BiTeBr is a ternary bismuth telluride bromide ceramic compound belonging to the family of layered chalcogenide materials. This is primarily a research material being investigated for thermoelectric and optoelectronic applications, where its layered crystal structure and tunable electronic properties offer potential advantages over conventional semiconductors. The material is notable within materials science for its combination of thermal and electrical characteristics relevant to energy conversion and solid-state device design.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 23.26 | GPa | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 105.2 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2700 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 13.57 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 6.478 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.131 | eV | DFT · OptB88vdW | ||
| ↳ | 1.899 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 33.37 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 12.04 | - | DFT · OptB88vdW | ||
| ↳ | 9.037 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.3033 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.8367 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij)2 entries | 0.08291 | C/m² | DFT · OptB88vdW | ||
| ↳ | 0.2941 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE | ||
Thermoelectric Power Factor(PF)2 entries | 0.000659 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00211 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -89.87 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 272.2 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 25.17 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.5038 | 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