Electronic structure and magnetism of modulated structures

A. J. Freeman*, Jian hua Xu, T. Jarlborg

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

35 Scopus citations

Abstract

Results of all-electron self-consistent spin-polarized band structure studies on CuNi and PdAu coherent modulated structures are presented. For CuNi, modulations along [111] and [100] for different wavelengths and supercells up to 12 layers predict Ni moments to be reduced vs. fcc Ni, but no 'dead" layers even in the most dilute system. Adjacent Cu layers acquire small magnetic moments, which may be measured by NMR. Increased exchange enhancements are found and a possible ferromagnetic instability is discussed in relation to the strongly enhanced susceptibility observed in PdAu sandwiches by Brodsky and Freeman. Shear and distortion effects are investigated with separate calculations on tetragonally distorted bulk Ni and Pd.

Original languageEnglish (US)
Pages (from-to)909-914
Number of pages6
JournalJournal of Magnetism and Magnetic Materials
Volume31-34
Issue numberPART 2
DOIs
StatePublished - Feb 1983

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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