BaLiAs is a ternary ceramic compound combining barium, lithium, and arsenic elements, representing an experimental material from the semiconductor and advanced ceramics research space. This material family is of interest in solid-state physics and materials science primarily for its potential electronic and optoelectronic properties rather than structural applications. While not established in mainstream industrial production, ternary barium-lithium compounds are investigated for their thermal, electrical, and optical characteristics in specialized research contexts.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K)2 entries | 4,935.7 | ksi | DFT | ||
| ↳ | 5,362 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2300 | - | DFT · OptB88vdW | ||
Shear Modulus(G)2 entries | 3,295.3 | ksi | DFT | ||
| ↳ | 3,672.4 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1620 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.6590 | eV | DFT · OptB88vdW | ||
| ↳ | 1.370 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)3 entries | 41.55 | - | DFT · OptB88vdW | ||
| ↳ | 25.62 | - | DFT · PBE | ||
| ↳ | 16.11 range 9.555–22.66median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 11.15 | - | DFT · OptB88vdW | ||
| ↳ | 7.963 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.4000 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.9067 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij)2 entries | 0.1606 | C/m² | DFT · OptB88vdW | ||
| ↳ | 0.3514 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE | ||
Thermoelectric Power Factor(PF)2 entries | 0.00185 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00230 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -195.5 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 225.4 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 33.90 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.034 | 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