Tl3BSe3 is a thallium-based chalcogenide ceramic compound belonging to the family of mixed-metal selenides, which are primarily of research and emerging-technology interest rather than established commercial materials. This material family is investigated for potential applications in infrared optics, thermoelectric devices, and solid-state radiation detection, where the heavy-metal composition and selenide chemistry offer tunable bandgaps and phonon properties. While not yet widely deployed in mainstream engineering, thallium chalcogenides represent an active area of materials research for specialized photonic and energy-conversion applications where conventional ceramics or semiconductors fall short.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 2,899.3 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3600 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 990.6 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.2623 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.039 | eV | DFT · OptB88vdW | ||
| ↳ | 1.583 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 10.16 | - | DFT · OptB88vdW | ||
| ↳ | 7.633 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.8667 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.8333 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00247 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00205 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -176.3 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 231.5 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 31.09 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.3272 | 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