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https://scholarbank.nus.edu.sg/handle/10635/98660
| Title: | Computational study on GaAs microclusters | Authors: | Boo, T.B. Kwong, H.H. Feng, Y.P. |
Keywords: | Ab initio Compositional variation Density-functional theory Electronic structure Gallium arsenide Molecular cluster Semiconductor |
Issue Date: | 2002 | Citation: | Boo, T.B.,Kwong, H.H.,Feng, Y.P. (2002). Computational study on GaAs microclusters. Key Engineering Materials 227 : 177-182. ScholarBank@NUS Repository. | Abstract: | We have theoretically investigated the compositional variation of the neutral GaxAsN-x (N=6,8,10,12,14) microclusters in their non-stoichiometric ratio. Ground-state structures of the clusters are explored using the ab initio density functional theory with generalized gradient approximation. Structural, electronic and optical properties of these clusters are presented together with their compositional dependency. | Source Title: | Key Engineering Materials | URI: | http://scholarbank.nus.edu.sg/handle/10635/98660 | ISSN: | 10139826 |
| Appears in Collections: | Staff Publications |
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