First-principles characterization of ferromagnetic Mn5Ge 3 for spintronic applications

S. Picozzi*, A. Continenza, A. J. Freeman

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

92 Scopus citations


In the active search for potentially promising candidates for spintronic applications, we focus on the intermetallic ferromagnetic Mn5Ge 3 compound and perform accurate first-principles full-potential linearized augmented plane wave calculations within density functional theory. Through a careful investigation of the bulk electronic and magnetic structure, our results for the total magnetization, atomic magnetic moments, metallic conducting character, and hyperfine fields are found to be in good agreement with experiments, and are elucidated in terms of a hybridization mechanism and exchange interaction. In order to assess the potential of this compound for spin-injection purposes, we calculate Fermi velocities and degree of spin polarization; our results predict a rather high spin-injection efficiency in the diffusive regime along the hexagonal c axis. Magneto-optical properties, such as L2,3 x-ray magnetic circular dichroism, are also reported and await comparison with experimental data.

Original languageEnglish (US)
Article number235205
Pages (from-to)1-10
Number of pages10
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number23
StatePublished - Dec 2004

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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