Magnetism of Ni3Al and Fe3Al under extreme pressure and shape deformation: An ab initio study

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Authors

ŠOB Mojmír LEGUT Dominik FRIÁK Martin FIALA Jaroslav

Year of publication 2004
Type Article in Periodical
Magazine / Source Journal of Magnetism and Magnetic Materials
MU Faculty or unit

Faculty of Science

Citation
Field Solid matter physics and magnetism
Keywords ab initio calculations; magnetic phase transformations; volume and shape deformation
Description Total energies and magnetic moments in Ni3Al and Fe3Al are calculated along the tetragonal and trigonal transformation paths at various volumes by means of the FLAPW method. Whereas magnetism does not play an important role in stabilization of the L12 structure in Ni3Al, the magnetic effects in Fe3Al are vital.
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