Copper(I) iodide (CuI) is a binary semiconductor compound consisting of copper and iodine, belonging to the I-VII semiconductor family. It is primarily investigated for optoelectronic and photovoltaic applications, including light-emitting devices, photodetectors, and perovskite solar cell components, where its direct bandgap and relatively simple crystal structure offer potential advantages in device fabrication. CuI is also explored as a hole-transport layer material in perovskite and organic photovoltaic devices, though it remains largely in research and development phases compared to mainstream commercial semiconductors; engineers typically consider it when designing novel light-conversion systems or investigating alternative wide-bandgap materials for specialized optoelectronic architectures.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K)2 entries | 35.71 | GPa | DFT | ||
| ↳ | 41.08 | GPa | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 79.20 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3500 | - | DFT · OptB88vdW | ||
Shear Modulus(G)2 entries | 14.50 | GPa | DFT | ||
| ↳ | 14.75 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Thermal Conductivity(k) | 7.100 | W/(m·K) | Measured |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 5.662 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)3 entries | 3.100 | eV | Measured | ||
| ↳ | 1.250 | eV | DFT · OptB88vdW | ||
| ↳ | 2.203 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)3 entries | 10.46 | - | DFT · OptB88vdW | ||
| ↳ | 8.040 | - | DFT · PBE | ||
| ↳ | 7.547 range 6.983–8.111median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 6.474 | - | DFT · OptB88vdW | ||
| ↳ | 5.139 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij)2 entries | 0.000 | C/m² | DFT · OptB88vdW | ||
| ↳ | 0.07834 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 18.60 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf)2 entries | -0.1526 | eV/atom | DFT · OptB88vdW | ||
| ↳ | -0.3524 | 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