Calcium titanate (CaTiO3) is a ceramic compound with perovskite crystal structure, classified as a semiconductor material. It is primarily used in electronic and photocatalytic applications, including dielectric substrates, photocatalysts for water splitting and environmental remediation, and ferroelectric device components. CaTiO3 is notable for its chemical stability, tunable bandgap through doping, and abundance of precursor materials, making it an attractive research-focused alternative to lead-based perovskites and other rare-earth ceramic semiconductors.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K)2 entries | 24,945.7 | ksi | DFT | ||
| ↳ | 27,030.7 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2600 | - | DFT · OptB88vdW | ||
Shear Modulus(G)2 entries | 14,665.6 | ksi | DFT | ||
| ↳ | 15,939.6 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1400 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)4 entries | 2.356 | eV | DFT · PBE | ||
| ↳ | 4.300 | eV | DFT · GLLB-SC | ||
| ↳ | 2.347 | eV | DFT · OptB88vdW | ||
| ↳ | 2.821 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 24.75 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 6.468 | - | DFT · OptB88vdW | ||
| ↳ | 7.562 | - | DFT · TBmBJ | ||
Magnetic Moment(μB)3 entries | 0.000 | μB | DFT | ||
| ↳ | -0.000159 | μB | DFT | ||
| ↳ | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00326 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000873 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -342.3 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 441 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 6.840 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.07410 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf)4 entries | -3.367 | eV/atom | DFT | ||
| ↳ | -0.1200 | eV/atom | DFT | ||
| ↳ | -3.345 | eV/atom | DFT · OptB88vdW | ||
| ↳ | -3.442 | eV/atom | Measured |
Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data