NaBiS₂ is a ternary semiconductor compound combining sodium, bismuth, and sulfur in a layered crystal structure. This material remains largely in the research phase, studied primarily for optoelectronic and photovoltaic applications where its direct bandgap and layered morphology offer potential advantages for light absorption and charge transport. While not yet commercialized at scale, NaBiS₂ belongs to a family of bismuth chalcogenides attracting attention as lead-free alternatives for thin-film solar cells and photodetectors, motivated by bismuth's lower toxicity compared to conventional lead-based semiconductors.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 4,853 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2000 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 3,714.4 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1854 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 0.3800 | eV | Measured | ||
| ↳ | 1.667 | eV | DFT · OptB88vdW | ||
| ↳ | 2.339 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 79.21 range 16.15–142.3median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 10.12 | - | DFT · OptB88vdW | ||
| ↳ | 7.534 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 8.682 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 15.82 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.03360 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.8414 | 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