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Existence of La-site antisite defects in [Formula: see text] ([Formula: see text] , Fe, and Co) predicted with many-body diffusion quantum Monte Carlo

The properties of [Formula: see text] (M: 3d transition metal) perovskite crystals are significantly dependent on point defects, whether introduced accidentally or intentionally. The most studied defects in La-based perovskites are the oxygen vacancies and doping impurities on the La and M sites. He...

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Detalles Bibliográficos
Autores principales:	Ichibha, Tom, Saritas, Kayahan, Krogel, Jaron T., Luo, Ye, Kent, Paul R. C., Reboredo, Fernando A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10130183/ https://www.ncbi.nlm.nih.gov/pubmed/37185382 http://dx.doi.org/10.1038/s41598-023-33578-1

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