TaCu₃Se₄ is an intermetallic compound combining tantalum, copper, and selenium, belonging to the family of ternary metal chalcogenides. This is a research-phase material studied primarily for its electronic and structural properties rather than an established industrial compound. The material family is of interest in semiconductor research, thermoelectric device development, and solid-state chemistry, where the combination of a refractory metal (tantalum) with copper and a chalcogen (selenium) creates potential for novel electronic behavior, though practical engineering applications remain limited to specialized research contexts.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 4,565 | ksi | DFT | ||
Shear Modulus(G) | 3,146.3 | ksi | DFT |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.2238 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 1.587 | eV | DFT · OptB88vdW | ||
Dielectric Constant (Relative Permittivity)(εr)3 entries | 7.404 | - | DFT · OptB88vdW | ||
| ↳ | 7.320 | - | DFT · PBE | ||
| ↳ | 7.715 range 7.598–7.831median of 2 measurements | - | DFT · PBEsol | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 1.160 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.8900 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij)2 entries | 0.06943 | C/m² | DFT · OptB88vdW | ||
| ↳ | 0.03648 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE | ||
Thermoelectric Power Factor(PF)2 entries | 0.00219 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00217 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -307.3 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 278.2 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.4929 | 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