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应用《固体与分子经验电子理论》计算了α-Fe,β-Co和Ni的价电子结构,在此基础上,计算了它们的居里温度、磁矩、结合能和熔点.计算结果与实验值相符.根据计算结果:这些元素的磁矩只与磁电子相关;居里温度除与磁电子相关外,还与磁性原子间的距离有关;结合能随共价电子数的增加而增大,随磁电子与哑对电子之和的减小而增大;对熔点起主要作用的是最强键上的共价电子对数,晶格电子项作用微弱,哑对电子起削弱作用,单个磁电子的作用可忽略.这些结果表明:α-Fe,β-Co和Ni的物理性能与其价电子结构密切相关,轨道间价电子的转化将改变这些磁性金属的物理性能.
The valence electron structures of α-Fe, β-Co and Ni were calculated based on the empirical electron theory of solids and molecules. On the basis of these calculations, the Curie temperature, the magnetic moment, the binding energy and the melting point were calculated. According to the calculation results: the magnetic moments of these elements are only related to the magnetoelectron; the Curie temperature is related to the distance between the magnetic atoms in addition to the magnetoelectron; the binding energy increases with the increase of the number of the covalent electrons, With the decrease of the sum of magnetic electrons and dumb electrons increases; the main role of the melting point is the covalent electron logarithm of the strongest bond, the role of the lattice electron is weak, dumb electrons weaken, a single magnetic The results show that the physical properties of α-Fe, β-Co and Ni are closely related to their valence electron structures, and the orbital valence electron transformation will change the physical properties of these magnetic metals.