CuBiSCl2 is a ternary copper-bismuth sulfide chloride compound representing an emerging class of mixed-halide and chalcogenide materials. This is primarily a research-phase compound studied for its potential in semiconducting and optoelectronic applications, rather than an established industrial material; its position at the intersection of copper chalcogenides and bismuth-containing compounds suggests investigation for photovoltaic devices, photocatalysis, or solid-state electronics where copper and bismuth synergize to tune electronic properties.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 7,714.6 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3100 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 3,328.6 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.2038 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.7310 | eV | DFT · OptB88vdW | ||
Dielectric Constant (Relative Permittivity)(εr) | 84.99 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 9.296 | - | DFT · OptB88vdW | ||
Electron Effective Mass(m*e) | 1.003 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 2.070 | me | DFT · OptB88vdW · 27°C | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00136 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00164 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -139.1 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 354.5 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 19.87 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.6639 | 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