KTaAg2Se4 is a ternary intermetallic compound combining potassium, tantalum, silver, and selenium—a selenide-based material with potential applications in solid-state electronics and thermoelectric devices. This is a research-phase compound rather than a commercial material; it belongs to an emerging family of complex metal chalcogenides being investigated for their electronic and phonon-transport properties. Engineers and materials scientists study such compounds primarily to understand structure-property relationships that could lead to improved thermoelectric conversion, ionic conductivity, or photonic applications.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 5.275 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.660 | eV | DFT · OptB88vdW | ||
| ↳ | 1.983 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 6.811 | - | DFT · OptB88vdW | ||
| ↳ | 6.115 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 2.973 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 2.247 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00124 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00145 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -297.5 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 320.8 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 23.37 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.6490 | 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