Ca3BiP is a ternary ceramic compound composed of calcium, bismuth, and phosphorus, representing an emerging material in the family of mixed-metal phosphides. This is primarily a research-stage ceramic rather than an established engineering material, being investigated for its potential in thermoelectric and photovoltaic applications where bismuth-containing compounds offer advantages in bandgap engineering and charge carrier mobility.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 39.43 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2100 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 30.74 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.093 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.2740 | eV | DFT · OptB88vdW | ||
| ↳ | 0.8420 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 22.40 | - | DFT · OptB88vdW | ||
| ↳ | 11.93 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.06000 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.06000 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000612 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00132 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -98.17 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 124.6 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 27.27 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.8527 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.2140 | 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