Ba3CaI8 is an inorganic ceramic compound composed of barium, calcium, and iodine—a mixed-halide perovskite-related material in the early stages of research and development. This compound belongs to the family of halide materials being explored for optoelectronic and photonic applications, where it may offer advantages in light emission, detection, or energy conversion compared to traditional semiconductors. As an experimental material, Ba3CaI8 is primarily of interest to researchers investigating next-generation scintillators, radiation detectors, or solid-state lighting materials where halide ceramics can provide tunable bandgaps and high atomic numbers for radiation stopping power.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.512 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 2.955 | eV | DFT · OptB88vdW | ||
| ↳ | 4.043 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 2.608 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.5967 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.7300 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000843 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00276 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -144 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 290.6 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 0.01000 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.07990 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.775 | 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