Ca₃AsP is an experimental ceramic compound belonging to the family of mixed-anion materials that combine calcium with arsenic and phosphorus. This material is primarily of research interest for semiconductor and photovoltaic applications, where the combination of these elements creates unique electronic and optical properties not easily achieved in conventional binary compounds. Ca₃AsP and related mixed-anion ceramics are being investigated for potential use in next-generation optoelectronic devices, though the material remains largely in the laboratory stage rather than established industrial production.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 38.27 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2400 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 29.02 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 2.400 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.3580 | eV | DFT · OptB88vdW | ||
| ↳ | 1.051 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 18.11 | - | DFT · OptB88vdW | ||
| ↳ | 9.895 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.1400 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.2400 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000306 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00151 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -66.48 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 154.1 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 32.27 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.4076 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.7359 | 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