Effects of band hybridization on interface magnetism: Ni overlayers on Fe(001)

J. I. Lee*, S. C. Hong, A. J. Freeman

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

7 Scopus citations


Surface and interface magnetism of metastable bcc Ni monolayer (1Ni/Fe) and bilayer (2Ni/Fe) as overlayers on Fe(001) are investigated using the FLAPW band method within the local spin density approximation. Total energy calculations show that the NiFe bond length (2.39 a.u.) in 1Ni/Fe is less relaxed compared to that of 2Ni/Fe (2.34 a.u.). The magnetic moment (0.86μB) of the surface Ni atom in 1Ni/Fe is found to be enhanced from those of the surface and interface Ni atoms (0.69μB for both) in 2Ni/Fe due to the strong hybridization between the d bands of Fe and Ni. The calculated charge and spin densities, single-particle energy bands, and hyperfine fields for both 1Ni/Fe and 2Ni/Fe are presented.

Original languageEnglish (US)
Pages (from-to)1684-1686
Number of pages3
JournalJournal of Magnetism and Magnetic Materials
Issue numberPART 3
StatePublished - Feb 2 1992

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


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