ScCuO2 is a copper oxide compound doped with scandium, belonging to the class of transition metal oxides with semiconductor properties. This material is primarily of research interest rather than established industrial production, investigated for potential applications in high-temperature electronics, solid-state devices, and materials where combined thermal stability and electrical characteristics are valuable. Its appeal lies in the scandium doping strategy, which can modify the electronic band structure and defect chemistry of copper oxide semiconductors—a family explored for next-generation thermoelectrics, gas sensors, and oxide electronics where conventional materials face thermal or chemical limitations.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K)2 entries | 135.4 | GPa | DFT | ||
| ↳ | 149.3 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3500 | - | DFT · OptB88vdW | ||
Shear Modulus(G)2 entries | 46.09 | GPa | DFT | ||
| ↳ | 57.75 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.502 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 3.300 | eV | Measured | ||
| ↳ | 2.468 | eV | DFT · OptB88vdW | ||
| ↳ | 2.548 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)3 entries | 15.55 | - | DFT · OptB88vdW | ||
| ↳ | 14.02 | - | DFT · PBE | ||
| ↳ | 9.861 range 6.119–13.60median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 5.923 | - | DFT · OptB88vdW | ||
| ↳ | 5.100 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00257 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00201 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -338.8 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 473.5 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 11.70 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.585 | 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