FeSe₂ (iron diselenide) is an intermetallic compound belonging to the pyrite-structure family of iron chalcogenides, characterized by its layered crystal structure and moderate elastic stiffness. This material is primarily of research interest as a potential semiconducting or thermoelectric compound, with applications being explored in energy conversion, photovoltaic devices, and catalytic systems rather than established industrial production. Engineers would consider FeSe₂ for specialized low-temperature electronic applications or as a precursor phase in composite materials, though it remains largely experimental compared to more mature alternatives like skutterudites or bismuth tellurides for thermoelectric use.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K)2 entries | 17,058.3 | ksi | DFT | ||
| ↳ | 17,220.3 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2000 | - | DFT · OptB88vdW | ||
Shear Modulus(G)2 entries | 13,313.1 | ksi | DFT | ||
| ↳ | 13,459.5 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.2548 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.3280 | eV | DFT · OptB88vdW | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 36.83 | - | DFT · PBE | ||
| ↳ | 31.01 range 25.86–36.17median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 27.66 | - | DFT · OptB88vdW | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.01667 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.01667 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00184 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00139 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -296.4 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 290 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.3869 | 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