SiCu2S3 is a ternary intermetallic compound combining silicon, copper, and sulfur elements, belonging to the metal sulfide family. This material is primarily investigated in research contexts for thermoelectric and semiconductor applications, where the combination of metallic and chalcogenide properties offers potential for energy conversion and electronic devices. Its use remains largely experimental, with interest driven by its electronic structure and potential as an alternative to conventional thermoelectric materials in applications requiring cost-effective or earth-abundant compositions.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.878 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.213 | eV | DFT · OptB88vdW | ||
| ↳ | 1.829 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 12.03 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 8.918 | - | DFT · OptB88vdW | ||
| ↳ | 6.734 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.2700 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.970 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij)2 entries | 0.7182 | C/m² | DFT · OptB88vdW | ||
| ↳ | 0.1430 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE | ||
Thermoelectric Power Factor(PF)2 entries | 0.000877 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00202 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -117.4 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 356.5 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 26.72 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.00540 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.4999 | 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