In₂HgSe₄ is a quaternary semiconductor compound belonging to the chalcogenide family, combining indium, mercury, and selenium in a specific stoichiometric ratio. This is a research-phase material studied for its electronic and optoelectronic properties, with potential applications in infrared detection and photovoltaic systems where wide bandgap semiconductors offer advantages over traditional binary or ternary compounds. The material's notable feature is its ability to operate in the infrared spectrum, making it potentially valuable for specialized detection and sensing applications where conventional semiconductors are limited.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 30.56 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2900 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 16.15 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 6.025 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 0.6000 | eV | Measured | ||
| ↳ | 0.5160 | eV | DFT · OptB88vdW | ||
| ↳ | 1.639 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 19.56 | - | DFT · OptB88vdW | ||
| ↳ | 14.81 range 12.41–17.22median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 11.57 | - | DFT · OptB88vdW | ||
| ↳ | 6.995 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.1067 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.6800 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij)2 entries | 0.6385 | C/m² | DFT · OptB88vdW | ||
| ↳ | 0.09611 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE | ||
Thermoelectric Power Factor(PF)2 entries | 0.000214 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00241 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -41.40 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 283.3 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 30.38 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.3951 | 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