BaNd2Se4 is an ternary ceramic compound combining barium, neodymium, and selenium—a rare-earth selenide material primarily explored in solid-state physics and materials research rather than established commercial production. This compound belongs to the broader family of rare-earth chalcogenides, which are investigated for potential applications in thermoelectric devices, optical materials, and semiconductor research due to the electronic properties imparted by neodymium. While not yet widely deployed in mainstream engineering, materials in this family are of interest to researchers developing next-generation energy conversion systems and photonic devices where rare-earth dopants provide unique optical or thermal characteristics.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 56.09 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2600 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 32.37 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 6.353 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.690 | eV | DFT · OptB88vdW | ||
| ↳ | 2.153 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 23.56 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 9.115 | - | DFT · OptB88vdW | ||
| ↳ | 7.299 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.8900 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.060 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.1679 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00231 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00222 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -315.4 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 297.4 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 19.65 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.029 | 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