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arXiv · 1906.01085

Unavoidable disorder and entropy in multi-component systems

Cormac Toher·Corey Oses·David Hicks·Stefano Curtarolo
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Abstract

The need for improved functionalities is driving the search for more complicated multi-component materials. Despite the factorially increasing composition space, ordered compounds with 4 or more species are rare. Here, we unveil the competition between the gain in enthalpy and entropy with increasing number of species by statistical analysis of the AFLOW data repositories. A threshold in the number of species is found where entropy gain exceeds enthalpy gain. Beyond that, enthalpy can be neglected, and disorder - complete or partial - is unavoidable.

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Cormac Toher, Corey Oses, David Hicks, Stefano Curtarolo. 2019-06-03. Unavoidable disorder and entropy in multi-component systems. https://arxiv.org/abs/1906.01085

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