ZrFeTe is an intermetallic compound composed of zirconium, iron, and tellurium, representing a ternary metal system that combines refractory and transition metal elements. This material belongs to the class of research-phase intermetallics and is primarily studied for potential applications in high-temperature structural materials and functional devices where the unique electronic properties arising from its constituent elements may be exploited. While not yet widely commercialized, ZrFeTe and related ternary systems are of interest to materials researchers investigating thermoelectric, magnetic, or topological electronic properties—areas where the combination of zirconium's refractory character, iron's ferromagnetic behavior, and tellurium's semiconducting character could yield materials with performance advantages over single-phase alternatives.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 136.6 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2800 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 73.54 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 8.053 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.213 | eV | DFT · OptB88vdW | ||
| ↳ | 1.259 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 27.21 range 19.84–34.57median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 21.08 | - | DFT · OptB88vdW | ||
| ↳ | 20.56 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 1.050 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.9900 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00334 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00343 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -418.9 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 366.6 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 33.27 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.05290 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.5675 | 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