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Magnetic Properties of Iron Clusters in Silver

机译:银中铁簇的磁性特性

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The discrete variational method is used to study the effect of interactions of iron impurities on the magnetic moments, hyperfine fields and isomer shifts at iron sites in silver. We study small clusters of iron atoms as they grow to form FCC phase that is coherent with the silver lattice. The effects of the lattice relaxation and the ferromagnetic and antiferromagnetic couplings are also considered. When Fe atoms congregate around a central Fe atom in an FCC arrangement under ferromagnetic coupling, the local magnetic moment and the contact charge density at the central atom hardly change as the cluster builds up, whereas the hyperfine field increases asymptotically as the number of Fe nearest neighbors increases. Introduction of antiferromagnetic coupling has minor effect on the local magnetic moments and isomer shifts, however it produces large reduction in the hyperfine field. The lattice relaxation of the surrounding Fe atoms towards a BCC phase around a central Fe atom leads to reduction in the magnetic moment accompanied by increase in the magnetic hyperfine field.
机译:离散变分方法用于研究铁杂质对磁矩,高浓度田和异构体在银中的磁性时刻的影响。我们研究小簇的铁原子,因为它们生长以形成与银晶格相干的FCC阶段。还考虑了格子弛豫和铁磁和反铁磁耦合的影响。当FE ATOM在铁磁耦合下的FCC布置中聚集在CCC装置周围时,当群体构成时,局部磁矩和中央原子的接触电荷密度几乎没有变化,而过血域通常会随着最近的FE数量渐近增加而增加邻居增加。防铁磁耦合的引入对局部磁矩和异构体偏移具有轻微影响,但它在高血清场中产生大量减少。周围的Fe原子朝向中央Fe原子周围的BCC阶段的晶格弛豫导致磁性磁性磁场增加的磁矩降低。

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