NdBrO is a rare-earth oxyhalide ceramic composed of neodymium, bromine, and oxygen. This is an experimental/research-phase compound belonging to the layered oxyhalide family, which has attracted recent attention for potential applications in optoelectronics and energy storage due to their distinctive crystal structures and anisotropic properties. While not yet commercialized, oxyhalides of rare-earth elements are being investigated as candidates for photocatalysis, luminescent devices, and solid-state battery components where their layered architecture and rare-earth functionality could provide advantages over conventional oxides.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 65.96 | GPa | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 64.71 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2500 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 38.05 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 6.445 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 4.507 | eV | DFT · OptB88vdW | ||
| ↳ | 5.673 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 14.87 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 4.867 | - | DFT · OptB88vdW | ||
| ↳ | 4.178 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.7833 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.953 | 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 | 0.00351 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00152 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -345.9 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 381.4 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 0.000 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -3.059 | 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