Abstract
Geometry, electronic structure, and magnetic properties of TM@Na8 (TM=3d, 4d and 5d transition metal atoms) clusters have been systematically investigated by using scalar relativistic density functional theory with generalized gradient approximation. Calculations demonstrate that the superatom nature and the magnetic moments of TM@Na8 (TM=3d, 4d and 5d) clusters vary from 0 to 6μB. The stability and origins of these magnetic properties were fully analyzed. Interestingly, we found the magnetic properties of several TM@Na8 clusters have little relation with d electrons of the TM atom.
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.
