fuNEGF 0.1.8

A package for NEGF calculations

Non-Equillibrium Green’s Functions solvers and examples for educational purposes. Limited to a 1D linear chain for now. See the [documentation](https://liborsold.github.io/fuNEGF/).

Install with ```pip install fuNEGF``` from the [project’s PyPI repository](https://pypi.org/project/fuNEGF/).

## Structure * the `LinearChain` class including the NEGF routines resides in `src/fuNEGF/models.py` * a Jupyter notebook `src/examples/one-dimensional_channel.ipynb` contains the linear chain case study with the underlying physics explained * a Jupyter notebok `src/examples/time_complexity.ipynb` contains a time complexity study of constructing the model $mathcal{O}(N)$ and calculating the transmission coefficient $mathcal{O}(N^2)$

## Example A linear chain with a single or multiple on-site potential impurities will present a chemical potential (occupation) drop, which may not be apparent unless a phase relaxation is included, as shown below. An additional momentum relaxation will cause a non-zero chemical potential slope in between the impurity regions. The complete description and calculation are provided in the `src/examples/one-dimensional_channel.ipynb` notebook.


## Features * object-oriented * with automatically generated [online documentation](https://liborsold.github.io/fuNEGF/) * PEP8-compliant * including unit tests

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