NaAsS₂ is a ternary semiconductor compound combining sodium, arsenic, and sulfur in a layered crystal structure. This material belongs to the family of metal chalcogenide semiconductors and remains primarily in research and development phase, with limited commercial deployment. It is of interest in optoelectronic and photovoltaic applications due to its direct bandgap characteristics and potential for thin-film device fabrication, though it faces challenges related to arsenic toxicity and material stability compared to more widely adopted III-V or II-VI semiconductors.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 22.99 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2900 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 12.39 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 2.891 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 1.271 | eV | DFT · OptB88vdW | ||
| ↳ | 2.097 | eV | DFT · TBmBJ | ||
| ↳ | 2.230 | eV | Measured | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 7.592 | - | DFT · OptB88vdW | ||
| ↳ | 5.398 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 1.507 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.437 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00216 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000862 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -195.3 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 317.6 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 20.89 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.6887 | 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