Ta3SBr7 is a layered ceramic compound composed of tantalum, sulfur, and bromine—a member of the transition metal chalcohalide family that combines properties of both ionic and covalent ceramics. This material is primarily investigated in materials research for two-dimensional (2D) applications due to its layered crystal structure, which can be exfoliated into thin sheets suitable for nanoelectronics, sensing devices, and heterostructure engineering. While not yet established in mainstream industrial production, Ta3SBr7 represents a promising platform for next-generation functional ceramics where chemical tunability and layer-dependent properties offer advantages over conventional monolithic ceramics.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 39.61 | GPa | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 87.80 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2600 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 24.19 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 6.755 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.7900 | eV | DFT · OptB88vdW | ||
| ↳ | 1.167 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 9.657 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 8.565 | - | DFT · OptB88vdW | ||
| ↳ | 7.058 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.1717 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000674 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000291 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -347.9 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 385.9 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 33.80 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.9797 | 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