MgPSe3 is a layered ceramic compound belonging to the metal phosphorus chalcogenide family, characterized by a two-dimensional crystal structure with weak van der Waals interlayer bonding. This material is primarily of research interest for next-generation electronic and optoelectronic devices, where its layered geometry and tunable band structure make it attractive for applications requiring thin-film semiconductors, heterostructure engineering, and exfoliation into nanosheets. Unlike conventional bulk ceramics, MgPSe3 represents an emerging class of materials being explored for flexible electronics, photodetectors, and other quantum-scale device concepts where layer-by-layer engineering provides design flexibility.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 32.12 | GPa | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 71.90 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2400 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 21.33 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.012 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 2.067 | eV | DFT · OptB88vdW | ||
| ↳ | 2.852 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 11.95 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 7.816 | - | DFT · OptB88vdW | ||
| ↳ | 6.256 | - | 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 | 0.00335 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00164 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -317.7 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 334.9 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 6.390 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.6253 | 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