Can Empirical Biplots Predict High Entropy Oxide Phases?

Abstract

High entropy oxides are entropy-stabilised oxides that adopt specific disordered structures due to entropy stabilisation. They are a new class of materials that utilises the high-entropy concept first discovered in metallic alloys. They can have interesting properties due to the interactions at the electronic level and can be combined with other materials to make composite structures. The design of new meta-materials that utilise this concept to solve real-world problems may be a possibility but further understanding of how their phase stabilisation is required. In this work, biplots of the composition’s mean electronegativity are plotted against the electron-per-atom ratio of the compounds. The test dataset accuracy in the resulting biplots improves from 78% to 100% when using atomic-number-per-atom Z/a ratios as a biplot parameter. Phase stability maps were constructed using a Voronoi tessellation. This can be of use in determining stability at composite material interfaces.