TlN₃ is an experimental nitride compound containing thallium, belonging to the wider family of metal nitrides being investigated for advanced semiconductor and refractory applications. This material remains primarily in research phase rather than established industrial production, with interest centered on its potential as a wide-bandgap semiconductor or hard coating material. The thallium nitride family is explored for high-temperature electronics, optoelectronics, and wear-resistant applications where conventional semiconductors reach thermal limits, though toxicity concerns and processing challenges have limited commercial deployment compared to more mature alternatives like gallium nitride or titanium nitride.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 4,049.5 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3400 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 1,506.9 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.2095 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 3.580 | eV | Measured | ||
| ↳ | 1.849 | eV | DFT · OptB88vdW | ||
| ↳ | 2.414 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 21.15 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 5.567 | - | DFT · OptB88vdW | ||
| ↳ | 4.513 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.5400 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.6133 | 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 | 0.00181 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000893 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -194.1 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 142.2 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 14.31 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.3211 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | 0.3094 | 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