NbCu3Se4 is a ternary semiconductor compound combining niobium, copper, and selenium in a fixed stoichiometric ratio. This material belongs to the family of mixed-metal chalcogenides and is primarily of research interest rather than established industrial production; it is being investigated for potential applications in thermoelectric devices, photovoltaics, and advanced electronic materials due to the favorable electronic properties that emerge from its multi-element composition. The combination of transition metals (Nb, Cu) with a chalcogen (Se) creates a material system with tunable band structure and potential for efficient charge transport, making it relevant to engineers exploring next-generation energy conversion and semiconductor technologies.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K)2 entries | 4,810.6 | ksi | DFT | ||
| ↳ | 5,380.9 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2400 | - | DFT · OptB88vdW | ||
Shear Modulus(G)2 entries | 3,244.4 | ksi | DFT | ||
| ↳ | 3,420 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1957 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 2.450 | eV | Measured | ||
| ↳ | 1.344 | eV | DFT · OptB88vdW | ||
| ↳ | 1.374 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)3 entries | 7.897 | - | DFT · OptB88vdW | ||
| ↳ | 7.740 | - | DFT · PBE | ||
| ↳ | 8.138 range 8.012–8.264median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 9.173 | - | DFT · OptB88vdW | ||
| ↳ | 8.272 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.8800 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.070 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij)2 entries | 0.1188 | C/m² | DFT · OptB88vdW | ||
| ↳ | 0.01909 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE | ||
Thermoelectric Power Factor(PF)2 entries | 0.00197 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00206 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -275.3 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 282.2 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 33.89 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.4946 | 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