RbTaO3 is a perovskite semiconductor compound composed of rubidium, tantalum, and oxygen, belonging to the family of complex metal oxides with potential ferroelectric and photocatalytic properties. While primarily a research material rather than a widely commercialized compound, it is investigated for applications in photocatalysis, ferroelectric devices, and optoelectronic systems where its semiconductor band structure and crystal symmetry offer advantages over simpler oxide alternatives. The perovskite family is of significant interest in materials science for tunable electronic and optical properties, making RbTaO3 relevant for engineers exploring next-generation functional ceramics and solid-state devices.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 19,246.5 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3600 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 9,740.7 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.2796 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)4 entries | 2.228 | eV | DFT · PBE | ||
| ↳ | 4.300 | eV | DFT · GLLB-SC | ||
| ↳ | 2.391 | eV | DFT · OptB88vdW | ||
| ↳ | 3.351 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 90.83 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 5.495 | - | DFT · OptB88vdW | ||
| ↳ | 4.655 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.7400 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.730 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB)3 entries | 0.000 | μB | DFT | ||
| ↳ | -0.000338 | μB | DFT | ||
| ↳ | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij)2 entries | 0.1757 | C/m² | DFT · OptB88vdW | ||
| ↳ | 8.926 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE | ||
Thermoelectric Power Factor(PF)2 entries | 0.00375 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00237 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -292.7 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 425.3 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 1.980 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf)3 entries | -2.824 | eV/atom | DFT | ||
| ↳ | -0.5800 | eV/atom | DFT | ||
| ↳ | -2.836 | 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