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AN INVESTIGATION FOR MAGNETIC PROPERTIES AND VALENCIES OF A RARE-EARTH GdPd_3

机译:稀土GdPd_3的磁学性质和相变研究

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摘要

We find that the magnetic properties of a rare-earth material GdPd_3 are determined by the occupancy of the strongly localized 4f electronic states near the Fermi level. In our calculation, we can find that there are two types off electrons. The first one is the localized core-like/electrons which determine the valency and the second one is the delocalized band-like/electrons that are formed through hybridization with the s-d bands which are important for the bonding. GdPd_3 has high magnetic moments around 7.0 μ_B/f.u and they come from the occupancy of the strongly localized 4f electronic states near the Fermi energy.
机译:我们发现,稀土材料GdPd_3的磁性取决于费米能级附近的强局部4f电子态的占有率。在我们的计算中,我们发现存在两种类型的电子。第一个是确定化合价的局部核状/电子,第二个是通过与对键合重要的s-d杂化形成的离域带状/电子。 GdPd_3具有约7.0μB/ f.u的高磁矩,它们来自费米能量附近的强局部4f电子态。

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