TaTlO3 is a mixed-metal oxide semiconductor compound combining tantalum and thallium—a rare composition that remains primarily in research and development rather than established production. This material belongs to the complex oxide family and is investigated for potential applications in photonic and electronic devices where its specific electronic band structure and optical properties may offer advantages over more conventional semiconductors. While not yet mature for widespread industrial deployment, tantalum-thallium oxides are of interest to researchers exploring next-generation optoelectronic materials and solid-state physics applications.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 28,576.8 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2600 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 16,432.8 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.3357 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)4 entries | 2.480 | eV | DFT · PBE | ||
| ↳ | 0.000 | eV | DFT · GLLB-SC | ||
| ↳ | 0.4820 | eV | DFT · OptB88vdW | ||
| ↳ | 1.029 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 7.882 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 7.028 | - | DFT · OptB88vdW | ||
| ↳ | 3.443 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.3033 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.7700 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB)3 entries | 0.000 | μB | DFT | ||
| ↳ | -0.2462 | μB | DFT | ||
| ↳ | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000651 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00299 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -95.40 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 394.8 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 31.84 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf)3 entries | -2.274 | eV/atom | DFT | ||
| ↳ | 1.640 | eV/atom | DFT | ||
| ↳ | -2.454 | 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