The effect of Co content on magnetic property and phase stability of Ni50-xMn25Ga25Cox ferromagnetic shape memory alloys has been investigated using first-principles calculations. The total energy difference between paramagnetic and ferromagnetic state of austenite plays an important role in the magnetic transition. The high Curie temperature can be attributed to the stronger Co-Mn exchange interaction as compared to the Ni-Mn one. The phase stability of Niso-xMn25Ga25Cox austenite increases with increasing Co content, which is discussed based on the electronic structure.
The effect of Fe on the martensitic transformation of TaRu high-temperature shape memory alloys has been investigated using first-principles calculations.The site preference of Fe in TaRu alloys has been clarified for the first time,and the results show that Fe is predicted to occupy Ru sites.The addition of Fe increases the stability of the Ta 50 Ru 50 x Fe x β phase,leading to a significant decrease in the β to β ＇ martensitic transformation temperature.In addition,the mechanism of the Fe alloying effect is explained on the basis of the electronic structure.
The effect of Co substitution on magnetic properties of Ni-Mn-Sn shape memory alloy was revealed by first-principles calculations. Large magnetization difference in Ni-Mn-Sn alloy obtained by addition of Co arises from enhancement of magnetization of austenite due to change of Mn-Mn interaction from anti-ferromagnetism to ferromagnetism. Total energy difference between paramagnetic and ferromagnetic austenite plays an important role in magnetic transition of Ni-Co-Mn-Sn. The altered Mn 3d states due to Co substitution give rise to difference in magnetic properties.
