Electronic structure–property relationship in an Al0.5TiZrPdCuNi high-entropy alloy

Author:

Babić Emil1ORCID,Figueroa Ignacio A.2ORCID,Mikšić Trontl Vesna3ORCID,Pervan Petar3ORCID,Pletikosić Ivo45ORCID,Ristić Ramir6ORCID,Salčinović Fetić Amra7ORCID,Skoko Željko1ORCID,Starešinić Damir3ORCID,Valla Tonica48ORCID,Zadro Krešo1ORCID

Affiliation:

1. Department of Physics, Faculty of Science, University of Zagreb 1 , Bijenička Cesta 32, HR-10000 Zagreb, Croatia

2. Institute for Materials Research-UNAM, Ciudad Universitaria Coyoacan 2 , C.P. 04510, Mexico D.F., Mexico

3. Institute of Physics 3 , Bijenička Cesta 46, HR-10000 Zagreb, Croatia

4. Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory 4 , Upton, New York 11973, USA

5. Department of Physics, Princeton University 5 , Princeton, New Jersey 08544, USA

6. Department of Physics, University of Osijek 6 , Trg Ljudevita Gaja 6, HR-31000 Osijek, Croatia

7. Faculty of Science, University of Sarajevo 7 , Zmaja od Bosne 35, 71000 Sarajevo, Bosnia and Herzegovina

8. Donostia International Physics Center 8 , 20018 Donostia-San Sebastian, Spain

Abstract

The valence band (VB) structure of an Al0.5TiZrPdCuNi high-entropy alloy (HEA) obtained using x-ray photoelectron spectroscopy has been compared to that recently calculated by Odbadrakh et al. [J. Appl. Phys. 126, 095104 (2019)]. Both the experimental and theoretical VBs show a split-band structure, typical for alloys consisting of the early (TE) and late (TL) transition metals. Accordingly, several electronic structure (ES) properties of this alloy, both in the glassy and crystalline state, are compared with those of similar TE-TL alloys. The comparison shows a 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, similar to that in conventional glassy alloys, such as Zr-Cu-Al ones. Despite some similarity in the theoretical and experimental density of states of the VBs, there are significant differences between them, which should be taken into account in any future studies of ES in HEAs and other compositionally complex alloys.

Funder

Croatian Science Foundation

Croatian Government and the European Union through the European Regional Development Fund - Competitiveness and Cohesion Operationl Programme

Ministry of Science, Higher Eduacation and Youth, Canton Sarajevo, Federation of Bosnia and Herzegovina, Bosnia and Herzegovina

Croatian Government and the European Union through the European Regional Development Fund - Competitiveness and Cohesion Operational Programme

European Union through the European Regional Development Fund under the Competitiveness and Cohesion Operational Programme

The Environmental Protection and Energy Efficiency Fund

Publisher

AIP Publishing

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