Self-consistent studies of magnetic thin film Ni (001)

C. S. Wang*, Arthur J Freeman

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

12 Scopus citations

Abstract

Advances in experimental methods for studying surface phenomena have provided the stimulus to develop theoretical methods capable of interpreting this wealth of new information. Of particular interest have been the relative roles of bulk and surface contributions since in several important cases agreement between experiment and bulk self-consistent (SC) calculations within the local spin density functional formalism (LSDF) is lacking. We discuss our recent extension of the (LSDF) approach to the study of thin films (slabs) and the role of surface effects on magnetic properties. Results are described for Ni (001) films using our new SC numerical basis set LCAO method. Self-consistency within the superposition of overlapping spherical atomic charge density model is obtained iteratively with the atomic configuration as the adjustable parameter. Results are presented for the electronic charge densities and local density of states. The origin and role of (magnetic) surface states is discussed by comparison with results of earlier bulk calculations.

Original languageEnglish (US)
Pages (from-to)1940-1943
Number of pages4
JournalJournal of Applied Physics
Volume50
Issue numberB3
DOIs
StatePublished - Dec 1 1979

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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