Abstract
A simple tight-binding type of electronic theory is presented for the size and structural dependence of the ionization energy I n and cohesive energy E coh( n) of transition-metal clusters. In agreement with recent experimental results a characteristic structure in I n is obtained for Fe n and Ni n , which results from size-dependent changes of the d-electron energies and band widths. The calculated I n and E coh( n) depend not only on cluster size n but also on the geometrical arrangement of the atoms. Assuming that small Fe n and Ni n clusters have bcc- and fcc-like structures, respectively, gives the best agreement with experiment.
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.
