Paper Title:
New Expression of the Chemical Bond in Perovskite-Type Oxides
  Abstract

A new expression for the chemical bond in perovskite-type oxides is proposed based on the atomization energy concept. The atomization energies, Eo for oxygen atom and EM for metal atom in each oxide are evaluated theoretically using the energy density analysis of the total energy, and the 9EO vs. 9EM diagram called atomization energy diagram, is constructed. Every oxide can be located on the atomization energy diagram, although there are significant differences in the nature of the chemical bond among the oxides.

  Info
Periodical
Materials Science Forum (Volumes 561-565)
Main Theme
Edited by
Young Won Chang, Nack J. Kim and Chong Soo Lee
Pages
1823-1826
DOI
10.4028/www.scientific.net/MSF.561-565.1823
Citation
Y. Shinzato, Y. Saito, H. Yukawa, M. Morinaga , T. Baba, H. Nakai, "New Expression of the Chemical Bond in Perovskite-Type Oxides", Materials Science Forum, Vols. 561-565, pp. 1823-1826, 2007
Online since
October 2007
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