ZrS2 is a layered transition metal dichalcogenide semiconductor composed of zirconium and sulfur, belonging to the same materials family as MoS2 and WS2. While primarily a research material rather than an established commercial product, ZrS2 is investigated for applications leveraging its two-dimensional electronic properties, including potential use in field-effect transistors, photodetectors, and energy storage devices. Its layered crystal structure and moderate mechanical properties make it attractive for emerging nanoelectronic and optoelectronic applications where ultrathin semiconducting films are advantageous.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 6,394.7 | ksi | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 88.92 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2300 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 4,622.4 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1355 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)4 entries | 2.750 | eV | Measured | ||
| ↳ | 0.9110 | eV | DFT · OptB88vdW | ||
| ↳ | 1.172 | eV | DFT · TBmBJ | ||
| ↳ | 1.620 | eV | DFT · HSE06 | ||
Dielectric Constant (Relative Permittivity)(εr) | 35.90 | - | DFT · PBE | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 10.85 | - | DFT · OptB88vdW | ||
| ↳ | 9.529 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 1.137 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.943 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00338 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00189 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -307.9 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 268.7 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 33.79 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf)2 entries | -1.686 | eV/atom | DFT · OptB88vdW | ||
| ↳ | -1.995 | eV/atom | Measured |
Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data