金属价电子结构对磁性和电输运性质的影响

发布时间：2018-07-27 10:44

【摘要】：本文以原子物理学中电子按能级分布理论为基础,提出一个关于金属磁性的新的巡游电子模型:在形成金属的过程中由于受到电子间泡利排斥力的作用,Fe,Ni,Co原子的大部分4s电子进入3d轨道,只有一少部分4s电子成为自由电子;最外层3d轨道的电子有一定概率在离子实间巡游,形成巡游电子;其余的3d电子为局域电子.因此,由Fe,Ni,Co金属的平均原子磁矩实验值2.22,0.62和1.72μB,计算出Fe,Ni,Co金属中平均每个原子贡献的自由电子数目为0.22,0.62和0.72,从而解释了为什么Fe,Ni,Co金属的电阻率依次减小.应用这个模型计算出的平均每个原子的3d电子数为7.78,9.38和8.28,与金属能带论计算结果 (7.4,9.4和8.3)比较接近,但是本文的方法更加简单、有效,易于理解.这为进一步澄清金属与合金的价电子结构提供了新思路.
[Abstract]:This paper is based on the theory of electron energy distribution in atomic physics. A new traveling electron model about metal magnetism is proposed. During the process of forming metal, most 4s electrons of Fe-Ni Ni Co atom are in 3D orbit, only a few 4s electrons become free electrons because of the effect of Pauli repulsive force between electrons. The outermost 3D orbital electrons have a certain probability of cruising between ions to form cruising electrons, while the other 3D electrons are local electrons. Therefore, based on the experimental values of the average atomic magnetic moment of the Feo NiCo metal, 2.22N 0.62 and 1.72 渭 B, the average number of free electrons contributed by each atom is calculated to be 0.22 ~ (0.62) and 0.72 渭 B, which explains why the resistivity of the Fe ~ (2 +) Ni _ (Co) metal decreases in turn. The average 3D electron number of each atom calculated by this model is 7.789.38 and 8.28, which is close to the calculated results of metal band theory (7.4n.4 and 8.3), but the method in this paper is simpler, more effective and easier to understand. This provides a new idea for further clarifying the valence electronic structure of metals and alloys.
【作者单位】：河北师范大学物理科学与信息工程学院河北省新型薄膜材料实验室;北京凝聚态物理国家实验室中国科学院物理研究所;
【基金】：国家自然科学基金(批准号:11174069) 河北省自然科学基金(批准号:A2015205111) 河北省应用基础研究计划重点基础研究项目(批准号:16961106D) 河北省教育厅青年基金(批准号:QN2016015)资助的课题~~
【分类号】：O469

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