NaInSe₂ is a ternary semiconductor compound composed of sodium, indium, and selenium, belonging to the family of chalcogenide semiconductors with layered crystal structures. This material is primarily of research and development interest for optoelectronic and photovoltaic applications, where its tunable bandgap and ionic-electronic hybrid conductivity make it promising for next-generation solar cells, photodetectors, and light-emitting devices. While not yet commercialized at scale, NaInSe₂ represents an emerging alternative to conventional II-VI semiconductors, offering potential advantages in flexibility, non-toxicity, and cost-effectiveness compared to cadmium-based or lead halide perovskite systems.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 6,066.9 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2400 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 3,724.6 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1816 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 2.800 | eV | Measured | ||
| ↳ | 1.001 | eV | DFT · OptB88vdW | ||
| ↳ | 2.014 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 21.51 | - | DFT · OptB88vdW | ||
| ↳ | 13.04 range 8.028–18.06median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 8.404 | - | DFT · OptB88vdW | ||
| ↳ | 6.001 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.3700 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 2.243 | 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 | 0.00240 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00327 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -178.6 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 382.6 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 22.67 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.8457 | 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