Ni-Mn-Ga-Ti铁磁形状记忆合金的相稳定性和磁性能的第一性原理计算

白静,石少锋,王锦龙,王帅,赵骧

First-Principles Calculations of Phase Stability and Magnetic Properties of Ni-Mn-Ga-Ti FerromagneticShape Memory Alloys

Jing BAI,Shaofeng SHI,Jinlong WANG,Shuai WANG,Xiang ZHAO

表1 Ni8Mn4-xGa4Tix (x=0、0.5、1、1.5和2)合金的铁磁奥氏体(FA)和非调制马氏体相(NM)的平衡晶格参数

Table 1 Equilibrium lattice parameters (a and c) of the ferromagnetic austenite (FA) and NM phases of Ni8Mn4-xGa4Tix (x=0, 0.5, 1, 1.5 and 2) alloys

x Phase a / nm c / nm c/a 0 FA 0.5794 (0.5823[35]) NM 0.3794 (0.3852[36]) 0.6736 (0.6580[36]) 1.775 (1.708[36]) 0.5 FA 0.5806 NM 0.3846 0.6598 1.716 1 FA 0.5817 NM 0.3909 0.6417 1.642 1.5 FA 0.5830 NM 0.4104 0.5892 1.436 2 FA 0.5842 NM 0.4125 0.5840 1.416