First-principles characterization of ferromagnetic Mn5Ge 3 for spintronic applications

S. Picozzi, A. Continenza, Arthur J Freeman

Research output: Contribution to journalArticle

74 Citations (Scopus)

Abstract

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
Pages (from-to)1-10
Number of pages10
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume70
Issue number23
DOIs
Publication statusPublished - Dec 2004

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Magnetoelectronics
Spin polarization
Magnetic structure
Exchange interactions
Dichroism
Magnetic moments
Intermetallics
Electronic structure
Density functional theory
Magnetization
Optical properties
X rays
injection
Experiments
dichroism
intermetallics
plane waves
magnetic moments
density functional theory
electronic structure

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

First-principles characterization of ferromagnetic Mn5Ge 3 for spintronic applications. / Picozzi, S.; Continenza, A.; Freeman, Arthur J.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 70, No. 23, 12.2004, p. 1-10.

Research output: Contribution to journalArticle

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