Electronic and magnetic properties of embedded Rh clusters in Ni matrix
Zhi-Qiang Li; Yuichi Hashi; Jing-Zhi Yui; K Ohno; Y Kawazoe; Zhi-Qiang Li; Inst. of Mater. Res., Tohoku Univ., Sendai, Japan; Yuichi Hashi; Inst. of Mater. Res., Tohoku Univ., Sendai, Japan; Jing-Zhi Yui; Inst. of Mater. Res., Tohoku Univ., Sendai, Japan; K Ohno; Inst. of Mater. Res., Tohoku Univ., Sendai, Japan; Y Kawazoe; Inst. of Mater. Res., Tohoku Univ., Sendai, Japan
Журнал:
Journal of Physics: Condensed Matter
Дата:
1995-09-11
Аннотация:
The electronic structure and magnetic properties of rhodium clusters with sizes of one to 43 atoms embedded in a nickel host are studied by first-principles spin-polarized calculations within the local density functional formalism. A single Rh atom in Ni matrix is found to have a magnetic moment of 0.45 mu B. Rh<sub>13</sub> and Rh<sub>19</sub> clusters in Ni matrix have lower magnetic moments compared with the free ones. The most interesting finding is that Rh<sub>43</sub> cluster, which is bulk-like and non-magnetic in vacuum, becomes ferromagnetic when embedded in the nickel host.
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