NbTlO3 is a mixed-metal oxide semiconductor compound combining niobium and thallium in an ionic ceramic structure. This is primarily a research material of interest in functional ceramics and photonic applications, rather than a high-volume industrial material. The compound belongs to the family of complex oxide perovskites or related structures, investigated for potential use in optoelectronic devices, ferroelectric applications, or as a photocatalyst due to the electronic properties contributed by both the niobium and thallium cations.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 26,291 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2700 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 14,608.2 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.3002 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 0.3670 | eV | DFT · OptB88vdW | ||
| ↳ | 0.2930 | eV | DFT · PBE | ||
| ↳ | 0.000 | eV | DFT · GLLB-SC | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 9.120 | - | DFT · OptB88vdW | ||
Electron Effective Mass(m*e) | 0.01000 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.01000 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB)3 entries | 0.000 | μB | DFT | ||
| ↳ | -0.00442 | μB | DFT | ||
| ↳ | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00496 | 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 | -286.6 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 212.7 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.00610 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf)3 entries | -1.642 | eV/atom | DFT | ||
| ↳ | 1.340 | eV/atom | DFT | ||
| ↳ | -2.157 | 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