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Mechanism of photoinduced changes in the structure and optical properties of amorphous As2S3.

Abstract:

We propose a mechanism of photostructural changes in amorphous As2S3 ( a-As2S3) on the basis of ab initio molecular orbital calculations on clusters of atoms modeling the local structure of the amorphous system. We have found that trigonal AsS3 pyramidal units can be transformed into a fivefold coordinated As site having four As-S bonds and one As-As bond via a photoionization process. This photoinduced coordination defect center exhibits a lower photoabsorption energy as compared with the us...

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Publication status:
Published

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Publisher copy:
10.1103/physrevlett.85.3305

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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
Publisher:
American Inst of Physics
Journal:
Physical Review Letters
Volume:
85
Issue:
15
Pages:
3305-3308
Publication date:
2000-10-01
DOI:
EISSN:
1079-7114
ISSN:
0031-9007
Source identifiers:
52744
Language:
English
Pubs id:
pubs:52744
UUID:
uuid:2f76f288-1a21-4942-b252-4b5fd6b57df1
Local pid:
pubs:52744
Deposit date:
2013-11-17

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