BiSeI is a layered semiconductor compound composed of bismuth, selenium, and iodine, belonging to the family of mixed-halide chalcogenides. This material is primarily of research and developmental interest for next-generation optoelectronic and photovoltaic applications, where its layered structure and tunable band gap make it a candidate for thin-film solar cells, photodetectors, and two-dimensional device platforms. BiSeI and related compounds are being investigated as alternatives to conventional semiconductors in applications where controlled exfoliation and anisotropic electronic properties are advantageous, though widespread industrial adoption remains limited compared to mature semiconductor technologies.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 20.30 | GPa | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 217.5 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3200 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 9.180 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 6.828 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)4 entries | 1.280 | eV | Measured | ||
| ↳ | 1.320 | eV | Measured | ||
| ↳ | 1.529 | eV | DFT · OptB88vdW | ||
| ↳ | 2.224 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 66.86 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 12.17 | - | DFT · OptB88vdW | ||
| ↳ | 9.155 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.5167 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.467 | 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 | 0.00233 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00172 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -196.1 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 327.9 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 18.19 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.4354 | 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