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First-principles study of doping influence on twin formation in Ni-Mn-Ga nonmodulated martensite

Šesták, Petr et al.
arXiv (All) · Papers
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materials-science
We investigate how chemical substitution reshapes the energetics of twin formation in non-modulated (NM) Ni-Mn-Ga martensite. Using density functional theory, we compute generalized planar fault energy (GPFE) curves for the $(101)[10\bar{1}]$ shear system in stoichiometric Ni$_{2}$MnGa and in a set
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