Calcium hafnate (CaHfO3) is a perovskite-structured ceramic compound combining calcium oxide with hafnium oxide, belonging to the family of refractory oxides. This material is primarily of research and developmental interest for high-temperature applications where exceptional thermal stability and chemical inertness are required, such as thermal barrier coatings, advanced refractory linings, and potential use in nuclear or aerospace environments where hafnium-based ceramics offer superior performance compared to more common alternatives like yttria-stabilized zirconia. Its attraction lies in hafnium's inherent resistance to oxidation and its ability to withstand extreme temperatures, making CaHfO3 a candidate material for next-generation thermal protection systems, though industrial deployment remains limited compared to more established perovskite ceramics.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 167.3 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2500 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 98.79 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 6.928 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 4.716 | eV | DFT · PBE | ||
| ↳ | 7.000 | eV | DFT · GLLB-SC | ||
| ↳ | 4.568 | eV | DFT · OptB88vdW | ||
Dielectric Constant (Relative Permittivity)(εr) | 9.446 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 4.381 | - | DFT · OptB88vdW | ||
Magnetic Moment(μB)3 entries | 0.000 | μB | DFT | ||
| ↳ | 0.000613 | μB | DFT | ||
| ↳ | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00187 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000602 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -272.5 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 427.8 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf)4 entries | -3.669 | eV/atom | DFT | ||
| ↳ | 0.02000 | eV/atom | DFT | ||
| ↳ | -3.679 | eV/atom | DFT · OptB88vdW | ||
| ↳ | -3.689 | eV/atom | Measured |
Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data