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First-principles study of the dependence of silicon electronic transport properties on the crystallographic growth

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dc.contributor Cirera Hernández, Albert
dc.contributor Prades García, Juan Daniel
dc.contributor Universitat de Barcelona
dc.creator García Castelló, Núria
dc.date 2010-12-03T13:33:07Z
dc.date 2010-12-03T13:33:07Z
dc.date 2010-12-03T13:33:07Z
dc.date.accessioned 2024-12-16T10:25:42Z
dc.date.available 2024-12-16T10:25:42Z
dc.identifier http://hdl.handle.net/2445/14722
dc.identifier.uri http://fima-docencia.ub.edu:8080/xmlui/handle/123456789/19888
dc.description Màster en Nanociència i Nanotecnologia
dc.description Differences in the electronic transport properties of two polymorphs of bulk silicon due to the crystallographic direction are investigated theoretically. The calculations are performed in two steps: first an optimized geometry for two polymorphs of silicon (cubic diamond and hexagonal diamond) is obtained using DFT calculations, and then the transport relations of four directions (<001>, <110> and <111> for diamond and <001> for hexagonal) are obtained using NEGF approach. SIESTA and TranSIESTA simulation codes are used in the calculations correspondingly. The electrodes are chosen to be the same as the central region where transport is studied, eliminating current quantization effects due to contacts and focusing the electronic transport study to the intrinsic structure of the material. By varying chemical potential in the electrode regions, an I-V curve is traced for each particular configuration. Conductance in silicon bulk shows certain dependence in the crystallographic direction, in agreement with the different behavior of silicon nanowires due to their growth direction. The study of electronic and transport properties in silicon nanowires is interesting because they are promising candidates as bridging pieces in nanoelectronics.
dc.format 8 p.
dc.format application/pdf
dc.language eng
dc.rights cc-by (c) García Castelló, 2010
dc.rights http://creativecommons.org/licenses/by/3.0/
dc.rights info:eu-repo/semantics/openAccess
dc.source Màster Oficial - Nanociència i Nanotecnologia
dc.subject Nanotecnologia
dc.subject Cristal·lografia
dc.subject Silici
dc.subject Treballs de fi de màster
dc.subject Nanotechnology
dc.subject Crystallography
dc.subject Silicon
dc.subject Master's theses
dc.title First-principles study of the dependence of silicon electronic transport properties on the crystallographic growth
dc.type info:eu-repo/semantics/masterThesis


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