HfS3 is a layered transition metal trichalcogenide semiconductor composed of hafnium and sulfur, belonging to the family of two-dimensional materials that can be mechanically exfoliated into thin sheets. This compound is primarily of research interest for next-generation electronics and optoelectronics, where its tunable bandgap and layered structure make it a candidate for flexible devices, photodetectors, and field-effect transistors that could complement or replace conventional silicon in specialized applications. HfS3 remains largely in the experimental phase, but represents a promising direction in van der Waals materials engineering for scaled-down electronic systems where conventional bulk semiconductors reach performance or miniaturization limits.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K)2 entries | 2,700.2 | ksi | DFT | ||
| ↳ | 7,021.3 | ksi | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 55.69 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2500 | - | DFT · OptB88vdW | ||
Shear Modulus(G)2 entries | 1,745.9 | ksi | DFT | ||
| ↳ | 4,486 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1995 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 1.183 | eV | DFT · OptB88vdW | ||
| ↳ | 1.927 | eV | DFT · TBmBJ | ||
| ↳ | 2.850 | eV | Measured | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 16.32 | - | DFT · OptB88vdW | ||
| ↳ | 9.600 | - | DFT · PBE | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 8.703 | - | DFT · OptB88vdW | ||
| ↳ | 7.335 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00184 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00167 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -196.5 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 314.3 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 24.58 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.324 | 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