Anharmonicity and localization of atomic vibrations in vitreous silica

被引：113

作者：

Taraskin, SN ^{[1
]}

Elliott, SR ^{[1
]}

机构：

[1] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England

来源：

PHYSICAL REVIEW B | 1999年 / 59卷 / 13期

关键词：

D O I：

10.1103/PhysRevB.59.8572

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A numerical analysis has been made of anharmonicity effects for vibrational eigenmodes in a model of vitreous silica constructed by molecular dynamics. it is shown that in macroscopic systems all eigenmodes are generally harmonic. Strong anharmonicity is found for the bare localized modes in the low-frequency region around the boson peak. This anharmonicity is related to the rotational motion of coupled SiO4 tetrahedra and differs in character from the anharmonicity of the high-frequency localized eigenmodes which are mainly related to symmetric and asymmetric stretching of SiO4 tetrahedra. [S0163-1829(99)03210-5].

引用

页码：8572 / 8585

页数：14

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