High entropy alloys: structural disorder and magnetic properties

High-entropy alloys (HEAs) are promising materials for catalysis and energy storage, and at the same time they are extremely hard, heat resistant and demonstrate great variability in their magnetic behaviour. Now, a team at BESSY II in collaboration with Ruhr University Bochum, BAM, Freie Universität Berlin and University of Latvia has gained new insights into the local environment of a so-called high-entropy Cantor alloy made of chromium, manganese, iron, cobalt and nickel, and has thus also been able to partially explain the magnetic properties of a nanocrystalline film of this alloy.

High entropy alloys or HEAs consist of five or more different metallic elements and are an extremely interesting class of materials with a great diversity of potential applications. Since their macroscopic properties are strongly dependent on interatomic interactions, it is utterly interesting to probe the local structure and structural disorder around each individual element by element-specific techniques. Now, a team has examined a so called Cantor alloy – a model system to study the high-entropy effects on the local and macroscopic scales.

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Image: The Cantor alloy under study consists of chromium (grey), manganese (pink), iron (red), cobalt (blue), and nickel (green). X-ray methods allow to probe each individual component in an element-specific way.

Credit: © A. Kuzmin/University of Latvia and A. Smekhova/HZB

Atomic displacements in High-Entropy Alloys examined

High-entropy alloys of 3d metals have intriguing properties that are interesting for applications in the energy sector. An international team at BESSY II has now investigated the local order on an atomic scale in a so-called high-entropy Cantor alloy of chromium, manganese, iron, cobalt and nickel. The results from combined spectroscopic studies and statistical simulations expand the understanding of this group of materials.

High-entropy alloys are under discussion for very different applications: Some materials from this group are suitable for hydrogen storage, others for noble metal-free electrocatalysis, radiation shielding or as supercapacitors.

The microscopic structure of high-entropy alloys is very diverse and changeable; in particular, the local ordering and the presence of different secondary phases affect significantly the macroscopic properties such as hardness, corrosion resistance and also magnetism. The so-called Cantor alloy, which consists of the elements chromium, manganese, iron, cobalt and nickel mixed in an equimolar proportion, can be considered as a suitable model system for the whole class of these materials.

Local structure studied at BESSY II

Scientists from the Federal Institute for Materials Research (BAM, Berlin), the University of Latvia in Riga, Latvia, the Ruhr University in Bochum and the HZB have now studied the local structure of this model system in detail. Using X-ray absorption spectroscopy (EXAFS) at BESSY II, they were able to precisely track each individual element and their displacements from the ideal lattice positions for this system in the most unbiased manner with the help of statistical calculations and the reverse Monte Carlo method.

Read more on the HZB website

Image: The supercell is randomly filled with the five elements on the fcc-lattice positions; In the starting configuration, all layers are precisely on top of each other. The displacements of all elements in the final configuration have been revealed by a simultaneous fit of the independent experimental spectra with a use of Reverse Monte Carlo simulations.

Credit: © A.Kuzmin / University of Latvia and A. Smekhova / HZ