Modeling Thermal Expansion of Ni2MnGe
نویسنده
چکیده
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.
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