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Geometric Structures and Magmetic Properties of FeRh N Clusters(PDF)


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Geometric Structures and Magmetic Properties of FeRh N Clusters
DengKaiming HeAnzhi LiuRenping
School of Sciences,NUST,Nanjing 210094
clusters magnet ic propert ies g eometr ic st ructure
Geomet ric st ructures and mag net ic propert ies o f FeRhN clusters ( N = 2~6, 12, 42, and 54) have been studied using the discrete-v ar iat ional local-spin-density-funct ional method. The paper found that the relativ e stabilit ies of dif f ierent geomet ries are in propor tion to the numbers of bo nds in the smaller FeRhN cluster s ( N = 2~6) . T he g round state of the smal ler FeRhN clusters pr efer s hig h-dimensional g eomet ry w ith mo re mearstneihbo r bonds. T he mag net ic moment s of all FeRhN clusters discussed are bigg er than tho se o f corr espo nding RhRhN clusters. Hence, subst itut ing Rh w ith Fe in RhRhN clusters indeed enhance the mag net ic moment s of the cluster s, w hich is in g ood agreement w ith the relev ant ex perimental result s.


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Last Update: 2013-03-29