Combined experimental and theoretical study on the effect of Nb content on martensitic transformation of NbRu shape memory alloys

The effect of Nb content on the martensitic transformation of NbRu high-temperature shape memory alloys is investigated by experiments and first-principles calculations. We calculate the lattice parameters, density of states, charge density, and heats of formation of Nb_50+xRu_50-x β phase. The results show that an increase in Nb content increases the stability of Nb_50+xRu_50-x β phase, leading to a significant decrease of the β to β' martensitic transformation temperature. In addition, the mechanism of the effects of Nb content on phase stability and martensitic transformation temperature is studied on the basis of electronic structure.