A Quantum Mechanical Analysis of the Melting Points of Transition Metals——A Novel Hypothesis of Metallic Bond

摘要

From a quantum mechanical analysis of the melting points of the transition elements the authors put forward a hypothesis that the valence electrons are moving between the occupied orbitals and the empty orbitals as well as they are playing a role as "free electrons" moving in the crystal space. Both of these processes constitute a mixed type of metallic bonding. By means of this hypothesis a relation (2/1)m_p/(n_en_o+n_er_a) has been recognised and these values must be crowded in a narrow numerical field. By calculation they are found to be 1.006士0.103 in average.Calculations have also been made on m_p/(n_en_o+n_er_e) and it is found that the ratios of the average values of the three transition periods are 1:1.155:1.322.These are in lmost exact accord with the ratios of the momentum of these periods,i.e.(n+(2/1l(l+1))).By assuming that "free electrons" are responsible essentially for the electro-and thermo-conductions, the average values of (2/1)m_pQ’(or Q") re found to be 1.66士0.26 and 1.65士0.29 for these conductions respectively. Howev-er, there exist regularities in their deviations,implying that the two metallic constitutions must play a coop-erative role in these transfers, and under the ordinary temperatures (between ambient and m. p.)"free elec-trons" play an essential role. At last, the authors have inferred the probable mechanism of superconduc-tivity.