Ba2ErNbO6 is a double perovskite ceramic compound containing barium, erbium, and niobium oxides, belonging to the family of complex oxide ceramics studied for advanced functional applications. This material is primarily investigated in research contexts for potential use in high-temperature structural applications, dielectric devices, and photocatalytic systems, where its combination of chemical stability and ceramic rigidity offers advantages over simpler oxide alternatives. The double perovskite structure provides flexibility in tuning electronic and thermal properties, making it of interest to researchers developing next-generation ceramics for energy conversion and environmental remediation technologies.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 149.0 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2500 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 89.54 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 6.839 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 2.919 | eV | DFT · OptB88vdW | ||
| ↳ | 3.651 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 5.083 | - | DFT · OptB88vdW | ||
| ↳ | 4.293 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.5600 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.950 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00397 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00221 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -311.2 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 413.2 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 0.7200 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -3.334 | 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