Ca₂Si is an intermetallic compound and semiconductor material belonging to the silicide family, composed of calcium and silicon in a 2:1 stoichiometric ratio. This material is primarily of research interest in materials science and solid-state physics, where it is investigated for potential applications in thermoelectric devices, optoelectronic components, and advanced semiconductor technologies. Ca₂Si represents an emerging class of alkaline-earth silicides that could offer advantages in niche applications requiring specific band-gap properties or thermal-mechanical characteristics, though industrial adoption remains limited compared to conventional silicon-based semiconductors.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K)3 entries | 5,324.4 | ksi | DFT | ||
| ↳ | 5,744.9 | ksi | DFT · OptB88vdW | ||
| ↳ | 5,324.4 | ksi | DFT · PBE | ||
Elastic Compliance Tensor(Sij) | Matrix (redacted) | 1/GPa | DFT · PBE | ||
Elastic Anisotropy(AU) | 0.3229 | - | DFT · PBE | ||
Elastic Stiffness Tensor(Cij) | Matrix (redacted) | ksi | DFT · PBE | ||
Poisson's Ratio(ν)2 entries | 0.2500 | - | DFT · OptB88vdW | ||
| ↳ | 0.2508 | - | DFT · PBE | ||
Shear Modulus(G)3 entries | 3,182.6 | ksi | DFT | ||
| ↳ | 3,424.3 | ksi | DFT · OptB88vdW | ||
| ↳ | 3,182.6 | ksi | DFT · PBE |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.07966 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 1.900 | eV | Measured | ||
| ↳ | 0.2890 | eV | DFT · OptB88vdW | ||
| ↳ | 0.5250 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)3 entries | 19.83 | - | DFT · OptB88vdW | ||
| ↳ | 29.42 | - | DFT · PBE | ||
| ↳ | 18.00 range 14.03–21.96median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 17.09 | - | DFT · OptB88vdW | ||
| ↳ | 13.64 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.06333 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.06333 | 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 | 0.00155 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00108 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -162.3 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 185.6 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 16.47 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.5523 | 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