Density Functional Study of Electronic and Structural Properties of Gold-Cadmium Selenide/Telluride Nanoclusters
Semiconductor nanowires are one class of building blocks that show promise for application in nanoscale electronics. Metal-semiconductor nanowire helps to improve the electrical properties or create unique ones. Electronic and structural properties of cadmium selenide/telluride connected to gold ele...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Wiley
2015-01-01
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| Series: | Advances in Materials Science and Engineering |
| Online Access: | http://dx.doi.org/10.1155/2015/847693 |
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| Summary: | Semiconductor nanowires are one class of building blocks that show promise for application
in nanoscale electronics. Metal-semiconductor nanowire helps to improve the electrical properties or
create unique ones. Electronic and structural properties of cadmium selenide/telluride connected to gold
electrode clusters have been the focus of this research due to their importance in constructing fast
microelectric devices. The simulations were carried out by using VASP (Vienna Ab-Initio Simulation
Package) which utilizes the method of density functional theory (DFT) and plane wave basis set. Optimization was performed to obtain the minimum energy structure. In this research paper the result
shows that the HOMO-LUMO gaps for the minimum energy cadmium selenide/telluride connected to
gold electrodes decrease as cluster size increases, whereas the binding energy shows a reverse relationship with the cluster size. However, a few clusters show special properties like AuCd2Se3 and AuCd2Te3 clusters. |
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| ISSN: | 1687-8434 1687-8442 |