Ba4HfO6 is a barium hafnium oxide ceramic compound belonging to the perovskite-related oxide family, combining a rare earth-group metal (hafnium) with alkaline earth chemistry. This material is primarily investigated in research contexts for high-temperature structural applications and as a potential thermal barrier coating or refractory component, where hafnium oxides are valued for exceptional melting points and chemical stability. The barium doping modifies thermal and mechanical properties relative to pure hafnium oxide systems, making it a candidate for extreme-environment engineering where conventional ceramics fail.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 6.684 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 3.077 | eV | DFT · OptB88vdW | ||
Electron Effective Mass(m*e) | 2.687 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 2.480 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000915 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000569 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -302.3 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 319.3 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.07990 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -3.100 | 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