Dielectric function of silicon nanoclusters: role of hydrogen
Electronic and optical properties of small silicon quantum dots having 3 to 44 atoms per dot with and without surface passivation are investigated by computer simulation using the pseudo-potential approach. An empirical pseudo-potential Hamiltonian, a plane-wave basis expansion and a basic tetrahedr...
Saved in:
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Published: |
Institute of Physics Publishing Ltd.
2011
|
| Subjects: | |
| Online Access: | http://eprints.utm.my/id/eprint/44857/ http://dx.doi.org/10.1088/0256-307X/28/9/097801 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| id |
my.utm.44857 |
|---|---|
| record_format |
eprints |
| spelling |
my.utm.448572022-01-26T01:23:09Z http://eprints.utm.my/id/eprint/44857/ Dielectric function of silicon nanoclusters: role of hydrogen Kris, Ghoshal Sib Sahar, M. R. Rohani, M. S. TK Electrical engineering. Electronics Nuclear engineering Electronic and optical properties of small silicon quantum dots having 3 to 44 atoms per dot with and without surface passivation are investigated by computer simulation using the pseudo-potential approach. An empirical pseudo-potential Hamiltonian, a plane-wave basis expansion and a basic tetrahedral structure with undistorted local bonding configurations are used. The structures of the quantum dots are relaxed and optimized before and after hydrogen passivation. It is found that the gap increases more for a hydrogenated surface than the unpassivated one. Thus, both quantum confinement and surface passivation determine the optical and electronic properties of Si quantum dots. Visible luminescence is probably due to the radiative recombination of electrons and holes in the quantum-confined nanostructures. The effect of passivation of the surface dangling bonds by hydrogen atoms and the role of surface states on the gap energy is also examined. The results for the density of states, the dielectric function, the frequency dependent optical absorption cross section, the extinction coefficient and the static dielectric constants of the size are presented. The importance of the confinement and the role of surface passivation on the optical effects are discussed. Institute of Physics Publishing Ltd. 2011 Article PeerReviewed Kris, Ghoshal Sib and Sahar, M. R. and Rohani, M. S. (2011) Dielectric function of silicon nanoclusters: role of hydrogen. Chinese Physics Letters, 28 (9). ISSN 0256-307X http://dx.doi.org/10.1088/0256-307X/28/9/097801 DOI:10.1088/0256-307X/28/9/097801 |
| institution |
Universiti Teknologi Malaysia |
| building |
UTM Library |
| collection |
Institutional Repository |
| continent |
Asia |
| country |
Malaysia |
| content_provider |
Universiti Teknologi Malaysia |
| content_source |
UTM Institutional Repository |
| url_provider |
http://eprints.utm.my/ |
| topic |
TK Electrical engineering. Electronics Nuclear engineering |
| spellingShingle |
TK Electrical engineering. Electronics Nuclear engineering Kris, Ghoshal Sib Sahar, M. R. Rohani, M. S. Dielectric function of silicon nanoclusters: role of hydrogen |
| description |
Electronic and optical properties of small silicon quantum dots having 3 to 44 atoms per dot with and without surface passivation are investigated by computer simulation using the pseudo-potential approach. An empirical pseudo-potential Hamiltonian, a plane-wave basis expansion and a basic tetrahedral structure with undistorted local bonding configurations are used. The structures of the quantum dots are relaxed and optimized before and after hydrogen passivation. It is found that the gap increases more for a hydrogenated surface than the unpassivated one. Thus, both quantum confinement and surface passivation determine the optical and electronic properties of Si quantum dots. Visible luminescence is probably due to the radiative recombination of electrons and holes in the quantum-confined nanostructures. The effect of passivation of the surface dangling bonds by hydrogen atoms and the role of surface states on the gap energy is also examined. The results for the density of states, the dielectric function, the frequency dependent optical absorption cross section, the extinction coefficient and the static dielectric constants of the size are presented. The importance of the confinement and the role of surface passivation on the optical effects are discussed. |
| format |
Article |
| author |
Kris, Ghoshal Sib Sahar, M. R. Rohani, M. S. |
| author_facet |
Kris, Ghoshal Sib Sahar, M. R. Rohani, M. S. |
| author_sort |
Kris, Ghoshal Sib |
| title |
Dielectric function of silicon nanoclusters: role of hydrogen |
| title_short |
Dielectric function of silicon nanoclusters: role of hydrogen |
| title_full |
Dielectric function of silicon nanoclusters: role of hydrogen |
| title_fullStr |
Dielectric function of silicon nanoclusters: role of hydrogen |
| title_full_unstemmed |
Dielectric function of silicon nanoclusters: role of hydrogen |
| title_sort |
dielectric function of silicon nanoclusters: role of hydrogen |
| publisher |
Institute of Physics Publishing Ltd. |
| publishDate |
2011 |
| url |
http://eprints.utm.my/id/eprint/44857/ http://dx.doi.org/10.1088/0256-307X/28/9/097801 |
| _version_ |
1724073232610361344 |
| score |
13.211869 |