Published November 15, 2023 | Version v1
Dataset Open

Supporting Data for the manuscript "Surface phase diagrams of pristine and hydroxylated barium hexaferrite surfaces from first-principles atomistic thermodynamics"

Description

The input and output files for the publication "Surface phase diagrams of pristine and hydroxylated barium hexaferrite surfaces from first-principles atomistic thermodynamics" (10.1016/j.apsusc.2023.157890). The directory structure and naming scheme is explained in the README.md file. 

Files

Ba_Hexaferrites_Stability_of_Surfaces_Dataset.zip

Files (26.7 MB)

Additional details

Related works

Is described by
Journal article: 10.1016/j.apsusc.2023.157890 (DOI)

Funding

European Commission
MAGNELIQ - A MAGNETO-ELECTRIC LIQUID – BETTER SENSING 899285
The Slovenian Research and Innovation Agency
Advanced magnetic and multifunctional materials P2-0089