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

DOI Web Site Web Site 被引用文献1件 参考文献25件

書誌事項

タイトル別名
  • Medium-Range Structure of TeO<sub>2</sub> Glass from Molecular Orbital Calculations
  • Medium Range Structure of TeO2 Glass fr

この論文をさがす

抄録

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.

収録刊行物

被引用文献 (1)*注記

もっと見る

参考文献 (25)*注記

もっと見る

キーワード

詳細情報 詳細情報について

問題の指摘

ページトップへ