Mechanisms of photoinduced fluidity in chalcogenide glasses: Molecular orbital analyses


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Please use this identifier to cite or link to this item:http://hdl.handle.net/2115/76642

Title:	Mechanisms of photoinduced fluidity in chalcogenide glasses: Molecular orbital analyses
Authors:	Tanaka, Keiji Browse this author →KAKEN DB
Authors:	Shimakawa, Koichi Browse this author
Keywords:	Se
	Photoinduced
	Viscosity
	GAMESS
	Dangling bond
Issue Date:	1-Feb-2018
Publisher:	Elsevier
Journal Title:	Journal of Non-Crystalline Solids
Volume:	481
Start Page:	579
End Page:	584
Publisher DOI:	10.1016/j.jnoncrysol.2017.12.005
Abstract:	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.
Rights:	© 2018. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/
Rights:	http://creativecommons.org/licenses/by-nc-nd/4.0/
Type:	article (author version)
URI:	http://hdl.handle.net/2115/76642
Appears in Collections:	工学院・工学研究院 (Graduate School of Engineering / Faculty of Engineering) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)

Submitter: 田中啓司

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