Structure and formation mechanism of six-fold coordinated silicon in phosphosilicate glasses

Miyabe, D; Yoko, T; Takahashi, M; Tokuda, Y; Uchino, T

doi:10.1103/PhysRevB.71.172202

Title: Structure and formation mechanism of six-fold coordinated silicon in phosphosilicate glasses

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Abstract

The local structure of sixfold oxygen coordinated silicon ({sup [6]}Si) in sodium phosphosilicate glasses has been investigated using MAS NMR spectroscopy and ab initio quantum-chemical techniques. It has been demonstrated that {sup [6]}Si is interconnected by six PO{sub 4} tetrahedral units by sharing only their corners, forming a nearly regular [SiO{sub 6/2}]{sup 2-} octahedral site. Alkali cations behave as charge compensators of the doubly charged {sup [6]}Si species and hence play an indispensable role in stabilizing the peculiar octahedral coordination in the glasses.

Authors:

Miyabe, D; Yoko, T ^[1]; Takahashi, M; Tokuda, Y ^[1]; Uchino, T ^[2]

Amorphous Materials Laboratory, Institute for Chemical Research, Kyoto University, Gokasho, Uji, Kyoto 611-0011 (Japan)
Department of Chemistry, Faculty of Science, Kobe University, Nada, Kobe 657-8501 (Japan)

Publication Date:: Sun May 01 00:00:00 EDT 2005

OSTI Identifier:: 20718986

Resource Type:: Journal Article

Journal Name:: Physical Review. B, Condensed Matter and Materials Physics

Additional Journal Information:: Journal Volume: 71; Journal Issue: 17; Other Information: DOI: 10.1103/PhysRevB.71.172202; (c) 2005 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1098-0121

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ABSORPTION SPECTROSCOPY; CATIONS; GLASS; NUCLEAR MAGNETIC RESONANCE; PHOSPHATES; SILICON; SODIUM COMPOUNDS

Citation Formats


                    Miyabe, D, Yoko, T, Takahashi, M, Tokuda, Y, PRESTO, Japan Science and Technology Agency, Kawaguchi, Saitama 332-0012, and Uchino, T. Structure and formation mechanism of six-fold coordinated silicon in phosphosilicate glasses.  United States: N. p., 2005. 
        Web.  doi:10.1103/PhysRevB.71.172202.

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                    Miyabe, D, Yoko, T, Takahashi, M, Tokuda, Y, PRESTO, Japan Science and Technology Agency, Kawaguchi, Saitama 332-0012, & Uchino, T. Structure and formation mechanism of six-fold coordinated silicon in phosphosilicate glasses.  United States.  https://doi.org/10.1103/PhysRevB.71.172202

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                    Miyabe, D, Yoko, T, Takahashi, M, Tokuda, Y, PRESTO, Japan Science and Technology Agency, Kawaguchi, Saitama 332-0012, and Uchino, T. 2005.  
        "Structure and formation mechanism of six-fold coordinated silicon in phosphosilicate glasses".  United States.  https://doi.org/10.1103/PhysRevB.71.172202.

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@article{osti_20718986,

  title        = {Structure and formation mechanism of six-fold coordinated silicon in phosphosilicate glasses},

  author       = {Miyabe, D and Yoko, T and Takahashi, M and Tokuda, Y and PRESTO, Japan Science and Technology Agency, Kawaguchi, Saitama 332-0012 and Uchino, T},

  abstractNote = {The local structure of sixfold oxygen coordinated silicon ({sup [6]}Si) in sodium phosphosilicate glasses has been investigated using MAS NMR spectroscopy and ab initio quantum-chemical techniques. It has been demonstrated that {sup [6]}Si is interconnected by six PO{sub 4} tetrahedral units by sharing only their corners, forming a nearly regular [SiO{sub 6/2}]{sup 2-} octahedral site. Alkali cations behave as charge compensators of the doubly charged {sup [6]}Si species and hence play an indispensable role in stabilizing the peculiar octahedral coordination in the glasses.},

  doi          = {10.1103/PhysRevB.71.172202},

  url          = {https://www.osti.gov/biblio/20718986},
  journal      = {Physical Review. B, Condensed Matter and Materials Physics},

  issn         = {1098-0121},

  number       = 17,

  volume       = 71,

  place        = {United States},

  year         = {Sun May 01 00:00:00 EDT 2005},

  month        = {Sun May 01 00:00:00 EDT 2005}

}

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https://doi.org/10.1103/PhysRevB.71.172202

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