
	title = {Diffusion of Si and C atoms on and between graphene layers},
	journal = {Journal of Physics D-Applied Physics},
	volume = {45},
	number = {45},
	year = {2012},
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},
	month = {Nov},
	pages = {6},
	type = {Article},
	abstract = {<p>The growth of epitaxial graphene on SiC surfaces is accompanied by the evaporation of Si atoms during the growth process. The continuous loss of Si atoms takes place even after the surface graphene layers are formed. Understanding the atomic transport process involved is critical in establishing a growth mechanism to model and control the process. Using density functional theory, we have calculated the potential energy variation and studied the diffusion of Si and C atoms on a single layer of graphene and between graphene sheets. Our results show that Si atoms can move almost freely on graphene and between graphene layers, while C atoms have much larger diffusion barriers. This work provides a detailed description of the energetics of relevant processes in the growth of epitaxial graphene on SiC surfaces.</p>
},
	keywords = {AUGMENTED-WAVE METHOD, CONFINEMENT, EPITAXIAL-GRAPHENE, GRAPHITE, PHYSICS, PSEUDOPOTENTIALS, silicon-carbide},
	isbn = {0022-3727},
	url = {<Go to ISI>://WOS:000310453400017},
	author = {Xian, L. D. and Chou, M. Y.}
}
