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.
Recommended Citation
A. V. Chernatynskiy and J. W. Halley, "Relativistic Tight-Binding Model: Application to Pt Surfaces," Physical review B: Condensed matter and materials physics, vol. 83, no. 20, American Physical Society (APS), May 2011.
The definitive version is available at https://doi.org/10.1103/PhysRevB.83.205431
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.
Publication Date
01 May 2011
