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National Repository of Grey Literature

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Magnetism and phase stability of Ni3Al structures Legut, Dominik ; Friák, Martin ; Šob, Mojmír ; Fiala, J. Phase stability, magnetic behavior and theoretical strength of Ni3Al is studied by means of first-principles electronic structure calculations. Total energy calculations are performed along the trigonal and tetragonal deformation paths. The phase boundaries between the ferromagnetic and non-magnetic phase are determined. Detailed record

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