Ca2SnS4 is a quaternary semiconductor compound belonging to the thiostannate family, combining alkaline-earth (calcium) and post-transition (tin) elements with sulfur. This material is primarily of research interest for photovoltaic and optoelectronic applications, where it is being investigated as an absorber layer or buffer material in thin-film solar cells and light-emitting devices. Compared to widely-used alternatives like CdTe or CIGS, Ca2SnS4 offers potential advantages including earth-abundant constituent elements and reduced toxicity concerns, though it remains in the development phase with limited commercial deployment; its viability depends on achieving reproducible synthesis and optimizing defect control for competitive device performance.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 6,634 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2400 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 4,265.6 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1112 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 2.320 | eV | Measured | ||
| ↳ | 0.7300 | eV | DFT · OptB88vdW | ||
| ↳ | 1.736 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 15.93 | - | DFT · OptB88vdW | ||
| ↳ | 9.000 | - | DFT · PBE | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 7.820 | - | DFT · OptB88vdW | ||
| ↳ | 6.035 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.4033 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.847 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000699 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00200 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -95.73 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 372.1 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 28.65 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.02820 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.522 | 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