CaAl2S4 is a ternary chalcogenide compound composed of calcium, aluminum, and sulfur, belonging to the sulfide ceramic family. This material is primarily of research and development interest for optoelectronic and photonic applications, particularly in the ultraviolet to infrared spectrum where sulfide materials offer wide bandgap properties and transparency windows unavailable in conventional oxides. While not yet widely commercialized, CaAl2S4 and related alkaline earth metal aluminides are investigated as potential hosts for rare-earth doping in phosphors, scintillators, and luminescent devices, as well as in semiconductor applications where sulfide-based materials can provide superior performance compared to oxide alternatives.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 2.416 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 3.437 | eV | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 5.435 | - | DFT · OptB88vdW | ||
Electron Effective Mass(m*e) | 0.8633 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.9800 | me | DFT · OptB88vdW · 27°C | ||
Thermoelectric Power Factor(PF)2 entries | 0.000780 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00103 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -159.9 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 234.4 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.595 | 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