LiYSe₂ is an inorganic ceramic compound composed of lithium, yttrium, and selenium, belonging to the family of rare-earth selenide ceramics. This material is primarily of research and development interest rather than established in high-volume production, with potential applications in solid-state ionic conductors, thermal management systems, and advanced optical or electronic devices that exploit the properties of rare-earth ceramics. The combination of lithium as an alkali metal and yttrium as a rare earth element suggests applications in next-generation energy storage, solid electrolytes, or specialized optoelectronic systems where chemical stability and thermal properties are critical.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 6,644.2 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2500 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 4,065.4 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1660 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 1.599 | eV | DFT · OptB88vdW | ||
Dielectric Constant (Relative Permittivity)(εr)3 entries | 19.99 | - | DFT · OptB88vdW | ||
| ↳ | 24.30 | - | DFT · PBE | ||
| ↳ | 12.97 range 7.280–18.65median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 7.295 | - | DFT · OptB88vdW | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.5200 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.290 | 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 | 0.00291 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00185 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -234.1 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 247.6 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.810 | 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