ScTlSe2 is a ternary semiconductor compound combining scandium, thallium, and selenium in a layered chalcogenide structure. This material belongs to the family of mixed-metal selenides and is primarily of research interest for exploring novel electronic and optical properties in quantum materials rather than established commercial applications. The combination of heavy elements (Tl, Se) with early transition metals (Sc) positions it as a candidate for investigating topological behavior, nonlinear optical effects, or narrow-bandgap semiconductor applications in specialized photonic and optoelectronic devices.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 40.95 | GPa | DFT | ||
Shear Modulus(G) | 24.58 | GPa | DFT |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 6.483 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.7900 | eV | Measured | ||
| ↳ | 0.6170 | eV | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 10.49 | - | DFT · OptB88vdW | ||
Electron Effective Mass(m*e) | 2.320 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.4000 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00262 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000738 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -351.5 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 99.61 | 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) | -1.325 | 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