Physical Review Letters · 1996 · 141 citations · 21 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMetallic MaterialsSurface ScienceCrystal GrowthDiffusion In SolidsMetalsSurface DiffusionSurface MorphologySurface PhysicsAnisotropyClose-packed MetalsCrystallographic AnisotropyGrowth MorphologyMorphological AnisotropySelf-diffusion In SolidsStep EdgesSurface Diffusion Mechanisms
The growth morphology of clean silver exhibits a profound anisotropy: The growing surface of Ag(111) is typically very rough while that of Ag(100) is smooth and flat. This serious and important difference is unexpected, not understood, and hitherto not observed for any other metal. Using density functional theory calculations of self-diffusion on flat and stepped Ag(100) we find, for example, that at flat regions a hopping mechanism is favored, while across step edges diffusion proceeds by an exchange process. The calculated microscopic parameters explain the experimentally reported growth properties.
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Efficient pseudopotentials for plane-wave calculations
N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 16.1K citations
Natural Sciences, Chemistry, Physics +14
Step Motion on Crystal Surfaces
Richard L. Schwoebel, Edward J. Shipsey · Journal of Applied Physics · 1966 · 1.6K citations