CaNd2S4 is a ternary chalcogenide semiconductor compound combining calcium, neodymium, and sulfur in a layered or complex crystal structure. This material belongs to the rare-earth chalcogenide family and remains largely in the research and development phase, with potential applications in optoelectronics and photovoltaic devices where rare-earth doping can enable specialized optical properties. Engineers and materials researchers investigate such compounds for their potential in next-generation solar cells, infrared detectors, and luminescent devices where the combination of rare-earth elements and sulfide chemistry offers tunable bandgaps and light-emission characteristics unavailable in more conventional semiconductors.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 73.53 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2600 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 42.04 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.836 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 2.700 | eV | Measured | ||
| ↳ | 2.079 | eV | DFT · OptB88vdW | ||
| ↳ | 2.782 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 21.69 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 8.099 | - | DFT · OptB88vdW | ||
| ↳ | 6.979 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.5500 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.417 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.1630 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00118 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00217 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -189.7 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 344.9 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 7.430 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.00680 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.278 | 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