KCaCO3F is a fluorine-substituted potassium calcium carbonate ceramic compound with a mixed-cation structure. This material belongs to the family of fluorinated carbonates and mixed-alkali earth ceramics, primarily investigated in research contexts for optical, structural, and potentially biocompatible applications. The fluorine incorporation in a calcium carbonate matrix suggests potential use in specialized optical windows, thermal barrier coatings, or bioactive ceramic scaffolds where chemical stability and tunable properties are advantageous.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 58.91 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2800 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 31.75 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 2.604 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 4.472 | eV | DFT · OptB88vdW | ||
Dielectric Constant (Relative Permittivity)(εr) | 5.460 range 2.458–8.463median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 2.583 | - | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.3377 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.00430 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.587 | 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