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BIBTEX RIS

Self-consistent electronic structure of Mo(001) and W(001) surfaces

2000; American Physical Society; Volume: 61; Issue: 15 Linguagem: Inglês

10.1103/physrevb.61.10417

ISSN

1095-3795

Autores

Sérgio B. Legoas, Alexandre A. Araújo, B. Laks, A. B. Klautau, S. Frota-Pessôa,

Tópico(s)

Physics of Superconductivity and Magnetism

Resumo

We report results for the surface band structures of molybdenum and tungsten (001) surfaces by employing the surface version of the first-principles, self-consistent real-space linear muffin-tin orbital method in the atomic sphere approximation. The surface state dispersions as well as the spectral density of states were obtained employing the transfer matrix scheme. The resulting surface band structures are compared with recent experimental measurements at temperatures above the transition temperature, as well as theoretical self-consistent calculations.

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