AgBiSCl2 is a layered ternary halide compound combining silver, bismuth, sulfur, and chlorine—an emerging material in the family of mixed-anion semiconductors and layered heterostructures. This is primarily a research compound being investigated for optoelectronic and photonic applications, particularly where the layered crystal structure and tunable bandgap of bismuth-based compounds offer advantages in light emission, detection, or energy conversion devices. Its anisotropic structure and exfoliable nature position it as a candidate for two-dimensional material engineering and device integration in next-generation electronics.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 48.68 | GPa | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 241.1 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3300 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 17.99 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 5.733 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.093 | eV | DFT · OptB88vdW | ||
| ↳ | 1.573 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 69.55 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 7.779 | - | DFT · OptB88vdW | ||
| ↳ | 6.572 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.9000 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.630 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00113 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00166 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -118 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 303.5 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 31.29 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.6681 | 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