The nature of the interatomic forces in metals
The nature of the interatomic forces in metals
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DOI：
10.1103/physrev.54.899
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发表时间：
1938-12-01
期刊：
影响因子：
--
通讯作者：
Pauling, L
中科院分区：
文献类型：
--
作者：
Pauling, L
一般认为，在过渡元素（Fe、Co、Ni、Cu等）中，3D壳层被10个电子填充或几乎被填充，并且D电子对金属中的内聚力没有显著贡献。这里给出的证据表明，大约一半的d轨道（5个中的2.56个）通过与4 s和4 p轨道的杂化参与键的形成，并且在顺序K、Ca、Sc、Ti、V、Cr中，在可用的原子间位置之间共振的共价键的数目从一个增加到接近六个，从Cr到Ni保持几乎恒定，而随着Cu的增加开始下降。其余的2.44 d轨道，与非常小的原子间的重叠，被占据的非键合电子，这是主要负责的铁磁和顺磁性质的金属。这种观点提供了过渡金属（包括钯和铂族）的许多性质的定性解释，如原子间距离，特性，温度，硬度，压缩性和热膨胀系数，它满意地解释了铁磁元素铁，钴和镍及其合金的原子饱和磁矩的观测值。它也被证明提供了一个原因，发生的正交换积分，引起铁磁性。
It has been generally assumed that in the transition elements (Fe, Co, Ni, Cu, etc.) the 3 d shell is filled with ten electrons or is nearly filled, and that the d electrons make no significant contribution to the cohesive forces in metals. Evidence is presented here to show that about half of the d orbitals (2.56 of the total of 5) are involved in bond formation, through hybridization with the 4 s and 4 p orbitals, and that the number of covalent bonds resonating among the available interatomic positions increases from one to nearly six in the sequence K, Ca, Sc, Ti, V, Cr, remains nearly constant from Cr to Ni, and begins to decrease with Cu. The remaining 2.44 d orbitals, with very small interatomic overlapping, are occupied by nonbonding electrons which are mainly responsible for the ferromagnetic and paramagnetic properties of the metals. This point of view provides a qualitative explanation of many properties of the transition metals (including those of the palladium and platinum groups), such as interatomic distance, characteristic, temperature, hardness, compressibility, and coefficient of thermal expansion, and it accounts satisfactorily for the observed values of the atomic saturation magnetic moments of the ferromagnetic elements iron, cobalt, and nickel and their alloys. It is also shown to provide a reason for the occurrence of the positive exchange integrals which give rise to ferromagnetism.