SrHfO3
SrHfO3 is a stable, wide-band-gap insulating oxide used in the development of advanced electronic and dielectric materials.
About SrHfO3
SrHfO3 is a thermodynamically stable oxide that sits firmly on the convex hull, indicating robust structural integrity. As a wide-band-gap insulator, it exhibits excellent dielectric properties that make it a compelling candidate for high-performance electronic components. Its structural versatility is highlighted by the numerous reported configurations across major materials databases. This material is primarily investigated for its potential to replace conventional gate dielectrics in next-generation semiconductor devices. By leveraging its insulating nature and thermal stability, researchers aim to improve the efficiency and reliability of integrated circuits.
Key Properties
Cross-validated computational properties for SrHfO3, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of SrHfO3. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for SrHfO3, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| — | — | 4.46 | 0.0000 | -3.653 | — |
| Pnma (No. 62) | orthorhombic | 4.28 | 0.0000 | -3.671 | — |
| Pnma (No. 62) | orthorhombic | 4.17 | 0.0000 | -9.111 | 7.70 |
| — | — | 4.44 | 0.0015 | -3.651 | — |
| Imma (No. 74) | orthorhombic | 3.99 | 0.0019 | -9.109 | 7.69 |
| Imma (No. 74) | orthorhombic | 4.10 | 0.0034 | -3.668 | — |
| Cmcm (No. 63) | orthorhombic | 3.95 | 0.0037 | -9.107 | 7.69 |
| — | — | 4.25 | 0.0040 | -3.649 | — |
| I4/mcm (No. 140) | tetragonal | 4.06 | 0.0041 | -9.107 | 7.69 |
| Cmcm (No. 63) | orthorhombic | 4.06 | 0.0049 | -3.666 | — |
| — | — | 4.29 | 0.0061 | -3.647 | — |
| — | — | 4.30 | 0.0063 | -3.647 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting SrHfO3.
Applications
Where SrHfO3 is used.
Patent Landscape
1 patent reference SrHfO3 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 11335845 | High breakdown strength ferroelectric SrHfO3 materials | — | — |
Frequently Asked Questions
Common questions about SrHfO3, answered from cross-validated data.
What is SrHfO3?
SrHfO3 is a stable, wide-band-gap insulating oxide used in the development of advanced electronic and dielectric materials.
What is SrHfO3 used for?
What is the band gap of SrHfO3?
Is SrHfO3 a metal, semiconductor, or insulator?
Is SrHfO3 thermodynamically stable?
What is the crystal structure of SrHfO3?
How many polymorphs of SrHfO3 are known?
How is SrHfO3 synthesized?
What elements does SrHfO3 contain?
Where does the data for SrHfO3 come from?
How It Compares
As a standalone material in this context, SrHfO3 serves as a primary example of a stable, insulating hafnate. It represents a critical baseline for exploring high-k dielectric behavior, providing a stable platform for thin-film growth and integration into complex oxide heterostructures.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
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