Abstract
This work presents a systematic study of the geometric, electronic and magnetic properties of Pd clusters pristine and mono- and bi[1]doped with Mn: Pdn, Pdn−1Mn, Pdn−2Mn2 where n ≤13. We have used the density functional formalism with the spin polarized generalized gradient approximation. From the variety of possible structures with thirteen atoms, we found the icosahedral configuration to be the most stable as compared to the hexagonal, cub-octahedral and buckled bi-planar. The change in magnetic behavior of Pd clusters after doping with Mn has been observed. This communication is an attempt to understand that behaviour.
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.
