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Τρίτη 31 Οκτωβρίου 2017

Properties of real metallic surfaces: Effects of density functional semilocality and van der Waals nonlocality [Applied Physical Sciences]

We have computed the surface energies, work functions, and interlayer surface relaxations of clean (111), (100), and (110) surfaces of Al, Cu, Ru, Rh, Pd, Ag, Pt, and Au. We interpret the surface energy from liquid metal measurements as the mean of the solid-state surface energies over these three lowest-index...

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