A QUANTUM-MECHANICAL ANALYSIS OF THE MELTING-POINTS OF TRANSITION-METALS - A NOVEL HYPOTHESIS OF METALLIC BOND

Authors
Citation
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
Citations number
13
Categorie Soggetti
Multidisciplinary Sciences
ISSN journal
1001652X
Volume
37
Issue
7
Year of publication
1994
Pages
769 - 777
Database
ISI
SICI code
1001-652X(1994)37:7<769:AQAOTM>2.0.ZU;2-Z
Abstract
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.