Calcium silicide (CaSi) is an intermetallic ceramic compound combining calcium and silicon, typically employed as a desulfurizer and deoxidizer in steelmaking and cast iron production. It is valued in metallurgical processing for removing unwanted sulfur and oxygen impurities, improving steel cleanliness and mechanical properties, and is also investigated for potential use in advanced ceramic composites and high-temperature structural applications due to its ceramic character.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K)3 entries | 53.27 | GPa | DFT | ||
| ↳ | 55.32 | GPa | DFT · OptB88vdW | ||
| ↳ | 53.27 | GPa | DFT · PBE | ||
Elastic Compliance Tensor(Sij) | Matrix (redacted) | 1/GPa | DFT · PBE | ||
Elastic Anisotropy(AU) | 0.1486 | - | DFT · PBE | ||
Elastic Stiffness Tensor(Cij) | Matrix (redacted) | Pa | DFT · PBE | ||
Exfoliation Energy(Eexf) | 345.6 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν)2 entries | 0.2100 | - | DFT · OptB88vdW | ||
| ↳ | 0.2131 | - | DFT · PBE | ||
Shear Modulus(G)3 entries | 37.79 | GPa | DFT | ||
| ↳ | 40.27 | GPa | DFT · OptB88vdW | ||
| ↳ | 37.79 | GPa | DFT · PBE |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 2.386 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.000 | eV | DFT · OptB88vdW | ||
| ↳ | 0.000 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 26.82 | - | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00116 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00114 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -10.62 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | -11.06 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf)2 entries | -0.6046 | eV/atom | DFT · OptB88vdW | ||
| ↳ | -0.7804 | 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