NaYS₂ is an inorganic ceramic compound belonging to the rare-earth sulfide family, combining sodium, yttrium, and sulfur into a crystalline structure. This material is primarily of research and developmental interest for optical and electronic applications where rare-earth ceramics offer unique luminescent or semiconductive properties. While not yet widely commercialized, sodium yttrium sulfides represent the broader family of rare-earth sulfide ceramics being investigated for next-generation photonic devices, scintillators, and solid-state lighting systems.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 50.54 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2300 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 34.17 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.241 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 2.326 | eV | DFT · OptB88vdW | ||
| ↳ | 3.102 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)3 entries | 15.20 | - | DFT · OptB88vdW | ||
| ↳ | 14.12 | - | DFT · PBE | ||
| ↳ | 9.411 range 5.436–13.38median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 5.783 | - | DFT · OptB88vdW | ||
| ↳ | 4.968 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.6567 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.487 | 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 | 0.00289 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00209 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -259.4 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 333.9 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 3.460 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000800 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.038 | 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