MgBeSe2 is a ternary ceramic compound combining magnesium, beryllium, and selenium in a crystalline structure. This material belongs to the family of II-IV-VI semiconductors and mixed-metal chalcogenides, which are primarily of research interest rather than established commercial production. The compound is investigated for potential optoelectronic and photovoltaic applications where its electronic band structure and thermal properties could offer advantages in specialized semiconductor devices, though it remains largely in the exploratory phase with limited industrial deployment.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 63.20 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2800 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 35.02 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.114 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.5660 | eV | DFT · OptB88vdW | ||
| ↳ | 1.604 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 25.84 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 7.533 | - | DFT · OptB88vdW | ||
| ↳ | 5.603 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.3667 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.8433 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.4169 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000885 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00525 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -131.7 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 313.5 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 30.65 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.3450 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.7999 | 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