Physical Review Letters · 1998 · 119 citations · 19 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMaterials PhysicsSurface ScienceAb Initio MethodsDiffusion In SolidsSurface DiffusionSurface PhysicsDiffusion PathwaysSelf-diffusionSelf-diffusion In SolidsStep-edge Surface DiffusionSurface Diffusion BarriersSurface Diffusion MechanismsSurface Diffusion Near Steps
Challenging our understanding of epitaxy on clean and O-precovered Pt(111), the ab initio Schwoebel barrier calculated for downward self-diffusion across $A$-type steps on Pt(111) is only ${E}^{S}(A)\ensuremath{\approx}0.02\mathrm{eV}$. Geometric arguments explain why ${E}^{S}(B)$, the Schwoebel barrier at $B$-type steps, is more than an order of magnitude larger than ${E}^{S}(A)$.
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<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
Natural Sciences, Chemistry, Physics +17