Ba₂HfO₄ is a barium hafnate ceramic compound belonging to the rare-earth and refractory oxide family, characterized by a perovskite-related crystal structure. This material is primarily investigated in research contexts for high-temperature applications and specialized electronic devices, where its chemical stability and thermal properties are leveraged. While not yet widely commercialized, hafnate ceramics like this compound are of interest for advanced aerospace thermal protection, nuclear fuel cladding alternatives, and high-k dielectric applications where conventional oxides reach performance limits.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K)2 entries | 15,940.2 | ksi | DFT | ||
| ↳ | 17,221.8 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2700 | - | DFT · OptB88vdW | ||
Shear Modulus(G)2 entries | 8,668.4 | ksi | DFT | ||
| ↳ | 9,428.9 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.2618 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 3.476 | eV | DFT · OptB88vdW | ||
| ↳ | 4.918 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 29.14 | - | DFT · OptB88vdW | ||
| ↳ | 18.22 range 4.423–32.02median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 4.447 | - | DFT · OptB88vdW | ||
| ↳ | 3.751 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.4900 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 2.717 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00128 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00161 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -164 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 391.4 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 0.000 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -3.412 | eV/atom | DFT · OptB88vdW |
Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data