Ba2BiBr is an inorganic ceramic compound composed of barium, bismuth, and bromine, belonging to the halide perovskite family of materials. This is a research-stage compound under investigation for optoelectronic and photovoltaic applications, where bismuth-based halide perovskites are being explored as lead-free alternatives to conventional lead halide perovskites due to their potential for reduced toxicity. The material's notable advantage lies in its environmental and health profile compared to lead-based semiconductors, making it relevant for next-generation solar cells, photodetectors, and light-emitting devices, though it is not yet established in high-volume commercial production.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 4,423.7 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3400 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 2,236.5 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.2239 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.9390 | eV | DFT · OptB88vdW | ||
| ↳ | 1.287 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 30.93 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 9.842 | - | DFT · OptB88vdW | ||
| ↳ | 8.949 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.4300 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.330 | 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 | 0.00228 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00293 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -198.1 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 413.1 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 33.26 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.02010 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.483 | 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