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Charge and Spin Density Perturbation on Iron Nuclei by 4d and 5d Impurities Substituted on the Iron Sites in a-Fe

机译:4D和5D杂质在A-Fe的铁位点取代的4D和5D杂质上的电荷和旋转密度扰动

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The paper is aimed at the review of the charge and spin density perturbation on the iron nucleus in the BCC iron-based binary alloys containing either 4d (Is Mo, Ru, Rh, Pd) or 5d (Os, Ir, Au) metals as an impurity. Additionally, Ga has been used as such an impurity as well. Measurements have been performed by means of the 'Fe transmission Mossbauer spectroscopy at room temperature. Mossbauer data were treated assuming random distribution of the impurity over the iron sites and additive effect for the charge density perturbation, and additive effect, in the algebraic sense, for the corresponding spin density perturbation. Hence, the effect of the impurity depends solely on the distance between the impurity and the iron nucleus under above assumptions. It has been found that impurities being further away than a third or, in some cases, than the second neighbor do not contribute directly to the charge and spin perturbation. On the other hand, they usually have some minor effect on the average charge and spin density. Generally, the perturbation to either charge or spin density has some oscillatory character versus distance from the impurity. Substitution of the impurities with the increasing number of 4d or 5d electrons leads to the lowering the electron density on the iron nucleus and causes decreased band spin density on this nucleus. Impurities with 5d electrons have generally stronger effect on the charge and spin density perturbation than impurities with 4d electrons.
机译:本文旨在审查含有4D(Mo,Ru,RH,Pd)或5D(OS,IR,AU)金属的BCC铁基二元合金中的铁核的电荷和旋转密度扰动。杂质。另外,GA也被用作这种杂质。通过在室温下通过“Fe传输母动母盘光谱”进行测量。母亲数据被治疗假设杂质对铁位点上的杂质和充电密度扰动的添加效果以及代数意义上的添加剂效果,对应于相应的旋转密度扰动。因此,杂质的效果仅取决于在上述假设下杂质和铁核之间的距离。已经发现,杂质进一步远离第三个或在某些情况下,在某些情况下,而不是第二邻居不会直接贡献充电和旋转扰动。另一方面,它们通常对平均电荷和旋转密度产生一些微小的影响。通常,对电荷或旋转密度的扰动具有与杂质的一些振荡特征相比。将杂质替换为越来越多的4d或5d电子导致铁核上的电子密度降低,并导致该细胞核的带旋旋密度降低。具有5D电子的杂质通常对具有4D电子的杂质的电荷和旋转密度扰动效果较强。

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