Clusters of GaAs prepared by quantum mechanical DFT and the nanowire raman spectra
Indexed by WOS/ Scopus
Saved in:
| Main Authors: | , , |
|---|---|
| Other Authors: | |
| Format: | Article |
| Language: | English en_US |
| Published: |
Univ Kebangsaan Malaysia
2024
|
| Subjects: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1858062898144739328 |
|---|---|
| author | Ahmad Nazrul Rosli Kassim H.A. Shrivastava K.N. |
| author2 | Faculty of Science and Technology |
| author_facet | Faculty of Science and Technology Ahmad Nazrul Rosli Kassim H.A. Shrivastava K.N. |
| author_sort | Ahmad Nazrul Rosli |
| building | USIM Library |
| collection | Institutional Repository |
| content_provider | Universiti Sains Islam Malaysia |
| content_source | USIM Institutional Repository |
| continent | Asia |
| country | Malaysia |
| description | Indexed by WOS/ Scopus |
| format | Article |
| id | my.usim.oarep-9493 |
| institution | Universiti Sains Islam Malaysia |
| language | English en_US |
| publishDate | 2024 |
| publisher | Univ Kebangsaan Malaysia |
| record_format | dspace |
| spelling | my.usim.oarep-94932026-02-19T07:33:58Z Clusters of GaAs prepared by quantum mechanical DFT and the nanowire raman spectra Ahmad Nazrul Rosli Kassim H.A. Shrivastava K.N. Faculty of Science and Technology Universiti Sains Islam Malaysia (USIM) University of Malaya (UM) Cluster DFT GaAs Raman spectra Vibrational frequencies cluster analysis Fourier transform optimization quantum mechanics Raman spectroscopy vibration Indexed by WOS/ Scopus We studied the clusters of GaAs by using the density functional theory simulation to optimize the structure. We determined the binding energy, bond lengths, Fermi energy and vibrational frequencies for all of the clusters. We use the Raman data of nanowires of GaAs to compare our calculated values with the experimental values of the vibrational frequencies. The nanowire of GaAs gives a Raman line at 256 cm-1 whereas in the bipyramidal Ga 2As3 the calculated value is 256.33 cm-1. Similarly 285 cm-1 found in the experimental Raman data agrees with 286.21 cm-1 found in the values calculated for Ga2As 2 (linear) showing that linear bonds occur in the nanowire. The GaAs is found in two structures zinc-blend as well as wurtzite structures. In the nanowire mixed structures as well as clusters are formed. Final 2024-05-29T01:54:37Z 2024-05-29T01:54:37Z 2013 Article 0126-6039 2-s2.0-84892158373 WOS:000327586100019 https://www.scopus.com/inward/record.uri?eid=2-s2.0-84892158373&partnerID=40&md5=7ef2b7cb38d6315d6ba816fade933a2a https://www.ukm.my/jsm/pdf_files/SM-PDF-42-12-2013/19%20Ahmad%20Nazrul%20Rosli.pdf https://oarep.usim.edu.my/handle/123456789/9493 1811 1814 42 12 English en_US Sains Malaysiana application/pdf Univ Kebangsaan Malaysia Scopus |
| spellingShingle | Cluster DFT GaAs Raman spectra Vibrational frequencies cluster analysis Fourier transform optimization quantum mechanics Raman spectroscopy vibration Ahmad Nazrul Rosli Kassim H.A. Shrivastava K.N. Clusters of GaAs prepared by quantum mechanical DFT and the nanowire raman spectra |
| title | Clusters of GaAs prepared by quantum mechanical DFT and the nanowire raman spectra |
| title_full | Clusters of GaAs prepared by quantum mechanical DFT and the nanowire raman spectra |
| title_fullStr | Clusters of GaAs prepared by quantum mechanical DFT and the nanowire raman spectra |
| title_full_unstemmed | Clusters of GaAs prepared by quantum mechanical DFT and the nanowire raman spectra |
| title_short | Clusters of GaAs prepared by quantum mechanical DFT and the nanowire raman spectra |
| title_sort | clusters of gaas prepared by quantum mechanical dft and the nanowire raman spectra |
| topic | Cluster DFT GaAs Raman spectra Vibrational frequencies cluster analysis Fourier transform optimization quantum mechanics Raman spectroscopy vibration |
| url_provider | http://oarep.usim.edu.my/ |