Cu2HgGeSe4 is a quaternary chalcogenide compound combining copper, mercury, germanium, and selenium in a fixed stoichiometric ratio. This is an experimental semiconductor material primarily of interest in materials research rather than established industrial production, belonging to the family of multinary chalcogenides that exhibit tunable electronic and optical properties. The compound is investigated for potential applications in thermoelectric energy conversion and photovoltaic devices, where its mixed-metal composition and selenium content may offer advantages in band gap engineering and charge carrier mobility compared to simpler binary or ternary semiconductors.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 57.37 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3400 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 22.46 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 6.195 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 0.000 | eV | DFT · OptB88vdW | ||
| ↳ | 0.2350 | eV | DFT · TBmBJ | ||
| ↳ | 0.000 | eV | Measured | ||
Dielectric Constant (Relative Permittivity)(εr) | 869.5 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 26.16 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 4.201 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00100 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000158 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -90.09 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 48.87 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 5.840 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.01260 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.1903 | 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