Structure Stability and Magnetic Properties of Ni2XGa (X = Mn, Fe, Co) Ferromagnetic Shape Memory Alloys by DFT Approach
In this paper, we report some ab initio calculation results of three perfect stoichiometric alloy systems Ni2XGa (X = Mn, Fe, Co). The calculations have been performed on optimizing the crystal structures in both austenitic and martensitic phases, the electronic density of states (DOS), the magnetic properties and the difference of charge distributions on considering that Mn, Fe, Co are adjacent to each other within one period in the periodic table of elements, and they are all ferro-magnetic. We have shown the impact of these magnetic elements on several properties of each alloy. Study on these three Heusler alloy systems is important in view of property prediction.
H. Klein and R.A. Schwarzer
J. Bai et al., "Structure Stability and Magnetic Properties of Ni2XGa (X = Mn, Fe, Co) Ferromagnetic Shape Memory Alloys by DFT Approach", Solid State Phenomena, Vol. 160, pp. 69-74, 2010