BaAg₂GeS₄ is a quaternary chalcogenide compound containing barium, silver, germanium, and sulfur, representing a specialized class of materials studied for optoelectronic and nonlinear optical applications. This compound belongs to the family of metal sulfides and is primarily of research interest rather than established industrial production, with potential applications in infrared photonics, second-harmonic generation, and semiconductor device development. Engineers and researchers consider such materials when conventional alternatives (silicon, gallium arsenide, or common oxides) cannot meet requirements for specific wavelength ranges, phase-matching conditions, or nonlinear optical efficiency in demanding photonic systems.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 54.26 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3500 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 18.27 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.819 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.5740 | eV | DFT · OptB88vdW | ||
| ↳ | 1.819 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 11.95 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 7.374 | - | DFT · OptB88vdW | ||
| ↳ | 5.678 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.2100 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.5267 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij)2 entries | 0.3852 | C/m² | DFT · OptB88vdW | ||
| ↳ | 0.02920 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE | ||
Thermoelectric Power Factor(PF)2 entries | 0.000384 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000785 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -64.03 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 133.8 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 26.96 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.8522 | 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