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Formation Energy, Stress, and Relaxations of Low-Index Rhodium Surfaces

1995/12/12 by Alessio Filippetti, Vincenzo Fiorentini, Filippetti, Alessio +7
Earth and Planetary Sciences · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical and Physical Properties of Materials #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci #mtrl-th #nanoparticles nucleation surface interactions

paper · pdf · doi:10.48550/arxiv.mtrl-th/9512001

Twocolumn revtex, 4 pages, no figures

arxiv created 1995/12/12 · openalex publication_date 1995/12/12 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

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.

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