CHEMICAL BONDING STATE OF PHOSPHORUS ATOM TO IRON ATOM AT GRAIN BOUNDARY OF IRON AND IN Fe//3P CRYSTAL.

Yasutoshi Noda, Katashi Masumoto, Shigeru Ohba, Yoshihiko Saito, Akira Yanase

Research output: Contribution to conferencePaperpeer-review

1 Citation (Scopus)

Abstract

Phosphorus at grain boundary of iron is known to be in similar bonding state to that in Fe//3P crystal. In order to obtain information on the chemical bonding state of phosphorus to iron at grain boundary, valence electron population analysis of X-ray diffraction data and theoretical bandstructure calculation have been performed for Fe//3P crystal. The observed effective charges of the atoms are consistent with the calculated charge distributions. A covalent bonding state between Fe 3d and P 3p states occurs on the density of states. At grain boundary where the interaction between phosphorus atoms is two-dimensional, the covalent bonding state between iron and phosphorus atoms is inferred from the results for Fe//3P. It is proposed that the decohesion of the boundary might be initiated at the transient interface between the covalent bonding state and the metallic state in the matrix.

Original languageEnglish
Pages117-123
Number of pages7
Publication statusPublished - 1986
Externally publishedYes

ASJC Scopus subject areas

  • Engineering(all)

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