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• W2023763207 abstract "We show, by first-principles calculations, that the effect of external strain on surface diffusion is inherently correlated with the intrinsic surface stress induced by the adatom along its diffusion pathways. We demonstrate a simple generic method for a priori predicting quantitatively how an external strain will change surface diffusion on any given surface, based on calculations of surface-stress tensors of the unstrained surface. diffusion. Our understanding of the fundamental physical mechanisms underlying the relationship between strain and diffusion is still very limited. In this paper, we present a comprehensive first-principles investigation of the effect of strain on diffusion on a semiconductor surface. We show that the effect of strain on surface diffusion is inherently corre- lated with the intrinsic surface stress induced by an adatom along its diffusion pathways. We demonstrate a simple ge- neric theoretical method to a priori predict quantitatively how an external strain changes surface diffusion on any given surface. The effect of strain on surface diffusion is not only of general scientific interest but also of technological impor- tance. For example, the strain-affected surface diffusion can alter the transition of growth mode 2,5 from two-dimensional ~2D! to 3D growth. Surface diffusion directed by a nonuni- form surface strain field is a key ingredient in driving self- organized growth of nanostructures, such as formation of 2D island arrays, 7 coarsening of 2D islands, 8 and growth of 3D island superlattices in multilayer films. 9 Recently, both experiment 5 and theory 6 show that on a metal surface @such as Ag~111!#, a biaxial compressive strain increases surface diffusion, while a biaxial tensile strain decreases it. The first- principles calculations 6 further show that the diffusion bar- rier scales linearly with the external strain. A natural question is whether these observations are also true on a semiconduc- tor surface where more complex diffusion processes are gen- erally involved with multiple diffusion pathways and with diffusion anisotropy. And a more fundamental question is what are the underlying physical mechanisms that define the dependence of surface diffusion on strain and whether it is possible to a priori predict the change of surface diffusion under an external strain from the intrinsic surface properties of the unstrained surface." @default.
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• W2023763207 date "2001-11-29" @default.
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• W2023763207 title "Simple generic method for predicting the effect of strain on surface diffusion" @default.
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• W2023763207 doi "https://doi.org/10.1103/physrevb.64.245410" @default.
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