MnPSe₃ is a layered transition metal phosphorus selenide semiconductor belonging to the family of van der Waals materials. This is primarily a research compound under active investigation for two-dimensional device applications, rather than an established industrial material. The layered crystal structure and moderate mechanical stiffness make it a candidate for next-generation electronics, photonics, and heterostructure devices where van der Waals interactions enable mechanical exfoliation to single or few-layer forms.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 30.78 | GPa | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 73.91 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2500 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 17.51 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.570 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 2.500 | eV | Measured | ||
| ↳ | 0.000 | eV | DFT · OptB88vdW | ||
| ↳ | 0.000 | eV | DFT · TBmBJ | ||
Magnetic Moment(μB) | 9.632 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000342 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000312 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | 50.75 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 50.37 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.09580 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.2037 | 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