BaCa2I6 is an inorganic ceramic compound composed of barium, calcium, and iodine, belonging to the halide perovskite family of materials. This is primarily a research-phase material investigated for its potential in optoelectronic and photovoltaic applications, where its crystalline halide structure offers tunable bandgap properties and ionic conductivity characteristics typical of advanced ceramic halides. While not yet widely deployed in mainstream engineering applications, materials in this family are of interest as alternatives to lead-based perovskites for solar cells, radiation detectors, and solid-state ionic devices.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 2,867.4 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3500 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 1,026.9 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1544 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 3.762 | eV | DFT · OptB88vdW | ||
| ↳ | 4.619 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 12.40 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 3.970 | - | DFT · OptB88vdW | ||
| ↳ | 3.513 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 0.000 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.07930 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.699 | 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