P4S5 is a phosphorus sulfide ceramic compound belonging to the family of chalcogenide ceramics, which combine phosphorus with sulfur to create materials with unique optical and structural properties. This material is primarily of research and developmental interest for applications requiring layered crystal structures and controlled exfoliation behavior, positioning it within the broader field of two-dimensional materials and van der Waals heterostructures. The material's relatively modest mechanical stiffness combined with low exfoliation energy makes it particularly relevant for emerging applications in flexible electronics, layered composite architectures, and materials where controlled mechanical separation or layer manipulation is advantageous.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 14.52 | GPa | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 86.24 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2500 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 9.370 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 2.254 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 2.227 | eV | DFT · OptB88vdW | ||
| ↳ | 3.009 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 6.969 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 7.407 | - | DFT · OptB88vdW | ||
| ↳ | 5.955 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00205 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00119 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -325.5 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 377.1 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 4.560 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.1784 | 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