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arXiv · 2401.12218

Off-stoichiometric effect on magnetic and electron transport properties of Fe$_2$VAl$_{1.35}$ in respect to Ni$_2$VAl; Comparative study

Andrzej Ślebarski·Marcin Fijałkowski·Józef Deniszczyk·Maciej M. Maśka·Dariusz Kaczorowski
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Abstract

Density functional theory (DFT) calculations confirm that the structurally ordered Fe$_2$VAl Heusler alloy is nonmagnetic narrow-gap semiconductor. This compound is apt to form various disordered modifications with high concentration of antisite defects. We study the effect of structural disorder on the electronic structure, magnetic, and electronic transport properties of the full Heusler alloy Fe$_2$VAl and its off-stoichiometric equivalent Fe$_2$VAl$_{1.35}$. Data analysis in relation to {\it ab initio} calculations indicates an appearance of antisite disorder mainly due to Fe--V and Fe--Al stoichiometric variations. The data for weakly magnetic Fe$_2$VAl$_{1.35}$ are discussed in respect to Ni$_2$VAl. Fe$_2$VAl$_{1.35}$ can be classified as a nearly ferromagnetic metal with a pronounced spin glassy contribution, which, however, does not give a predominant effect on its thermoelectric properties. The figure of merit $ZT$ is at 300 K about 0.05 for the Fe sample and 0.02 for Ni one, respectively. However, it is documented that the narrow $d$ band resulting from Fe/V site exchange can be responsible for the unusual temperature dependencies of the physical properties of the Fe2TiAl$_{1.35}$ alloy, characteristic of strongly correlated electron systems. As an example, the magnetic susceptibility of Fe$_2$VAl$_{1.35}$ exhibits singularity characteristic of a Griffiths phase, appearing as an inhomogeneous electronic state below $T_G\sim 200$ K. We also performed numerical analysis which supports the Griffiths phase scenario.

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Andrzej Ślebarski, Marcin Fijałkowski, Józef Deniszczyk, Maciej M. Maśka, Dariusz Kaczorowski. 2024-01-22. Off-stoichiometric effect on magnetic and electron transport properties of Fe$_2$VAl$_{1.35}$ in respect to Ni$_2$VAl; Comparative study. https://doi.org/10.1103/physrevb.109.165105

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