Mechanisms of photoinduced fluidity in chalcogenide glasses: Molecular orbital analyses

被引：16

作者：

Tanaka, Keiji ^{[1
]}

Shimakawa, Koichi ^{[2
]}

机构：

[1] Hokkaido Univ, Dept Appl Phys, Grad Sch Engn, Sapporo, Hokkaido 0608628, Japan

[2] Gifu Univ, Dept Elect & Elect Engn, Gifu 5011193, Japan

来源：

JOURNAL OF NON-CRYSTALLINE SOLIDS | 2018年 / 481卷

关键词：

Se; Photoinduced; Viscosity; GAMESS; Dangling bond; OPTICAL MICROFABRICATION; STRUCTURAL-CHANGE; MONTE-CARLO; DYNAMICS; VISCOSITY; SELENIUM; TRANSITION; RELAXATION; SIMULATION; POLYMERS;

D O I：

10.1016/j.jnoncrysol.2017.12.005

中图分类号：

TQ174 [陶瓷工业]; TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Atomic processes giving rise to the photoinduced fluidity have been studied for amorphous selenium. Ab initio molecular orbital calculations of Se clusters suggest that distorted atomic structures such as curled and intersecting chains have smaller optical gaps. Those atomic sites are likely to be excited by subgap (Urbach-edge) light, which undergo structural relaxation including bond breakages and interchanges. Such photo-electro-structural transformations could originate the macroscopic fluidity. Possibility of electronic glass-transition is also discussed.

引用

页码：579 / 584

页数：6

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