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

Journal Article · Sun May 01 00:00:00 EDT 2005 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.71.172202· OSTI ID:20718986

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

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

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.

• OSTI ID: 20718986
• Journal Information: Physical Review. B, Condensed Matter and Materials Physics, Vol. 71, Issue 17; Other Information: DOI: 10.1103/PhysRevB.71.172202; (c) 2005 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1098-0121
• Country of Publication: United States
• Language: English

Related Subjects

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