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金属价电子结构对磁性和电输运性质的影响
  • ISSN号:1000-3290
  • 期刊名称:《物理学报》
  • 时间:0
  • 分类:O441.2[理学—电磁学;理学—物理]
  • 作者机构:[1]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,石家庄050024, [2]北京凝聚态物理国家实验室中国科学院物理研究所,北京100190
  • 相关基金: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
中文摘要:

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.

英文摘要:

Conventionally, the energy band theory is used to explain the magnetic and electrical transport properties of metals.However, so far, there has been no quantitative explanation of the relations between the average magnetic moment per atom and the resistivity for Fe, nor Ni, nor Co metals. In this paper, a new itinerant electron model for magnetic metal is proposed on the basis of electron distribution theory at the energy level. 1) In the process of free atoms forming the metal solid, most of the 4s electrons of Fe, Ni and Co enter into the 3d orbits subjected to the Pauli repulsive force, and the remaining 4s electrons form free electrons. 2) Since the average number of 3d electrons is not an integer, a part of atoms have one 3d electron more than the other atoms. These excess 3d electrons have a certain probability to itinerate between the 3d orbits of the adjacent atoms as itinerant electrons; and the other 3d electrons are local electrons. 3) The transition probability of itinerant electrons is very low, thus the contribution to metal resistivity from itinerant electrons is far lower than that from free electrons. Resistivity of metal decreases with increasing the number of free electrons.Therefore, using the observed values of average atomic magnetic moments, 2.22, 0.62 and 1.72 μB, the average numbers of free electrons in Fe, Ni and Co can be calculated to be 0.22, 0.62 and 0.72, respectively. This is the reason why the electrical resistivities of Fe, Ni and Co(8.6, 6.14 and 5.57 μ?-cm) decease successively. In addition, according to this model, the average number of 3d electrons per atom in Ni metal is 9.38. This indicates that 38% of atoms in Ni metal have ten 3d electrons, forming a full 3d sub-shell, as in Cu or Zn atoms. The 3d electrons in these atoms are difficult to itinerate or exchange. This may be the reason why the Curie temperature of Ni metal(631 K) is far lower than those of Fe and Co metals(1043 and 1404 K). On the basis of the energy band theory, the numbers of 3d elec

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期刊信息
  • 《物理学报》
  • 北大核心期刊(2011版)
  • 主管单位:中国科学院
  • 主办单位:中国物理学会 中国科学院物理研究所
  • 主编:欧阳钟灿
  • 地址:北京603信箱(中国科学院物理研究所)
  • 邮编:100190
  • 邮箱:apsoffice@iphy.ac.cn
  • 电话:010-82649026
  • 国际标准刊号:ISSN:1000-3290
  • 国内统一刊号:ISSN:11-1958/O4
  • 邮发代号:2-425
  • 获奖情况:
  • 1999年首届国家期刊奖,2000年中科院优秀期刊特等奖,2001年科技期刊最高方阵队双高期刊居中国期刊第12位
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  • 被引量:49876