Electronic structure, magnetic and thermal properties of Rh sub(2)MnZ (Z=Ge, Sn, Pb) compounds under pressure from ab-initio quasi-harmonic method

We have investigated the electronic structure, magnetic and thermal properties of the ternary full-Heusler alloys Rh sub(2)MnZ (Z=Ge, Sn, Pb) under pressure employing the full potential linearized augmented plane wave (FP-LAPW) plus local orbitals method based on the density functional theory (DFT),...

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Published inJournal of magnetism and magnetic materials Vol. 371; pp. 130 - 134
Main Authors Benkhelifa, F Z, Lekhal, A, Mecabih, S, Abbar, B, Bouhafs, B
Format Journal Article
LanguageEnglish
Published 02.12.2014
Subjects
Debye temperature
Electronic structure
Lead (metal)
Magnetic properties
Plane waves
Specific heat
Thermal properties
Tin
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Summary:We have investigated the electronic structure, magnetic and thermal properties of the ternary full-Heusler alloys Rh sub(2)MnZ (Z=Ge, Sn, Pb) under pressure employing the full potential linearized augmented plane wave (FP-LAPW) plus local orbitals method based on the density functional theory (DFT), For the exchange-correlation effects we have adopted the generalized gradient approximation (GGA).Through the quasi-harmonic Debye model, we also study the thermodynamic properties of Rh sub(2)MnZ (Z=Ge, Sn and Pb). The thermal expansion versus temperature and pressure, the thermodynamic parameters (Debye temperature and specific heat) with pressure P, and the heat capacity at various pressures and temperatures in the ranges of 0 GPa to 0.6 GPa and 0 K to 400 K have been obtained.
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ISSN:0304-8853
DOI:10.1016/j.jmmm.2014.07.048