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.