Search for dissertations about: "NEGF"
Showing result 1 - 5 of 6 swedish dissertations containing the word NEGF.
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1. Molecular Electronics : Insight from Ab-Initio Transport Simulations
Abstract : This thesis presents the theoretical studies of electronic transport in molecular electronic devices. Such devices have been proposed and investigated as a promising new approach that complements conventional silicon-based electronics. READ MORE
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2. Analytical and Numerical Developments in Strongly Correlated Systems: Perspectives from TDDFT and Green's Functions
Abstract : This thesis investigates different methods for treating strongly correlated systems, and discusses their respective strengths and weaknesses. Many of the results presented in this thesis come from comparing the different methods and approximations to exact results. READ MORE
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3. Modeling of non-equilibrium scanning probe microscopy
Abstract : The work in this thesis is basically divided into two related but separate investigations.The first part treats simple chemical reactions of adsorbate molecules on metallic surfaces, induced by means of a scanning tunneling probe (STM). The investigation serves as a parameter free extension to existing theories. READ MORE
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4. Electron and Spin Transport in Graphene-Based Nanodevices
Abstract : This thesis is devoted to the multi-scale modeling of electron and spin transport in graphene-based nanodevices. Several devices with fascinating structures and attractive properties have been designed by means of state-of-the-art computational methods, which include ab-initio molecular dynamics (MD) simulations for the geometry, density functional theory (DFT) for the electronic structure, and non-equilibrium Green’s functions (NEGF) for carriers transport properties. READ MORE
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5. Theoretical studies of a nanoparticle bridge platform for molecular electronics measurements
Abstract : The main focus of this thesis is the theoretical investigations of a nanogap platform used for molecular electronics measurements under ambient conditions. The nanogap is about 20 nm wide, while the molecules investigated here (octanethiol(OT) and octanedithiol(ODT)) are about 1-1.5 nm long making it impossible to bridge the gap with one molecule. READ MORE