Optimization of smart Heusler alloys from first principles

► We investigate the tensile deformation of single crystalline Ni-Mn-Ga stripes by DIC. ► Mechanical constraints (fixation, bending) determine the type of twin boundary formed during training in a magnetic field. ► Orientation of strain bands (45° or 84° inclination) depends on the type of twin boundary. ► The twinning stress is lower for twin boundaries inclined by 84° compared to the case of 45°.