摘要
The elastic properties and electronic structure of B2 phase binary TiM （M =Fe, Co, Ni, Pd, Pt and Au） and ternary TisoNi43.75Pd6.25, TisoNi43.75Cu6.25 shape memory alloys are studied by the plane-wave psedudopotential method within the local density approximation. The elastic constants and density of states are calculated. Our calculations show that the martensitic transformation behaviour of these alloys is closely related to their elastic properties. The Ti d DOS at the Fermi level is mainly responsible for the B2 phase stability of these alloys.
The elastic properties and electronic structure of B2 phase binary TiM （M =Fe, Co, Ni, Pd, Pt and Au） and ternary TisoNi43.75Pd6.25, TisoNi43.75Cu6.25 shape memory alloys are studied by the plane-wave psedudopotential method within the local density approximation. The elastic constants and density of states are calculated. Our calculations show that the martensitic transformation behaviour of these alloys is closely related to their elastic properties. The Ti d DOS at the Fermi level is mainly responsible for the B2 phase stability of these alloys.
基金
Supported by the National Natural Science Foundation of China under Grant No 50471018.
