Zb. Hu et Xj. Hu, A QUANTUM-MECHANICAL ANALYSIS OF THE MELTING-POINTS OF TRANSITION-METALS - A NOVEL HYPOTHESIS OF METALLIC BOND, Science in China. Series B, Chemistry, life sciences & earth sciences, 37(7), 1994, pp. 769-777
From a quantum mechaniCal analysis of the melting points of the transi
tion elements the authors put forward a hypothesis that the valence el
ectrons are moving between the occupied orbitals and the empty orbital
s as well as they are playing a role as ''free electrons' moving in th
e crystal space. Both of these processes constitute a mixed type of me
tallic bonding. By means of this hypothesis a relation square-root m(p
)/(n(e)n0+ n(e)r(a)) has been recognized and these values must be crow
ded in a narrow numerical field. By calculation they are found to be 1
.006 +/- 0.103 in average. Calculations have also been made on m(p)/(n
(e)n0+n(e)r(a)) 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 al
most exact accord with the ratios of the momentum of these periods, i.
e. (n+square-root l(l+1)). By assuming that ''free electrons' are resp
onsible essentially for the electro- and thermo-conductions, the avera
ge values of square-root m(p)/Q' (or Q(n)) are found to be 1.66 +/- 0.
26 and 1.65 +/- 0.29 for these conductions respectively. However, ther
e exist regularities in their deviations, implying that the two metall
ic constitutions must play a cooperative role in these transfers, and
under the ordinary temperatures (between ambient and m. p. ) ''free el
ectrons'' play an essential role. At last, the authors have inferred t
he probable mechanism of superconductivity.