CaPr2S4 is a ternary chalcogenide semiconductor compound composed of calcium, praseodymium, and sulfur, belonging to the rare-earth sulfide family of materials. This is a research-phase compound investigated for potential optoelectronic and photonic applications, with the rare-earth praseodymium component offering unique optical and electronic properties distinct from more common binary or ternary semiconductors. The material remains largely experimental but represents broader interest in rare-earth chalcogenides for next-generation devices requiring specialized bandgap tuning or luminescent behavior.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1693 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 2.074 | eV | DFT · OptB88vdW | ||
| ↳ | 2.750 | eV | DFT · TBmBJ | ||
| ↳ | 2.900 | eV | Measured | ||
Dielectric Constant (Relative Permittivity)(εr) | 22.00 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 8.077 | - | DFT · OptB88vdW | ||
| ↳ | 7.007 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.5633 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.140 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.1606 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00116 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00216 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -189.1 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 338 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 7.940 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.00520 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.275 | 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