DFT calculation of vibrations in the clusters of zinc and oxygen atoms
The nanometer size clusters are often present in ZnO. We have calculated the vibrational frequencies of zinc oxide by using the density-functional theory. We synthesized clusters of ZnO starting with ZnOn and continue with Zn2On, Zn3On and Zn4On with n = 1, 2, 3 and 4. By minimizing the energy of th...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Universiti Kebangsaan Malaysia
2013
|
| Online Access: | http://journalarticle.ukm.my/6159/1/13_Ahmad_Nazrul.pdf |