AlCuSe₂ is an intermetallic compound combining aluminum, copper, and selenium—a relatively uncommon ternary phase that bridges metallic and semiconductor characteristics. This material is primarily investigated in materials research for potential applications in thermoelectric devices and semiconductor technologies, where its mixed metallic-semiconducting nature may offer advantages in thermal-to-electric energy conversion or specialized electronic applications. Its actual industrial adoption remains limited, making it most relevant to engineers exploring advanced functional materials or working on experimental energy conversion systems rather than conventional structural applications.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K)2 entries | 62.52 | GPa | DFT | ||
| ↳ | 66.42 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3200 | - | DFT · OptB88vdW | ||
Shear Modulus(G)2 entries | 28.37 | GPa | DFT | ||
| ↳ | 29.87 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.664 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.069 | eV | DFT · OptB88vdW | ||
| ↳ | 2.509 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 10.52 | - | DFT · OptB88vdW | ||
| ↳ | 9.662 range 8.761–10.56median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 8.023 | - | DFT · OptB88vdW | ||
| ↳ | 3.743 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.1467 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.113 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij)2 entries | 0.6279 | C/m² | DFT · OptB88vdW | ||
| ↳ | 0.02428 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE | ||
Thermoelectric Power Factor(PF)2 entries | 0.000280 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00197 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -48.48 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 317.5 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 12.48 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.6821 | 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