Theoretical study of the stability of X N n (n=?1, 0, +1, +2; X=Ag, Cu;N?25) clusters as a function of size using a non-local density functional formalism

1989 ◽  
Vol 12 (1-4) ◽  
pp. 209-211 ◽  
Author(s):  
A. Rubio ◽  
L. C. Balb�s ◽  
A. Vega
1995 ◽  
Vol 384 ◽  
Author(s):  
Zhi-Qiang Li ◽  
Yuichi Hashi ◽  
Jing-Zhi Yu ◽  
Kaoru Ohno ◽  
Yoshiyuki Kawazoe

ABSTRACTThe electronic structure and magnetic properties of rhodium clusters with sizes of 1 - 43 atoms embedded in the nickel host are studied by the first-principles spin-polarized calculations within the local density functional formalism. Single Rh atom in Ni matrix is found to have magnetic moment of 0.45μB. Rh13 and Rhl 9 clusters in Ni matrix have lower magnetic moments compared with the free ones. The most interesting finding is tha.t Rh43 cluster, which is bulk-like nonmagnetic in vacuum, becomes ferromagnetic when embedded in the nickel host.


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