NaAlSe2 is an intermetallic compound combining sodium, aluminum, and selenium elements, belonging to the class of metal selenides with potential semiconductor or optoelectronic properties. This is primarily a research-phase material rather than an established industrial compound; it represents the broader family of ternary metal chalcogenides being investigated for next-generation electronic and photonic applications. Engineers and materials scientists study compounds in this family for their tunable band gaps, light-emission characteristics, and potential in solid-state device architectures where conventional semiconductors face limitations.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 33.52 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3200 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 18.53 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.737 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 2.439 | eV | DFT · OptB88vdW | ||
| ↳ | 4.078 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 15.54 | - | DFT · OptB88vdW | ||
| ↳ | 14.66 | - | DFT · PBE | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 6.040 | - | DFT · OptB88vdW | ||
| ↳ | 4.508 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.1467 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.8267 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000262 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00276 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -48.36 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 266.2 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 0.000 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.108 | 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