HfSe₃ is a layered transition metal chalcogenide ceramic compound composed of hafnium and selenium, belonging to the family of van der Waals materials with potentially tunable electronic and mechanical properties. This is primarily a research material currently being investigated for applications leveraging its layered crystal structure and weak interlayer bonding, rather than an established engineering ceramic. The compound shows promise in nanoelectronics, energy storage, and thermal management applications where anisotropic properties and mechanical exfoliation into thin sheets could be advantageous, though commercial adoption remains limited.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 5,676.8 | ksi | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 58.53 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2500 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 3,757.9 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.2609 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.3460 | eV | DFT · OptB88vdW | ||
| ↳ | 0.9880 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 19.52 | - | DFT · OptB88vdW | ||
| ↳ | 13.04 | - | DFT · PBE | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 13.40 | - | DFT · OptB88vdW | ||
| ↳ | 10.00 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.00333 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.00333 | 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 | 0.00538 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00198 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -65.46 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 61.90 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 31.85 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000300 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.045 | 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