Physics – Condensed Matter – Materials Science
Scientific paper
1995-12-12
Physics
Condensed Matter
Materials Science
Twocolumn revtex, 4 pages, no figures
Scientific paper
Ab initio local-density-functional-theory calculations of formation energies, surface stress, and multilayer relaxations are reported for the (111), (100), and (110) surfaces of Rh. The study is performed using ultrasoft pseudopotentials and plane waves in a parallel implementation. Calculated values are in good agreement with previous studies where they exist. In particular, we confirm recent results on surface stress anisotropy of transition metals.
Baroni Stefano
Filippetti Alessio
Fiorentini Vincenzo
Stokbro Kurt
Valente Riccardo
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