Title: Electron scattering in graphene by accurately modeled lattice defects
Other Titles: Elektronenstreuung in Graphene an akkurat modelierten Gitterdefekten
Language: English
Authors: Linhart, Lukas 
Qualification level: Diploma
Advisor: Burgdörfer, Joachim 
Assisting Advisor: Libisch, Florian 
Issue Date: 2016
Linhart, L. (2016). Electron scattering in graphene by accurately modeled lattice defects [Diploma Thesis, Technische Universität Wien]. reposiTUm. https://resolver.obvsg.at/urn:nbn:at:at-ubtuw:1-92055
Number of Pages: 66
Qualification level: Diploma
Defects strongly influence the electronic properties of graphene. It is of importance to get a deeper insight into the influence that defects have on electron transport. In this work we accurately model defect structures with density functional theory. We obtain tight-binding parameters via transforming the results into the basis of maximally localized Wannier orbitals. We can then treat large-scale structures with defects using a highly efficient tight-binding approach. To combine the defect structure calculations with the surrounding lattice, we present a new embedding technique that is applicable to a wide range of zero-dimensional defects. This technique defines a transition region between the tight-binding parameters of the bulk lattice and those obtained for the defect structure. To test our technique we model an experimental setup currently investigated at the University of Vienna. Our approach turns out to be applicable to a broad range of defects. Calculations were conducted for Stone-Wales defects, flower defects, double vacancies and silicon substitutes. The scattering at these defects could be investigated in detail for a wide range of energies. We find robust backscattering signatures of the defect symmetries that can be explained by the band structure of graphene.
Keywords: Graphene; Quantentransport
Graphene; Quantum transport
URI: https://resolver.obvsg.at/urn:nbn:at:at-ubtuw:1-92055
Library ID: AC13384344
Organisation: E136 - Institut für Theoretische Physik 
Publication Type: Thesis
Appears in Collections:Thesis

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