LiErSe2 is an inorganic ceramic compound containing lithium, erbium, and selenium—a ternary chalcogenide that exists primarily in research and developmental contexts rather than established industrial production. This material class is of interest in solid-state physics and materials science for its potential in ionic conductivity, optical properties, or thermoelectric applications, though LiErSe2 specifically remains largely experimental. Engineers and researchers exploring advanced ceramics for energy storage, optoelectronics, or high-temperature applications may evaluate this compound as part of broader screening efforts, particularly in settings where rare-earth doping or lithium-based ionic frameworks are strategically valuable.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 63.97 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2400 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 41.60 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 6.117 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.649 | eV | DFT · OptB88vdW | ||
| ↳ | 2.250 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 20.40 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 7.305 | - | DFT · OptB88vdW | ||
| ↳ | 6.056 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.4367 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.353 | 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 | 0.00276 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00214 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -213.8 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 270.6 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 17.67 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.06360 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.718 | 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