Ca3SiBr2 is an inorganic ceramic compound composed of calcium, silicon, and bromine—a layered halide perovskite-related structure that remains primarily in the research phase. This material belongs to the emerging family of halide-based ceramics being investigated for optoelectronic and solid-state device applications, where its layered crystal structure offers potential for exfoliation and tunable properties. While not yet established in mainstream industrial manufacturing, compounds in this class show promise for next-generation semiconductors, photovoltaic systems, and radiation detection where chemical flexibility and structural tunability provide advantages over conventional oxide ceramics.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 31.63 | GPa | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 179 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3100 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 17.68 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 2.787 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.1140 | eV | DFT · OptB88vdW | ||
| ↳ | 0.4730 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 12.40 | - | DFT · OptB88vdW | ||
| ↳ | 7.861 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.02667 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.02667 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00184 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000420 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -221.4 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 174.6 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 13.82 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.2190 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.146 | 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