CaTlF₃ is a halide ceramic compound belonging to the fluorite family, combining calcium and thallium fluoride in a structured crystal lattice. This material is primarily of research interest rather than established industrial production, studied for its optical and electronic properties in specialized applications such as scintillation detectors, laser hosts, and radiation detection systems. The thallium-containing fluoride matrix offers potential advantages in high-energy physics research and medical imaging, though its toxicity and scarcity limit widespread commercial adoption compared to more conventional fluoride ceramics like CaF₂.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 50.06 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3000 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 25.63 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 5.568 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 4.596 | eV | DFT · OptB88vdW | ||
| ↳ | 5.723 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 94.12 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 3.097 | - | DFT · OptB88vdW | ||
| ↳ | 2.532 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.4267 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 2.577 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.06016 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00209 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00172 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -188 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 438.5 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 0.000 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.02700 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -3.214 | 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