Ca₃AsBr₃ is a halide perovskite ceramic compound containing calcium, arsenic, and bromine in a mixed-anion structure, representing an emerging class of inorganic materials studied primarily in academic and research settings rather than established commercial production. This material family is being investigated for potential applications in optoelectronic devices, solid-state lighting, and radiation detection due to the tunable electronic properties characteristic of halide perovskites, though Ca₃AsBr₃ specifically remains largely in the exploratory phase with limited industrial adoption compared to more established perovskite variants.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 5,579.6 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2300 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 3,930.5 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1271 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.565 | eV | DFT · OptB88vdW | ||
| ↳ | 2.176 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)3 entries | 10.70 | - | DFT · OptB88vdW | ||
| ↳ | 11.42 | - | DFT · PBE | ||
| ↳ | 8.149 range 5.288–11.01median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 5.517 | - | DFT · OptB88vdW | ||
| ↳ | 4.501 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.6400 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.5600 | 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 | 0.00260 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00190 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -231.2 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 209.6 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 19.17 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.907 | 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