ScTlO3 is an experimental oxide semiconductor compound containing scandium and thallium. This material belongs to the perovskite or perovskite-related oxide family and is primarily of research interest rather than established industrial use. Potential applications span optoelectronics, photovoltaics, and high-temperature electronics, where the combination of scandium and thallium oxides may offer tunable bandgap or enhanced ionic conductivity compared to conventional oxides, though practical deployment remains limited pending further development of synthesis methods and performance validation.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 7.763 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)4 entries | 1.462 | eV | DFT · PBE | ||
| ↳ | 0.000 | eV | DFT · GLLB-SC | ||
| ↳ | 0.9790 | eV | DFT · OptB88vdW | ||
| ↳ | 1.892 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 7.314 | - | DFT · OptB88vdW | ||
| ↳ | 2.831 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.4967 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 2.913 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB)3 entries | 0.000 | μB | DFT | ||
| ↳ | -0.01695 | μB | DFT | ||
| ↳ | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000764 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000877 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -125.4 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 348.7 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 25.36 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.05200 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf)3 entries | -2.175 | eV/atom | DFT | ||
| ↳ | 1.760 | eV/atom | DFT | ||
| ↳ | -2.241 | 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