Local electronic and magnetic structure of mixed ferrite multilayer materials

Daniel M. Wells, J. Cheng, Donald E. Ellis, B. W. Wessels

Research output: Contribution to journalArticlepeer-review

9 Scopus citations


Multilayer bispinel composites, in which one member is magnetite, Fe3 O4, and the other is X Fe2 O4 (X=Mg,Mn,Ni,Co) are modeled using first-principles density-functional theory in a periodic supercell scheme. Effects of transition metal composition on charge distribution and magnetization are examined in detail in order to determine the range of variability attainable upon cation substitution and distribution. Magnetic measurement on bilayer Fe3 O4 / MgFe2 O4 and Fe3 O4 / CoFe2 O4 compositions are reported, showing a considerable increase in magnetization relative to the separate bulk compounds, in qualitative agreement with theory.

Original languageEnglish (US)
Article number174422
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number17
StatePublished - May 24 2010

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


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