Ab initio investigation of twin boundary motion in the magnetic shape memory Heusler alloy Ni2MnGa

Gruner, Markus; Entel, Peter; Opahle, Ingo; Richter, Manuel
June 2008
Journal of Materials Science;Jun2008, Vol. 43 Issue 11, p3825
Academic Journal
Magnetic shape memory (MSM) alloys, which transform martensitically below the Curie temperature in the ferromagnetic (FM) state, represent a new class of actuators. In Ni2MnGa, unusually large magnetic field-induced strains of about 10% have been observed. This effect is related to a high mobility of martensitic twin boundaries in connection with a large magneto-crystalline anisotropy. MSM materials exist in a variety of different martensitic structures depending on temperature and compositions. We investigate the energetics of L10 phase twin boundary motion quasi-statically with ab initio methods and relate the results to calculations of the magneto-crystalline anisotropy energy. Our results indicate that for the L10 structure the energy needed for a coherent shift of a twin boundary may be too large to be overcome solely by magnetic field-induced strains.


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