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首页> 外文期刊>Journal of Materials Science. Materials in Electronics >Modelling of photoinduced changes in chalcogenide glasses: a-Se and a-As_2Se_3
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Modelling of photoinduced changes in chalcogenide glasses: a-Se and a-As_2Se_3

机译：硫族化物玻璃中光诱导变化的建模：a-Se和a-As_2Se_3

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摘要

The microscopic processes in chalcogenide glasses caused by illumination have been investigated using tight-binding molecular dynamics computer simulation. After the photon absorption we have treated the excited electron and hole independently. We found covalent bond breaking in amorphous networks with photo-induced excited electrons, whereas excited holes contribute to the formation of inter-chain bonds. We also observed a correlated macroscopic volume change of the amorphous sample. The interplay between photo-induced bond breaking and inter-chain bond formation leads to either volume expansion or shrinkage. Our results provide a new and universal description, which can explain simultaneously the photo-induced volume expansion and shrinkage. The model is supported by the results of recent measurements carried out by Y. Ikeda and K. Shimakawa.
机译：使用紧密结合的分子动力学计算机模拟研究了由硫引起的硫属化物玻璃的微观过程。光子吸收后，我们分别处理了激发的电子和空穴。我们发现在具有光诱导的激发电子的非晶网络中，共价键断裂，而激发的空穴有助于链间键的形成。我们还观察到无定形样品的相关宏观体积变化。光诱导的键断裂和链间键形成之间的相互作用导致体积膨胀或收缩。我们的结果提供了一个新的通用描述，可以同时解释光诱导的体积膨胀和收缩。 Y. Ikeda和K. Shimakawa最近进行的测量结果为该模型提供了支持。

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