Thermodynamics of phase stability and disorder in Inter-Lanthanide ternary ABO3 oxides from first principles

Inter-lanthanide ternary oxides (IL-ABO3) find application in various technological fields due to their diverse properties and flexible chemistries that are readily synthesizable in multiple crystal structures. Here, we investigate the chemistry-dependent thermodynamic formability and the tendency t...

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Bibliographic Details
Main Authors: V. Kocevski, G. Pilania, B.P. Uberuaga
Format: Article
Language:English
Published: Elsevier 2023-04-01
Series:Materials & Design
Online Access:http://www.sciencedirect.com/science/article/pii/S0264127523002459