Decoding short-range order in cation-disordered rocksalt materials using Metropolis non-negative matrix factorisation

We present a methodology for accessing the cation short-range ordering (SRO) in disordered rocksalt (DRX) materials by decomposing their pair distribution function (PDF) pattern in terms of a set of basis PDFs, pre-determined via Metropolis non-negative matrix factorisation analysis. These basis PDF...

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Autori principali:	Xiao Hua, Thomas Dean, Serena A Cussen, Andrew L Goodwin
Natura:	Artigo
Lingua:	Inglês
Pubblicazione:	IOP Publishing 2023-01-01
Serie:	JPhys Materials
Soggetti:	disordered rocksalt pair distribution function Metropolis non-negative matrix factorisation
Accesso online:	https://doi.org/10.1088/2515-7639/acf5a5
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