KSmSe₂ is a rare-earth metal selenide ceramic compound belonging to the ternary chalcogenide family, combining potassium, samarium, and selenium elements. This material is primarily studied in solid-state chemistry and materials research for potential applications in thermoelectric devices, optical components, and ionic conductors, where its layered crystal structure and electronic properties are of interest. While not yet widely commercialized, selenide ceramics in this composition family are investigated as alternatives to conventional thermoelectric materials and for advanced semiconductor applications requiring specific band gap and phonon-scattering characteristics.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 39.12 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2400 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 26.31 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.816 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.859 | eV | DFT · OptB88vdW | ||
| ↳ | 2.933 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 16.08 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 6.261 | - | DFT · OptB88vdW | ||
| ↳ | 5.112 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.6067 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.193 | 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 | 0.00281 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00165 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -244.1 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 250.1 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 5.440 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.853 | 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