Y3CuGeS7 is a ternary sulfide compound combining yttrium, copper, and germanium, classified as an intermetallic or chalcogenide material. This is a research-phase compound rather than a widely commercialized engineering material; it belongs to a family of complex sulfides being explored for thermoelectric, optoelectronic, and solid-state energy conversion applications where rare-earth-containing phases offer tunable electronic properties. Engineers would investigate this material primarily in laboratory and prototype settings where its unique crystal structure and electronic characteristics could address niche requirements in next-generation energy harvesting or semiconductor device development.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 71.03 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2900 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 36.74 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.258 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.722 | eV | DFT · OptB88vdW | ||
| ↳ | 2.294 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 18.25 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 8.513 | - | DFT · OptB88vdW | ||
| ↳ | 7.879 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.6900 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.437 | me | DFT · OptB88vdW · 27°C | ||
Piezoelectric Modulus(eij) | 0.1794 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00136 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000926 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -201.4 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 264.8 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 16.71 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.597 | 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