KBiP₂S₆ is a ternary sulfide ceramic compound belonging to the metal phosphorus sulfide family, combining potassium, bismuth, phosphorus, and sulfur elements into a crystalline structure. This material is primarily of research interest for nonlinear optical and photonic applications, where layered sulfide ceramics show promise for frequency conversion, infrared sensing, and solid-state laser technologies. KBiP₂S₆ exemplifies an emerging class of compounds engineered for mid-infrared transparency and potential ferroelectric or piezoelectric behavior, positioning it as an alternative to established oxide ceramics in specialized optical systems where sulfide-based transparency windows and chemical stability are advantageous.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 24.09 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2800 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 12.87 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.440 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 2.171 | eV | DFT · OptB88vdW | ||
| ↳ | 2.856 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 27.14 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 7.808 | - | DFT · OptB88vdW | ||
| ↳ | 6.287 | - | DFT · TBmBJ | ||
Piezoelectric Modulus(eij) | 0.1108 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000152 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000470 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -370.5 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 295.1 | 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) | -0.5855 | 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