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Unavoidable disorder and entropy in multi-component systems

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 نشر من قبل Stefano Curtarolo
 تاريخ النشر 2019
  مجال البحث فيزياء
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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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