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dc.contributor.advisor | Cosby, Ronald M. | en_US |
dc.contributor.author | Vasthari, Sudhendra | en_US |
dc.date.accessioned | 2011-06-03T19:40:09Z | |
dc.date.available | 2011-06-03T19:40:09Z | |
dc.date.created | 2007 | en_US |
dc.date.issued | 2007 | |
dc.identifier | LD2489.Z9 2007 .V37 | en_US |
dc.identifier.uri | http://cardinalscholar.bsu.edu/handle/handle/187698 | |
dc.description.abstract | The electronic structure is determined for different carbon structures like carbon six chain, infinite graphene sheet, and different nanotubes. Electron transport properties of bare metallic carbon nanotubes (CNT) and a CNT with a single Barium atom are studied using the software Virtual NanoLab (VNL) and Atomistix ToolKit (ATK). The software combines advanced numerical methods, such as non-equilibrium Green's functions (NEGF) and density functional theory (DFT), to describe the detailed electronic structure of these carbon structures. Advanced numerical algorithms enable the application of a bias voltage across the structure, as well as the calculation and analysis of current-voltage characteristics of two-probe nanotubes.NanoLanguage scripts are written to generate and calculate the current for a two-probe bare CNT and a CNT with a single Barium atom. The currents thus obtained for different voltages are imported into Poly Software International (PSI) Plot spreadsheet and the current-voltage curves are plotted and compared for both the CNTs. The data is further analyzed and differential conductance is calculated and plotted for comparison. The current-voltage (IV) curves exhibit linearity for low voltages. Above a critical voltage, the IV curves flatten and exhibit features where sharp changes occur in the differential conductance. Adding a single Barium atom dramatically affects the conductance of the carbon nanotubes. | en_US |
dc.description.sponsorship | Department of Physics and Astronomy | |
dc.format.extent | vi, 76 leaves : ill. (chiefly col.) ; 28 cm. | en_US |
dc.source | Virtual Press | en_US |
dc.subject.lcsh | Carbon -- Electric properties -- Computer simulation. | en_US |
dc.subject.lcsh | Carbon -- Transport properties -- Computer simulation. | en_US |
dc.subject.lcsh | Nanotubes -- Computer simulation. | en_US |
dc.title | Electronic and transport properties of carbon structures | en_US |
dc.type | Research paper (M.A.), 3 hrs. | en_US |
dc.description.degree | Thesis (M.A.) | en_US |
dc.identifier.cardcat-url | http://liblink.bsu.edu/catkey/1380845 | en_US |
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