Tl₃AsSe₃ is a ternary chalcogenide semiconductor compound combining thallium, arsenic, and selenium in a layered crystal structure. This material belongs to the family of narrow-bandgap semiconductors and is primarily investigated in research contexts for its potential in infrared optoelectronics and thermoelectric applications, where its composition offers tunable electronic and thermal properties distinct from binary semiconductor alternatives.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 22.31 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3600 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 6.790 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 7.367 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 1.300 | eV | Measured | ||
| ↳ | 0.6960 | eV | DFT · OptB88vdW | ||
| ↳ | 1.363 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 26.51 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 12.68 | - | DFT · OptB88vdW | ||
| ↳ | 8.070 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.2767 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 2.037 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.3460 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00102 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00232 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -138.1 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 380.2 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 33.93 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.3238 | 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