BaPr2ZnS5 is a quaternary sulfide ceramic compound combining barium, praseodymium, zinc, and sulfur. This is a research-phase material belonging to the rare-earth sulfide family, studied for potential optoelectronic and photonic applications where sulfide ceramics offer wide bandgaps and unique light-interaction properties. The inclusion of praseodymium (a lanthanide) suggests investigation into luminescence, optical activity, or rare-earth-doped ceramic functionality, making it relevant to specialized photonic device development rather than conventional structural or thermal applications.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 9,443.4 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2700 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 5,124.2 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1795 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.247 | eV | DFT · OptB88vdW | ||
| ↳ | 1.958 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 7.480 | - | DFT · OptB88vdW | ||
| ↳ | 6.232 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.6833 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.7700 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00102 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00118 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -133.7 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 204.5 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 23.90 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.959 | 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