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: Chapter in Book/Report/Conference proceedingConference contribution

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
Title of host publicationTransactions of the Japan Institute of Metals, Supplement
PublisherJapan Inst of Metals
Pages117-123
Number of pages7
Volume27
Publication statusPublished - 1986
Externally publishedYes

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Phosphorus
Grain boundaries
Iron
Atoms
Crystals
Charge distribution
X ray diffraction
Electrons

ASJC Scopus subject areas

  • Engineering(all)

Cite this

Noda, Y., Masumoto, K., Ohba, S., Saito, Y., & Yanase, A. (1986). CHEMICAL BONDING STATE OF PHOSPHORUS ATOM TO IRON ATOM AT GRAIN BOUNDARY OF IRON AND IN Fe//3P CRYSTAL. In Transactions of the Japan Institute of Metals, Supplement (Vol. 27, pp. 117-123). Japan Inst of Metals.

CHEMICAL BONDING STATE OF PHOSPHORUS ATOM TO IRON ATOM AT GRAIN BOUNDARY OF IRON AND IN Fe//3P CRYSTAL. / Noda, Yasutoshi; Masumoto, Katashi; Ohba, Shigeru; Saito, Yoshihiko; Yanase, Akira.

Transactions of the Japan Institute of Metals, Supplement. Vol. 27 Japan Inst of Metals, 1986. p. 117-123.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Noda, Y, Masumoto, K, Ohba, S, Saito, Y & Yanase, A 1986, CHEMICAL BONDING STATE OF PHOSPHORUS ATOM TO IRON ATOM AT GRAIN BOUNDARY OF IRON AND IN Fe//3P CRYSTAL. in Transactions of the Japan Institute of Metals, Supplement. vol. 27, Japan Inst of Metals, pp. 117-123.
Noda Y, Masumoto K, Ohba S, Saito Y, Yanase A. CHEMICAL BONDING STATE OF PHOSPHORUS ATOM TO IRON ATOM AT GRAIN BOUNDARY OF IRON AND IN Fe//3P CRYSTAL. In Transactions of the Japan Institute of Metals, Supplement. Vol. 27. Japan Inst of Metals. 1986. p. 117-123
Noda, Yasutoshi ; Masumoto, Katashi ; Ohba, Shigeru ; Saito, Yoshihiko ; Yanase, Akira. / CHEMICAL BONDING STATE OF PHOSPHORUS ATOM TO IRON ATOM AT GRAIN BOUNDARY OF IRON AND IN Fe//3P CRYSTAL. Transactions of the Japan Institute of Metals, Supplement. Vol. 27 Japan Inst of Metals, 1986. pp. 117-123
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