Medium-Range Structure of TeO<sub>2</sub> Glass from Molecular Orbital Calculations

DOI Web Site Web Site 1 Citations 25 References

Bibliographic Information

Other Title
  • 分子軌道法によるTeO<sub>2</sub>ガラスの中距離構造モデルの提案
  • Medium Range Structure of TeO2 Glass fr

Search this article

Description

Ab-initio molecular orbital calculations have been performed on the cluster modeling the medium-range structure of TeO2 glass at the Hartree-Fock level. The calculations have reasonably reproduced a neutron radial distribution function and Raman spectrum observed for TeO2 glass. The calculated results have also demonstrated that the short- and medium-range structures of TeO2 glass cannot be interpreted in terms of the structural unit of either α-TeO2 or β-TeO2 crystal, suggesting that TeO2 glass has an inherent structure that can not be found in the corresponding crystals.

Journal

Citations (1)*help

See more

References(25)*help

See more

Keywords

Details 詳細情報について

Report a problem

Back to top