CaSm2S4 is a ternary sulfide semiconductor compound combining calcium and samarium in a chalcogenide matrix, representing an emerging materials class for optoelectronic and photonic device research. While not yet widely commercialized, this material belongs to the rare-earth sulfide family that shows promise for infrared optics, photovoltaic applications, and solid-state lighting due to the unique electronic and optical properties imparted by samarium incorporation. Engineers investigating next-generation semiconductor materials for niche high-performance applications—particularly where rare-earth doping offers advantages in emission wavelength tuning or carrier dynamics—would evaluate this compound against more established alternatives like CdTe or lead halide perovskites.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 10,882.2 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2600 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 6,233.7 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1849 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 2.050 | eV | Measured | ||
| ↳ | 2.108 | eV | DFT · OptB88vdW | ||
| ↳ | 2.918 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 21.02 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 8.125 | - | DFT · OptB88vdW | ||
| ↳ | 6.923 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.5333 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.610 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.1635 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00123 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00211 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -193.8 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 340.9 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 5.620 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.281 | 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