TlBiS2 is a ternary chalcogenide ceramic compound composed of thallium, bismuth, and sulfur, belonging to the family of mixed-metal sulfides with potential semiconductor or thermoelectric properties. This material is primarily investigated in research contexts for solid-state electronics and energy conversion applications, where bismuth chalcogenides are known for favorable electronic properties. TlBiS2 represents an emerging composition within the broader family of heavy-metal chalcogenides being explored as alternatives to traditional semiconductors in specialized thermal and electrical applications.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 36.86 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.4300 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 14.09 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 7.212 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.4890 | eV | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 15.35 | - | DFT · OptB88vdW | ||
Electron Effective Mass(m*e) | 0.1967 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.2733 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00178 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00217 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -133.1 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 183.7 | 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) | -0.5051 | 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