First-principles study of Ba3B2O3F6 fluorooxoborate: From structural prediction to physical properties under high pressure › Research Explorer

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First-principles study of Ba3B2O3F6 fluorooxoborate: From structural prediction to physical properties under high pressure

Research output: Contribution to journal › Article › peer-review

DOI

https://doi.org/10.1016/j.physb.2026.418946
Final published version

Original language	English
Article number	418946
Number of pages	6
Journal	Physica B: Condensed Matter
Volume	739
DOIs	https://doi.org/10.1016/j.physb.2026.418946
Publication status	Published - 1 Oct 2026

OECD FOS+WOS

1.03.UK PHYSICS, CONDENSED MATTER

Research areas

Density functional theory, Electronic properties, Fluorooxoborates, High pressure, Phase stability

ID: 79968361