ZrSe3 is a layered transition metal chalcogenide semiconductor composed of zirconium and selenium, belonging to the family of quasi-one-dimensional materials with anisotropic crystal structures. This is primarily a research material of interest for its tunable electronic and thermal properties, particularly in contexts exploring charge density waves and exotic electronic phenomena. Engineers and researchers consider ZrSe3 for next-generation nanoelectronic devices, thermal management applications, and as a platform for studying quantum transport effects in low-dimensional systems.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K)2 entries | 2,381.8 | ksi | DFT | ||
| ↳ | 5,514.3 | ksi | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 58.41 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2700 | - | DFT · OptB88vdW | ||
Shear Modulus(G)2 entries | 1,346.2 | ksi | DFT | ||
| ↳ | 3,476.6 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.2017 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 0.2970 | eV | DFT · OptB88vdW | ||
| ↳ | 0.7420 | eV | DFT · TBmBJ | ||
| ↳ | 1.500 | eV | Measured | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 13.11 | - | DFT · OptB88vdW | ||
| ↳ | 11.33 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.03333 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.03333 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00515 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00179 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -184.7 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 192.8 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 25.23 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.104 | 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