Surface magnetism of Ni(001), Co(001), and Fe(001): an embedding Green function approach.

Date

2007

Authors

Dooley, Roger.

Access rights

Worldwide access

Journal Title

Journal ISSN

Volume Title

Publisher

Abstract

Self-consistent spin-polarized surface embedded Green function (SEGF) calculations have been performed for the Ni(001), Co(001), and Fe(001) surfaces. Results are reported for three-layer slabs embedded onto the bulk crystals. The work functions, surface magnetic moments, and other electronic properties are compared with experiment and other theoretical work. The calculated Fe(001) work function is in good agreement with experiment and slab calculations, while the Ni(001) and Co(001) work functions are in fair agreement. Enhanced magnetic moments are obtained for the top layer of atoms, in agreement with experiment. Calculated surface states and surface resonance bands for each surface have been analyzed and compared with theoretical and experimental results.

Description

Includes bibliographical references (p. 107-109).

Keywords

Surfaces (Physics)., Green's functions., Layer structure (Solids).

Citation