ZrFeSe is an intermetallic compound combining zirconium, iron, and selenium, belonging to the family of transition metal chalcogenides. This material is primarily of research interest rather than established industrial use, studied for its electronic and magnetic properties that could enable applications in thermoelectric devices, magnetic sensors, or advanced functional materials. The zirconium-iron-selenium system represents a materials chemistry approach to tailoring properties through elemental combination, offering potential advantages in niche applications where conventional alloys or semiconductors prove inadequate.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 7.506 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.3940 | eV | DFT · OptB88vdW | ||
| ↳ | 0.7400 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 21.10 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.03000 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.04000 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000859 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00338 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -128.2 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 354 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 25.19 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.3343 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.6173 | 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