Structural Evolution of SiO2 Glass with Si Coordination Number Greater than 6
Structural Evolution of SiO2 Glass with Si Coordination Number Greater than 6
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DOI：
10.1103/physrevlett.125.205701
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发表时间：
2020-11-12
影响因子：
8.6
通讯作者：
Shen, Guoyin
中科院分区：
文献类型：
--
作者：
Kono, Yoshio;Shu, Yu;Shen, Guoyin
SiO2玻璃的对分布函数测量高达120 GPa，揭示了与Si配位数C-Si增加到>6相关的第一，第二和第三近邻距离的变化。从第一和第二近邻距离确定的Si和O的堆积分数显示出伴随着C-Si = 6到>6的结构演化的显著变化。Si和O的离子半径比以及非键半径与键合Si-O距离之比的结构约束支持了C-Si > 6的SiO2玻璃在高压下的结构演化。
Pair distribution function measurement of SiO2 glass up to 120 GPa reveals changes in the first-, second-, and third-neighbor distances associated with an increase in Si coordination number C-Si to >6 above 95 GPa. Packing fractions of Si and O determined from the first- and second-neighbor distances show marked changes accompanied with the structural evolution from C-Si = 6 to >6. Structural constraints in terms of ionic radius ratio of Si and O, and ratio of nonbonded radius to bonded Si-O distance support the structural evolution of SiO2 glass with C-Si > 6 at high pressures.