Code Accompanying the Doctoral Dissertation: Theory of Chirality Induced Spin Selectivity in Two Terminal Transport
Code accompanying the Doctoral Dissertation of Karssien Hero Huisman. The code (dataset) aims to reproduce the figures in chapters 2-5 of the dissertation. Each chapter has a corresponding .zip file(s). The code in the .zip files are used in the following chapters (also see READ_ME_thesis.rtf): Chapter 2: CISS_effect.zipChapter 3: CISS_CoulombInteraction.zipChapter 3,Appendix: Nearest_Neigbour_Coulomb.zipChapter 4: Coulomb_Bipartite.zipChapter 5: VibrationalModes_Troisi_Compact.zip Each .zip file contains : jupyternotebook (.ipynb) and (.py) files and a READ_ME file. The research objective is to calculate the currents for opposite magnetizations of the leads. ( chapters 2-5). In order to do that we calculate: i) Transmission coefficients (spin-dependent) with the non-equilibrium Green's function technique. (chapters 2-5) ii) The chemical potential of the voltage probe (chapter 2). iii) The electron density for systems where Coulomb interactions are present is self-consistently calculated. (chapters 3 & 4) iv) The inelastic transmission due to vibrational modes (chapters 5) We thus perform a numerical, theoretical study.
Onsager reciprocity, Büttiker reciprocity, Voltage probes, Coulomb interactions, Mean-field theory, (non-)collinear Hubbard one approximation, Vibrational modes, Spin-orbit coupling, Stray fields, Chirality Induced Spin Selectivity