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HYBRIDIZATION EFFECTS IN SOME UX_5 COMPOUNDS

机译:某些UX_5化合物的混合作用

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The presence of the magnetic moments on the uranium atoms in some of the UX_(5-x)Y_x compounds (X and Y are 3d, Ad or 5d transition element) is discussed using the hybridization strength of the s, p, d and f atomic orbitals. By using a semi quantitative band structure approach due to Straub and Harrison, the hybridization effects in these binary and ternary series of isoslructural compounds were evaluated. Comparing the bandwidth with a theoretical critical energy (for f~2 and f~3) in order to predict if the ground state is magnetically ordered it seems that/3 is not the exact electronic configuration for uranium in this class. This fact is correlated with the suggestion that the U valence in the UCu_5 group is a mixture of values where the tetravalent component (f~2 configuration) is a significant one.
机译:利用s,p,d和f的杂化强度,讨论了某些UX_(5-x)Y_x化合物(X和Y为3d,Ad或5d过渡元素)中铀原子上磁矩的存在。原子轨道。通过使用Straub和Harrison的半定量带结构方法,评估了这些二元和三元等结构化合物中的杂交效果。为了将带宽与理论临界能量(对于f〜2和f〜3)进行比较,以预测基态是否磁性有序,在这一类中,似乎/ 3不是铀的精确电子结构。这一事实与以下暗示有关:UCu_5基团中的U价是其中四价成分(f〜2构型)是重要的值的混合值。

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