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...

Full description

Bibliographic Details
Main Authors: Hua, X, Dean, T, Cussen, SA, Goodwin, AL
Format: Journal article
Language:English
Published: IOP Publishing 2023