Physical review. B, Condensed matter · 1985 · 143 citations · 14 references
Materials EngineeringMaterials ScienceSurface CharacterizationEngineeringPhysicsSurface EnergySurface ScienceApplied PhysicsCondensed Matter PhysicsSurface InstabilitiesMetallurgical InteractionSurface MeltingMetallurgical ProcessSolid MechanicsSurface ContractionsCopper MetalMicrostructureSurface Reconstruction
The surface instabilities of copper metal are studied by computing the quasiharmonic free energy of (100), (110), and (111) surfaces within the slab model. We find that a loose-packed surface would melt prior to a close-packed one if contractive surface relaxations are neglected. The inclusion of surface contractions can reverse the order of these instabilities in agreement with recent experiments.
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