TaCu3Te4 is a ternary intermetallic compound combining tantalum, copper, and tellurium—a material class that remains largely experimental and not widely commercialized. Research into tantalum-based chalcogenides (tellurides and selenides) is driven by their potential in thermoelectric energy conversion and semiconducting applications, where the combination of metallic and semiconducting character offers unique electronic properties. This particular composition represents exploratory materials science work; engineers would encounter it primarily in academic research contexts or emerging technologies seeking alternatives to conventional thermoelectrics or functional metallic compounds.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 28.54 | GPa | DFT | ||
Shear Modulus(G) | 19.89 | GPa | DFT |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 6.862 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.308 | eV | DFT · OptB88vdW | ||
| ↳ | 1.551 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)3 entries | 9.747 | - | DFT · OptB88vdW | ||
| ↳ | 9.730 | - | DFT · PBE | ||
| ↳ | 10.40 range 10.22–10.58median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 10.93 | - | DFT · OptB88vdW | ||
| ↳ | 7.867 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.7800 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.4200 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij)2 entries | 0.1211 | C/m² | DFT · OptB88vdW | ||
| ↳ | 0.03739 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE | ||
Thermoelectric Power Factor(PF)2 entries | 0.00177 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00204 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -259.8 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 238.4 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 31.66 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.2392 | 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