Uchino, T;
Clary, DC;
Elliott, SR;
(2000)
Mechanism of photoinduced changes in the structure and optical properties of amorphous As2S3.
Physical Review Letters
, 85
(15)
3305 - 3308.
10.1103/PhysRevLett.85.3305.
![[thumbnail of 188278.pdf]](https://discovery.ucl.ac.uk/style/images/fileicons/application_pdf.png) Preview |
PDF
188278.pdf Download (121kB) |
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 usual pyramidal structure, explaining the observed photodarkening effect of a-As2S3
| Type: | Article |
|---|---|
| Title: | Mechanism of photoinduced changes in the structure and optical properties of amorphous As2S3 |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1103/PhysRevLett.85.3305 |
| Publisher version: | http://dx.doi.org/10.1103/PhysRevLett.85.3305 |
| Language: | English |
| Additional information: | © 2000 The American Physical Society Journal Article OCT 9 362ZH Uchino T Kyoto Univ, Inst Chem Res, Uji, Kyoto 6110011, Japan PHYS REV LETT |
| Keywords: | AB-INITIO, As, ATOMS, BASIS-SETS, BOND, BONDS, CHALCOGENIDE GLASSES, CLUSTER, CLUSTERS, DEFECTS, energy, FILMS, Japan, local, MECHANISM, MOLECULAR-ORBITAL CALCULATIONS, PARAMAGNETIC STATES, PHYS, process, processes, SEMICONDUCTORS, SILICA, SITE, Structure, SYSTEM |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences |
| URI: | https://discovery.ucl.ac.uk/id/eprint/188278 |
Archive Staff Only
 |
View Item |
