First-principles calculations on elastic, magnetoelastic, and phonon properties of Ni2FeGa magnetic shape memory alloys

• 来源期刊: 中国物理B（英文版）
• 关键词: Ni2FeGa elastic constants first-principles calculations magnetoelastic coefficients
• 年，卷（期）: 2018,（1）
• 页码范围: 443-448
• 页数: 6页
• 语种: 英文
• DOI: 10.1088/1674-1056/27/1/016201

摘要

The elastic, magnetoelastic, and phonon properties of Ni2FeGa were investigated through first-principles calculations. The obtained elastic and phonon dispersion curves for the austenite and martensite phases agree well with available the-oretical and experimental results. The isotropic elastic moduli are also predicted along with the polycrystalline aggregate properties including the bulk modulus, shear modulus, Young's modulus, and Poisson's ratio. The Pugh ratio indicates that Ni2FeGa shows ductility, especially the austenite phase, which is consistent with the experimental results. The Debye tem-peratures of the Ni2FeGa in the austenite and martensite phases are 344 K and 392 K, respectively. It is predicted that the magnetoelastic coefficient is?5.3 × 106 J/m3 and magnetostriction coefficient is between 135 and 55 ppm in the Ni2FeGa austenite phase.