DyGaO3
Dysprosium gallate
DyGaO3 is a wide-gap insulating oxide with a perovskite-like structure that is primarily utilized as a specialized substrate for the growth of functional thin films.
About Dysprosium gallate
DyGaO3 is a complex oxide characterized by its wide-gap insulating electronic structure. As a member of the gallate family, it exhibits significant thermodynamic stability, placing it near the convex hull and making it a viable candidate for experimental synthesis and thin-film growth. Its structural versatility is highlighted by multiple reported crystallographic phases across various databases. This compound is primarily investigated for its role as a high-quality substrate material, where its lattice parameters and insulating nature are critical for the epitaxial growth of functional thin films. Its ability to maintain structural integrity under diverse conditions makes it a subject of interest for researchers focused on oxide electronics and interface engineering.
Key Properties
Cross-validated computational properties for Dysprosium gallate, aggregated across 4 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 DyGaO3. 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 DyGaO3, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 3.89 | 0.0000 | -2.948 | — |
| P63cm (No. 185) | hexagonal | 2.87 | 0.0249 | -7.653 | 7.34 |
| — | — | 4.08 | 0.0475 | -2.972 | — |
| Pnma (No. 62) | orthorhombic | 3.64 | 0.0482 | -7.630 | 8.20 |
| — | — | 4.13 | 0.1056 | -2.914 | — |
| — | — | 4.24 | 0.1152 | -2.904 | — |
| — | — | 4.11 | 0.1505 | -2.869 | — |
| — | — | 3.80 | 0.1677 | -2.852 | — |
| — | — | 3.22 | 0.1844 | -2.835 | — |
| — | — | 3.13 | 0.3274 | -2.692 | — |
| — | — | 2.95 | 0.3319 | -2.687 | — |
| — | — | 3.10 | 0.3320 | -2.687 | — |
Applications
Where Dysprosium gallate is used.
Frequently Asked Questions
Common questions about Dysprosium gallate, answered from cross-validated data.
What is DyGaO3?
DyGaO3 is a wide-gap insulating oxide with a perovskite-like structure that is primarily utilized as a specialized substrate for the growth of functional thin films.
What is DyGaO3 used for?
What is the band gap of DyGaO3?
Is DyGaO3 a metal, semiconductor, or insulator?
Is DyGaO3 thermodynamically stable?
What is the crystal structure of DyGaO3?
How many polymorphs of DyGaO3 are known?
What elements does DyGaO3 contain?
Where does the data for DyGaO3 come from?
How It Compares
Within the transparent conducting oxides class.
Unlike the highly conductive ZnO or the transparent conducting oxide BaSnO3, DyGaO3 functions as a robust insulator. While it shares the perovskite-related structural framework found in LaGaO3, its inclusion of the lanthanide dysprosium provides distinct magnetic and structural characteristics that differentiate it from spinel-structured siblings like ZnGa2O4 or ZnCr2O4.
Related Compounds
Other Transparent Conducting Oxides in the database.
Data sources & attribution
- 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)
- 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)
- alexandria — Data from Alexandria. Cite: Schmidt et al., npj Comput. Mater. 10, 200 (2024). (CC-BY-4.0)
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