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Magnetic, Electronic, Thermodynamic, and Thermoelectric Properties of Fe16N2 Alloys: Ab Initio Study

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Abstract

We investigate the electronic properties and the magnetism of iron nitrides Fe16N2 by the use of full-potential linear augmented plane-wave (FP-LAPW) method based on the density-functional theory as implemented in the WIEN2k code. The thermal properties comprising the heat capacity, the volume thermal expansion coefficient, and entropy parameter were evaluated at various temperatures and pressures. We also studied the change of the thermoelectric and transport properties as a function of temperature at various pressures, based on electrical and thermal conductivity, carrier concentration per unit cell, and Pauli magnetic susceptibility. The pressure effects on the magnetic, thermodynamic and the transport properties of Fe16N2 compound we discussed as well.

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Authors and Affiliations

  1. LBGM, ENS de Casablanca, Hassan II University of Casablanca, Casablanca, Morocco

    A. Saadi

  2. LPMAT, Faculté des sciences Ain chok, Hassan II University of Casablanca, Casablanca, Morocco

    A. Saadi, H. Lassri & R. Moubah

  3. LPM, Faculté Des Sciences Et de Technologies, Sultan Moulay Slimane Université, Beni Mellal, Morocco

    M. Lassri &  M.Sajieddine

  4. Institut Néel, CNRS - Université Grenoble Alpes, BP 166, 38042, Grenoble, France

    E. K. Hlil

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  1. A. Saadi
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  2. M. Lassri
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  3. M.Sajieddine
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  4. H. Lassri
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Correspondence to R. Moubah.

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Saadi, A., Lassri, M., M.Sajieddine et al. Magnetic, Electronic, Thermodynamic, and Thermoelectric Properties of Fe16N2 Alloys: Ab Initio Study. J Supercond Nov Magn 35, 1621–1628 (2022). https://doi.org/10.1007/s10948-022-06267-9

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  • DOI: https://doi.org/10.1007/s10948-022-06267-9

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