Please use this identifier to cite or link to this item:
https://doi.org/10.1016/S0010-4655(01)00348-4
DC Field | Value | |
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dc.title | Composition dependent properties of GaAs clusters | |
dc.contributor.author | Kwong, H.H. | |
dc.contributor.author | Feng, Y.P. | |
dc.contributor.author | Boo, T.B. | |
dc.date.accessioned | 2014-10-16T09:49:52Z | |
dc.date.available | 2014-10-16T09:49:52Z | |
dc.date.issued | 2001-12-15 | |
dc.identifier.citation | Kwong, H.H., Feng, Y.P., Boo, T.B. (2001-12-15). Composition dependent properties of GaAs clusters. Computer Physics Communications 142 (1-3) : 290-294. ScholarBank@NUS Repository. https://doi.org/10.1016/S0010-4655(01)00348-4 | |
dc.identifier.issn | 00104655 | |
dc.identifier.uri | http://scholarbank.nus.edu.sg/handle/10635/98658 | |
dc.description.abstract | We used a combination of first principles electronic structure calculation and semi-empirical methods to study the composition dependence of physical properties of small and medium sized GaAs clusters. Structures and physical properties of Ga10-nAsn (n = 0, 1, 2, ..., 10) clusters were determined using the ab initio Hartree-Fock method, with the STO-3G basis set. It was found that the structures of these clusters strongly depend on the composition and generally As-rich clusters are more stable than Ga-rich clusters. The dipole moment, HOMO-LUMO gap, vertical ionization energy, vertical electron affinity also depend on composition of the clusters and show an even/odd alteration with the number of Ga atoms (or As atoms) in the cluster. © 2001 Elsevier Science B.V. All rights reserved. | |
dc.description.uri | http://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1016/S0010-4655(01)00348-4 | |
dc.source | Scopus | |
dc.subject | Ab initio calculations | |
dc.subject | Cluster | |
dc.subject | Electronic structure | |
dc.subject | GaAs | |
dc.subject | Nanoparticles | |
dc.subject | Semiconductor | |
dc.type | Conference Paper | |
dc.contributor.department | PHYSICS | |
dc.description.doi | 10.1016/S0010-4655(01)00348-4 | |
dc.description.sourcetitle | Computer Physics Communications | |
dc.description.volume | 142 | |
dc.description.issue | 1-3 | |
dc.description.page | 290-294 | |
dc.description.coden | CPHCB | |
dc.identifier.isiut | 000173099200056 | |
Appears in Collections: | Staff Publications |
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