RbHgF3 is a fluoride-based ceramic compound combining rubidium, mercury, and fluorine into a perovskite-like crystal structure. This is a research material studied primarily in solid-state chemistry and materials science; it is not widely deployed in commercial engineering applications. The compound is of academic interest for understanding halide perovskite properties and their potential in emerging technologies such as photovoltaic devices, ion conductors, or optical materials, though practical applications remain largely experimental due to mercury's toxicity and volatility concerns.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K)2 entries | 51.34 | GPa | DFT | ||
| ↳ | 56.17 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3800 | - | DFT · OptB88vdW | ||
Shear Modulus(G)2 entries | 15.01 | GPa | DFT | ||
| ↳ | 17.68 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 5.915 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.5460 | eV | DFT · OptB88vdW | ||
| ↳ | 2.977 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 64.40 | - | DFT · OptB88vdW | ||
| ↳ | 77.88 | - | DFT · PBE | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 3.091 | - | DFT · OptB88vdW | ||
| ↳ | 2.089 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.3400 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.9900 | 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 | 0.000668 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00334 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -96.24 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 343 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 4.920 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.021 | 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