AuBr is an intermetallic compound combining gold and bromine, representing a rare metal-halide material with potential applications in advanced materials research. This compound belongs to an experimental class of materials being investigated for layered or two-dimensional structural properties, as evidenced by its measurable exfoliation energy. While not yet established in mainstream industrial production, AuBr and related gold-halide compounds are of interest to researchers exploring novel electronic, catalytic, or structural properties that differ fundamentally from conventional metallic alloys.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 19.60 | GPa | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 84.63 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.4500 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 3.340 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 7.987 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.504 | eV | DFT · OptB88vdW | ||
| ↳ | 2.646 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 7.849 | - | DFT · OptB88vdW | ||
| ↳ | 5.370 | - | DFT · PBE | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 6.981 | - | DFT · OptB88vdW | ||
| ↳ | 4.977 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.5167 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 2.630 | 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 | 0.00109 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00360 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -151.4 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 299.9 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 9.850 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.01860 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf)2 entries | -0.06992 | eV/atom | DFT · OptB88vdW | ||
| ↳ | -0.07359 | eV/atom | Measured |
Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data