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Variation of the Structural Unit in Tellurite Glasses

Published online by Cambridge University Press:  10 February 2011

Shigeru Suehara ,
Kazuo Yamamoto ,
Shunichi Hishita ,
Takashi Aizawa ,
Satoru Inoue  and
Akihiko Nukui
Shigeru Suehara
Affiliation:
National Institute for Research in Inorganic Materials, 1-1 Namiki, Tsukuba, Ibaraki 305, Japan; suehara@nirim.go.jp
Kazuo Yamamoto
Affiliation:
National Institute for Research in Inorganic Materials, 1-1 Namiki, Tsukuba, Ibaraki 305, Japan; suehara@nirim.go.jp
Shunichi Hishita
Affiliation:
National Institute for Research in Inorganic Materials, 1-1 Namiki, Tsukuba, Ibaraki 305, Japan; suehara@nirim.go.jp
Takashi Aizawa
Affiliation:
National Institute for Research in Inorganic Materials, 1-1 Namiki, Tsukuba, Ibaraki 305, Japan; suehara@nirim.go.jp
Satoru Inoue
Affiliation:
National Institute for Research in Inorganic Materials, 1-1 Namiki, Tsukuba, Ibaraki 305, Japan; suehara@nirim.go.jp
Akihiko Nukui
Affiliation:
National Institute for Research in Inorganic Materials, 1-1 Namiki, Tsukuba, Ibaraki 305, Japan; suehara@nirim.go.jp
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Abstract

We show that the variation of the structural unit in tellurite glasses is due to the charge transfer from modifier atoms to TeO6 octahedra with use of first-principles molecular orbital calculations. Orbital overlap population analysis reveals that the transferred electrons to the Te- O antibonding orbital cause breaking Te-O bonds and lead to reducing the coordination number of the Te atom.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 407: Symposium M – Disordered Materials and Interfaces-Fractals, structure and Dynamics , 1995 , 197
Copyright
Copyright © Materials Research Society 1996

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References

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