Abstract

We report a parametrization of a previous self-consistent tight-binding model, suitable for metals with a high atomic number in which nonscalar-relativistic effects are significant in the electron physics of condensed phases. The method is applied to platinum. The model is fitted to density functional theory band structures and cohesive energies and spectroscopic data on platinum atoms in five oxidation states, and is then shown without further parametrization to correctly reproduce several low index surface structures. We also predict reconstructions of some vicinal surfaces.

Department(s)

Physics

International Standard Serial Number (ISSN)

1098-0121

Document Type

Article - Journal

Document Version

Final Version

File Type

text

Language(s)

English

Rights

© 2011 American Physical Society (APS), All rights reserved.

Included in

Physics Commons

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