HgIBr is a mixed-halide perovskite ceramic compound containing mercury, iodine, and bromine. This material belongs to the family of halide perovskites, which are primarily investigated as research compounds rather than established industrial materials, with potential applications in optoelectronic and photonic devices due to their tunable bandgap and crystalline structure.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 11.46 | GPa | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 93.92 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3100 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 5.570 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 6.173 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.889 | eV | DFT · OptB88vdW | ||
| ↳ | 2.936 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 20.56 | - | DFT · OptB88vdW | ||
| ↳ | 10.78 | - | DFT · PBE | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 5.810 | - | DFT · OptB88vdW | ||
| ↳ | 4.598 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.3700 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 2.943 | me | DFT · OptB88vdW · 27°C | ||
Piezoelectric Modulus(eij) | 0.1216 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00128 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00183 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -152.9 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 417.3 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 5.440 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.02350 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.2399 | 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