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Understanding the phase transitions of the Ni2MnGa magnetic shape memory system from first principles
M A Uijttewaal1, T Hickel, J Neugebauer
1Max-Planck-Institut für Eisenforschung GmbH, D-40237, Düsseldorf, Germany. uijttewaal@mpie.de
Abstract:
The free energies of the austenite, the (modulated) premartensite and the unmodulated martensite of Ni2MnGa are determined using density functional theory and including quasiharmonic phonons and fixed-spin-moment magnons. This approach very well reproduces the complete phase sequence (martensite<-->premartensite<-->austenite) of stoichiometric Ni2MnGa as a function of temperature. By analyzing the relevant free energy contributions, we also understand the delicate interplay of phonons and magnons driving both phase transitions.
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