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arXiv · 0808.0975

Magnetocaloric properties of Fe_{2-x}T_xP (T = Ru and Rh) from electronic structure calculations and magnetisation measurements

B. Wiendlocha·J. Tobola·S. Kaprzyk·R. Zach·E. K. Hlil·D. Fruchart
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Abstract

An analysis of the magnetocaloric properties of the pure and substituted Fe2P compounds is made based on KKR-CPA electronic structure calculations and magnetisation M(H,T) measurements. The computed electronic densities of states and magnetic moments are used to calculate both the values of the electronic and magnetic entropies, which fairly agree with the experimental findings. To enlighten the magnetic properties above Curie temperature, the paramagnetic state behaviours are simulated using the disordered local moments (DLM) concept. The KKR-CPA computations show, that in Fe2P, the Fe magnetic moment of the (3f) site disappears in the DLM state, while the moment of the (3g) site is only little lowered, comparison made with the low temperature ferromagnetic state.

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B. Wiendlocha, J. Tobola, S. Kaprzyk, R. Zach, E. K. Hlil, D. Fruchart. 2008-08-07. Magnetocaloric properties of Fe_{2-x}T_xP (T = Ru and Rh) from electronic structure calculations and magnetisation measurements. https://doi.org/10.1088/0022-3727/41/20/205007

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