Electronic structure-property relationship in an Al0.5TiZrPdCuNi high-entropy alloy
arxiv(2024)
摘要
The valence band (VB) structure of an Al0.5TiZrPdCuNi high-entropy alloy
(HEA) obtained from X-ray photoelectron spectroscopy has been compared to that
recently calculated by Odbadrakh et al, 2019. Both experimental and theoretical
VBs show split-band structures typical of alloys composed from the early (TE)
and late (TL) transition metals. Accordingly, several properties of this alloy
(both in the glassy and crystalline state) associated with the electronic
structure (ES), are compared with those of similar TE-TL alloys. The comparison
shows in addition to the usual dependence on the total TL content strong effect
of alloying with Al on the density of states at the Fermi level, N(EF) and on
the magnetic susceptibility of Al0.5TiZrPdCuNi HEA, which is like that of
conventional glassy alloys, such as Zr-Cu-Al ones. Despite some similarity
between the shapes of theoretical and corresponding experimental VBs there are
significant quantitative differences between them which should be taken into
account in any future studies of ES in HEAs and other compositionally complex
alloys (CCA).
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