SrZrS3 is a ternary sulfide semiconductor compound combining strontium, zirconium, and sulfur elements. This is a research-phase material being investigated for optoelectronic and photovoltaic applications, particularly as an alternative absorber layer or window material in thin-film solar cells and light-emitting devices where its band gap and carrier transport properties may offer advantages over conventional semiconductors. The material belongs to the broader class of metal sulfide semiconductors, which are of growing interest in nextgen photovoltaic architectures and solid-state electronics due to their tunable electronic properties and potential for earth-abundant alternatives to lead halide perovskites.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K)2 entries | 69.65 | GPa | DFT | ||
| ↳ | 74.38 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2800 | - | DFT · OptB88vdW | ||
Shear Modulus(G)2 entries | 35.92 | GPa | DFT | ||
| ↳ | 39.15 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.859 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 1.243 | eV | DFT · OptB88vdW | ||
| ↳ | 1.677 | eV | DFT · TBmBJ | ||
| ↳ | 0.8000 | eV | Measured | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 9.703 | - | DFT · OptB88vdW | ||
| ↳ | 6.679 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.3567 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.8067 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00381 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00137 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -247.9 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 250.2 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 29.61 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.987 | 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