HgPS3 is a layered semiconductor compound composed of mercury, phosphorus, and sulfur, belonging to the family of metal phosphorus trisulfides. This material is primarily of research interest for two-dimensional electronics and optoelectronics, as its layered crystal structure allows mechanical exfoliation into few-layer or monolayer forms suitable for next-generation device applications. Unlike conventional bulk semiconductors, HgPS3's weak interlayer bonding and tunable electronic properties make it attractive for exploratory work in flexible electronics, photodetectors, and quantum device research, though it remains largely in the laboratory phase with limited commercial deployment.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 4,200.3 | ksi | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 70.60 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3000 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 2,261.1 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1709 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 2.600 | eV | Measured | ||
| ↳ | 1.679 | eV | DFT · OptB88vdW | ||
| ↳ | 2.587 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 16.88 | - | DFT · OptB88vdW | ||
| ↳ | 11.69 | - | DFT · PBE | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 8.398 | - | DFT · OptB88vdW | ||
| ↳ | 6.481 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.6867 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 2.377 | 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 | 0.00124 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00126 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -194 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 346.5 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 11.00 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.1599 | 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