NbTlBr₄O is an experimental mixed-halide ceramic compound combining niobium, thallium, bromine, and oxygen in a layered perovskite-like structure. This material belongs to an emerging class of hybrid halide ceramics under active research for optoelectronic and solid-state applications, distinguished by relatively low lattice stiffness and weak interlayer bonding that makes it amenable to mechanical exfoliation. While not yet commercialized, compounds in this family are being investigated as potential materials for next-generation photovoltaics, quantum devices, and nanoelectronic components where unconventional bonding and tunable electronic properties offer advantages over traditional wide-bandgap ceramics.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 23.02 | GPa | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 83.56 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2400 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 14.25 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 5.435 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.334 | eV | DFT · OptB88vdW | ||
| ↳ | 1.540 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 25.85 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 6.864 | - | DFT · OptB88vdW | ||
| ↳ | 5.559 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.1120 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00134 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00131 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -287.4 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 269.7 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 31.85 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.289 | 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