ZnIn2S4 is a ternary semiconductor compound belonging to the I–III–VI family, combining zinc, indium, and sulfur in a fixed stoichiometric ratio. This material is primarily investigated in photocatalysis and optoelectronic device research, where its tunable bandgap and layered crystal structure make it attractive for photodegradation of pollutants, photovoltaic applications, and light-emission devices. While not yet widely commercialized at industrial scale, ZnIn2S4 represents a promising alternative to more common semiconductors in applications where cost, toxicity, or performance trade-offs with lead-based or cadmium-based compounds need to be optimized.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 70.83 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3200 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 31.34 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.565 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 2.680 | eV | Measured | ||
| ↳ | 1.153 | eV | DFT · OptB88vdW | ||
| ↳ | 2.527 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 51.82 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 3.274 | - | DFT · TBmBJ | ||
| ↳ | 7.907 | - | DFT · OptB88vdW | ||
Electron Effective Mass(m*e) | 0.1300 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 2.140 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.1854 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000500 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00181 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -66.50 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 416.8 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 12.09 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.6923 | 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