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.
Related projects:	Quantum-mechanical studies of strength, stability and phase transformations in advanced intermetallic compounds