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Copyright of Journal of Atomic & Molecular Physics (1000-0364) is the property of Journal of Atomic & Molecular Physics Editorial Office and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Journal of Atomic & Molecular Physics (1000-0364) is the property of Journal of Atomic & Molecular Physics Editorial Office and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

The photoelectric properties and bond lengths of 2D CuI with intrinsic defects are calculated based on density function theory, and the energy band structures, densities of states and complex dielectric functions a re analyzed in detail. The bandgap of intrinsic 2D CuI is 1. 56 eV, and it is a direct bandgap semiconductor material. The introduction of I and Cu defects reduce the bandgap of intrinsic 2D CuI, and the introduction of Cu defect does not change the bandgap mode of 2D CuI, while the 2D CuI modified by I defect becomes an indirect bandgap semi conductor. The results of optical properties showth at the static dielectric function of intrinsic 2D CuI is 2. 47, the introduction of I defect has little effect on the static dielectric function of 2D CuI, but the static dielectric function of 2D CuI increases sharply when Cu defect is present. [ABSTRACT FROM AUTHOR]