Abstract
We present the results of our theoretical calculations on structural and electronic properties of hollow ZnnSn clusters as a function of the size of the clusters. Our results include the variation of radial distribution, Mulliken population, electronic energy levels, and band gap as a function of size for both single-layer and double-layer hollow ZnS nanoclusters. The band gap of both single- and double-layer hollow clusters passes through a minimum when studied as a function of the size of the cluster. We have also found that clusters with symmetric charge distribution have higher band-gap values compared to clusters with asymmetric charge distribution. We also compared the properties of the hollow clusters with those of bulk-like clusters.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
