Ba2HfO4
Ba2HfO4 is a thermodynamically stable, insulating oxide material composed of barium, hafnium, and oxygen.
About Ba2HfO4
Ba2HfO4 is a complex oxide composed of barium, hafnium, and oxygen. As a thermodynamically stable phase located on the convex hull, it demonstrates significant structural integrity and resistance to decomposition under standard conditions.
This material functions as a wide-band-gap insulator, making it an intriguing candidate for electronic and optical applications where high-performance dielectric properties are required. Its stability and electronic character position it as a reliable subject for ongoing materials research.
Key Properties
Cross-validated computational properties for Ba2HfO4, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Applications
Where Ba2HfO4 is used.
Frequently Asked Questions
Common questions about Ba2HfO4, answered from cross-validated data.
What is Ba2HfO4?
Ba2HfO4 is a thermodynamically stable, insulating oxide material composed of barium, hafnium, and oxygen.
What is Ba2HfO4 used for?
What is the band gap of Ba2HfO4?
Is Ba2HfO4 a metal, semiconductor, or insulator?
Is Ba2HfO4 thermodynamically stable?
How many polymorphs of Ba2HfO4 are known?
What elements does Ba2HfO4 contain?
Where does the data for Ba2HfO4 come from?
How It Compares
As a stable oxide in the barium-hafnium-oxygen system, Ba2HfO4 serves as a foundational reference point for exploring high-k dielectric materials. While it lacks direct structural siblings in this specific dataset, its position on the convex hull distinguishes it as a highly favorable phase for synthesis and characterization compared to metastable alternatives.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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