Direct calculation of light-induced structural change and diffusive motion in glassy As2Se3

被引：95

作者：

Li, J ^{[1
]}

Drabold, DA ^{[1
]}

机构：

[1] Ohio Univ, Dept Phys & Astron, Condensed Matter & Surface Sci Program, Athens, OH 45701 USA

来源：

PHYSICAL REVIEW LETTERS | 2000年 / 85卷 / 13期

关键词：

D O I：

10.1103/PhysRevLett.85.2785

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Photostructural change of glassy As2Se3 was simulated on an experimentally credible model with excited electronic dynamics within first-principles molecular dynamics. Bond breaking and bond switching reactions account for local changes around defect sites at the short time phase of illumination. For longtime relaxation, defect pairs associated with band tail states become involved in a rearrangement in the network, giving rise to a low energy, nonlocal "polaronlike" collective oscillation. Diffusive motion is observed for short times, which we tentatively interpret as the initial phase of athermal photomelting.

引用

页码：2785 / 2788

页数：4

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