Étude des propriétés de transport électronique des métaux de transition et des alliages liquides

Abstract : The electronic transport properties of liquid transition metals and liquid binary alloys have been studied in the framework of Ziman's formalism for pure metals and the Faber-Ziman formalism for alloys. For the liquid 3d transition metal series the resistivity and the thermoelectric power have been determined using a spin polarized approach. This approach assumes the existence of a liquid paramagnetic phase with transition metal atoms bearing a magnetic moment. The influence of our assumption of the transport properties is evidenced by comparison of the non-magnetic results with the magnetic ones. The values of the resistivity calculated in the spin polarized approach are lower than those obtained with the classical approach. However, both calculations overestimate the experience as do all the results of the litterature based on Ziman's formula. Nevertheless, the spin polarized apporach has the advantage to provide currently closest results to the experience. For the binary alloys the influence on the resistivity of the immediate environment of an atom in the liquid phase has been evaluated? For that purpose an alloy potential has been constructed in terms of radial distribution functions describing the local order. The alloy potential clearly improves the resistivity results with respect to those calculated within the phase shifts of pure metals. Another very interesting contribution concerns the origin of the alloy resistivity maximum wich is attributed without ambiguity to the presence of cesium d conduction states. The alloy potential emphasizes this effect. The study is completed by inserting the effect of the bulk of alloy in calculation of the resistivity
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Hafida Zrouri. Étude des propriétés de transport électronique des métaux de transition et des alliages liquides. Science des matériaux [cond-mat.mtrl-sci]. Université Paul Verlaine - Metz, 2001. Français. ⟨NNT : 2001METZ029S⟩. ⟨tel-01775440⟩

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