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Article Dans Une Revue Physical Chemistry Chemical Physics Année : 2020

On the structure and electronic properties of Fe2V0.8W0.2Al thin films

Résumé

A very large thermoelectric figure of merit ZT = 6 at 380 K has recently been reported in Fe2V0.8W0.2Al under thin-film form (Hinterleitner et al., Nature 576 (2019) 85). Under this form, Fe2V0.8W0.2Al experimentally crystallizes in a disordered A2 crystal structure, different from its bulkform structure (L21). First principles calculations of the electronic structure performed in A2-Fe2V0.8W0.2Al supercells generated by the Special Quasi-random Structure (SQS) method are thus reported here. These calculations unambiguously indicate that A2-Fe2V0.8W0.2Al is a ferromagnetic metal at 0 K, displaying a small Seebeck coefficient at 400 K (< 30 µV K-1). The present results contradict the scenario of the occurrence of a deep pseudo-gap at the Fermi level, previously invoked to justify ZT = 6 in Fe2V0.8W0.2Al thin films.
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Dates et versions

hal-02955610 , version 1 (23-11-2020)

Identifiants

Citer

E. Alleno, A. Berche, J.-C. Crivello, A. Diack-Rasselio, P. Jund. On the structure and electronic properties of Fe2V0.8W0.2Al thin films. Physical Chemistry Chemical Physics, 2020, 22, pp.22549 - 22554. ⟨10.1039/D0CP03738A⟩. ⟨hal-02955610⟩
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