First principles study of electronic and magnetic properties of Co 2MnGe/GaAs interfaces

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

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

47 Scopus citations


Ab initio calculations within density functional theory have been performed for the Co2MnGe/GaAs junctions, focusing on the effect of the interface geometry on the relevant electronic and magnetic properties. Our calculations show that half-metallicity, present in bulk Co2MnGe, is lost when the Heusler compound is deposited on the semiconducting substrate, emphasizing the importance of interface effects in the design and efficiency of spin-injection processes. Our calculated local magnetic moments on the interface atoms show that the magnetic properties are not strongly affected by the presence of the interface, except for the Co-terminated case, where the Co atoms on the bridge site show a tendency towards magnetism quenching, similar to the Fe/GaAs junction.

Original languageEnglish (US)
Pages (from-to)1697-1701
Number of pages5
JournalJournal of Physics and Chemistry of Solids
Issue number9-10
StatePublished - Sep 2003


  • A. Semiconductors
  • C. Ab initio calculations
  • D. Magnetic properties

ASJC Scopus subject areas

  • General Chemistry
  • General Materials Science
  • Condensed Matter Physics


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