| CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES |
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First-Principles Calculations of Elastic Properties of Cubic Ni2MnGa |
| CHEN Dong1, XIAO Qi-Min2, ZHAO Ying-Lu3, YU Ben-Hai1, WANG Chun-Lei1, SHI De-Heng1 |
| 1College of Physics and Electronic Engineering, Xinyang Normal University, Xinyang 4640002Department of Foundation, The First Aeronautical College of Air Force, Xinyang 4640003College of Physics and Electronic Engineering, Ludong University, Yantai 264025 |
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| Cite this article: |
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CHEN Dong, XIAO Qi-Min, ZHAO Ying-Lu et al 2009 Chin. Phys. Lett. 26 016201 |
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Abstract Dependence of bulk modulus on both pressure and temperature, the elastic constants Cij and the pressure and temperature dependence of normalized volume V/V0 of cubic Ni2MnGa 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 800K 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.
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| Keywords:
62.20.Dc
81.05.Bx
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Received: 15 July 2008
Published: 24 December 2008
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