Modeling Thermal Expansion of Ni2MnGe |
| M. Pugaczowa-Michalska
Institute of Molecular Physics, Polish Academy of Sciences, M. Smoluchowskiego 17, 60-179 Poznań, Poland |
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| The present study of Ni2MnGe is focused on describing the thermal properties of the alloy in the framework of first-principles electronic structure calculations coupled with a Debye treatment of the vibrating lattice. The electronic structure of Ni2MnGe has been studied using the full-potential nonorthogonal local-orbital minimum basis method. Two approximations for Grüneisen parameter γ, i.e. Slater's and Dugdale and MacDonald's expressions were assumed. |
| DOI: 10.12693/APhysPolA.115.194 PACS numbers: 71.20.Lp, 71.20.Be, 65.40.De |