SbSeI is a layered ternary semiconductor compound combining antimony, selenium, and iodine elements. This material belongs to the family of mixed-halide chalcogenides and is primarily investigated in research settings for its potential in optoelectronic and photovoltaic applications, where its layered crystal structure enables strong light-matter interactions and potential for mechanical exfoliation into thin-film devices.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 20.50 | GPa | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 236.6 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3000 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 10.14 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 5.566 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)4 entries | 1.660 | eV | Measured | ||
| ↳ | 1.363 | eV | DFT · OptB88vdW | ||
| ↳ | 1.980 | eV | DFT · TBmBJ | ||
| ↳ | 1.930 | eV | DFT · HSE06 | ||
Dielectric Constant (Relative Permittivity)(εr) | 113.8 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 12.99 | - | DFT · OptB88vdW | ||
| ↳ | 9.881 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.6067 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.533 | 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 | 0.00213 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00190 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -180.5 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 352.8 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 23.43 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.3372 | 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