期刊
JOURNAL OF NON-CRYSTALLINE SOLIDS
卷 338, 期 -, 页码 557-560出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.jnoncrysol.2004.03.041
关键词
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Tight-binding molecular dynamics simulations of photo-excitations in small Se clusters (isolated Se-8 ring and helical Se chain) and glassy Se networks (containing 162 atoms) were carried out in order to analyze the photo-induced instability in amorphous selenium. In the cluster systems after taking an electron from the highest occupied molecular orbital to the lowest unoccupied molecular orbital a bond breaking occurs. In the glassy networks photo-induced volume expansion was observed and at the same time the number of coordination defects changed significantly due to illumination. (C) 2004 Elsevier B.V. All rights reserved.
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