GaAgP₂Se₆ is a quaternary semiconducting compound combining gallium, silver, phosphorus, and selenium elements, belonging to the class of mixed-metal chalcogenides. This material is primarily of research interest rather than established industrial production, studied for its potential in layered crystal structures and optoelectronic applications where the combination of metallic and chalcogenide components offers tunable electronic and optical properties.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 34.28 | GPa | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 74.45 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2900 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 17.39 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.919 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.3620 | eV | DFT · OptB88vdW | ||
| ↳ | 1.394 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 22.55 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 11.57 | - | DFT · OptB88vdW | ||
| ↳ | 7.425 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.05333 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.07667 | 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 | 0.000429 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00124 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -75.04 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 358.9 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 33.77 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.00340 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.1837 | 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