TY - GEN
T1 - New expression of the chemical bond in perovskite-type oxides
AU - Shinzato, Yoshifumi
AU - Saito, Yuki
AU - Yukawa, Hiroshi
AU - Morinaga, Masahiko
AU - Baba, Takeshi
AU - Nakai, Hiromi
N1 - Copyright:
Copyright 2020 Elsevier B.V., All rights reserved.
PY - 2007
Y1 - 2007
N2 - A new expression for the chemical bond in perovskite-type oxides is proposed based on the atomization energy concept. The atomization energies, ΔEo for oxygen atom and ΔEM for metal atom in each oxide are evaluated theoretically using the energy density analysis of the total energy, and the ΔEO vs. ΔEM 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.
AB - A new expression for the chemical bond in perovskite-type oxides is proposed based on the atomization energy concept. The atomization energies, ΔEo for oxygen atom and ΔEM for metal atom in each oxide are evaluated theoretically using the energy density analysis of the total energy, and the ΔEO vs. ΔEM 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.
UR - http://www.scopus.com/inward/record.url?scp=38349099668&partnerID=8YFLogxK
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U2 - 10.4028/0-87849-462-6.1823
DO - 10.4028/0-87849-462-6.1823
M3 - Conference contribution
AN - SCOPUS:38349099668
SN - 0878494626
SN - 9780878494620
T3 - Materials Science Forum
SP - 1823
EP - 1826
BT - Selected, peer reviewed papers from The Sixth Pacific Rim International Conference on Advanced Materials and Processing, PRICM 6
PB - Trans Tech Publications Ltd
T2 - 6th Pacific Rim International Conference on Advanced Materials and Processing, PRICM 6
Y2 - 5 November 2007 through 9 November 2007
ER -