IrBr3 is an iridium tribromide ceramic compound belonging to the halide perovskite family, characterized by layered crystal structure with potential for exfoliation into two-dimensional sheets. This material is primarily of research interest rather than established in industrial production, with potential applications in advanced optoelectronics, catalysis, and solid-state physics where the combination of high atomic mass (iridium) and halide bonding offers unique electronic and photonic properties. Engineers considering this material should recognize it as an emerging compound suitable for prototype development and fundamental studies, rather than a mature engineering material for production-scale applications.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 29.61 | GPa | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 81.29 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2900 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 15.13 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 6.704 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.423 | eV | DFT · OptB88vdW | ||
| ↳ | 1.704 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 7.447 | - | DFT · OptB88vdW | ||
| ↳ | 5.500 | - | DFT · PBE | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 7.170 | - | DFT · OptB88vdW | ||
| ↳ | 6.581 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 1.903 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.923 | 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 | 0.00132 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00112 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -362.1 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 372.1 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 29.12 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.2952 | 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