Calculation of the magnetic states of cobalt overlayers on copper (111)

R. H. Victora, L. M. Falicov

Research output: Contribution to journalArticlepeer-review

45 Scopus citations


One- and two-atom layers of cobalt on a copper (111) surface were found to be magnetic with a spin polarization close to the bulk value. The calculation was performed in a tight-binding scheme, with single-site, full orbital interactions treated self-consistently. Antiferromagnetic and ferrimagnetic states with a two-atom periodicity were examined. A new type of "spatially modulated" state was found. The density of states and the spatial distribution of magnetization were obtained for each configuration. The ferromagnetic state was found to have the lowest total energy; the energy of the spatially modulated state was, however, calculated to be only 0.03 Ry per surface atom higher. Agreement with photoemission experiments is satisfactory: It is excellent for a one-atom layer of Co on Cu (111), but a theoretically predicted shift in peak location with Co layer thickness is not found experimentally. Calculations for both pure Cu (111) and Co on Cu (111) show that the spectral features observed at the corner of the surface Brillouin zone arise from the totally symmetric electronic states.

Original languageEnglish (US)
Pages (from-to)5232-5242
Number of pages11
JournalPhysical Review B
Issue number9
StatePublished - 1983
Externally publishedYes

Bibliographical note

Copyright 2015 Elsevier B.V., All rights reserved.


Dive into the research topics of 'Calculation of the magnetic states of cobalt overlayers on copper (111)'. Together they form a unique fingerprint.

Cite this