Abstract
The effects of a manganese atom on the magnetic order and magnetic moments of Fe n Mn ( n = 1 – 12 ) clusters have been investigated using the all-electron density functional theory. The results reveal that the Fe–Mn couplings in the lowest-energy structures of Fe n Mn ( n = 1 – 12 ) clusters undergo a change from ferromagnetic ordering for the smallest ( n = 1 , 2 ) clusters to ferrimagnetic ordering for the intermediate ( n = 3 – 6 ) clusters. Starting from n = 7 , however, ferromagnetic Fe–Mn couplings completely prevail. The low coordination number of the doped Mn atom results in it having a high spin moment in the Fe–Mn binary clusters, which exhibits a marked magnetic moment surface enhancement effect.
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.
