First-principles calculations of elastic properties of Cubic Ni 2MnGa Article

cited authors

  • Chen, D; Xiao, QM; Zhao, YL; Yu, BH; Wang, CL; Shi, DH

fiu authors

abstract

  • Dependence of bulk modulus on both pressure and temperature, the elastic constants C ij and the pressure and temperature dependence of normalized volume V/V 0 of cubic Ni 2MnGa alloy are successfully obtained using the first-principles plane-wave pseudopotential (PW-PP) method as well as the quasi-harmonic Debye model. We analyse the relationship between bulk modulus and temperature up to 800 K and obtain the relationships between bulk modulus B and pressures at different temperatures. It is found that the bulk modulus B increases monotonically with increasing pressure. Moreover, the temperature dependences of the Debye temperature are also analysed. The calculated results are in agreement with the available experimental data and the previous theoretical results. © 2009 Chinese Physical Society and IOP Publishing Ltd.

publication date

  • June 3, 2009

Digital Object Identifier (DOI)

volume

  • 26

issue

  • 1