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Pytest CI

This project is about plotting various standard properties of 2-dimensional tight-binding hamiltonians.

Keywords: computational condensed matter physics, Fermi surface, tight binding approximation, energy bands, cuprates, two-dimensional systems, many body physics

Create a virtual python environment

Due to tkinter dependency for plotting, using a conda environment is preferred. Install miniconda: https://docs.conda.io/en/latest/miniconda.html Then create a conda environment like:

conda env create -f ./conda_environment.yml
conda env activate fermi

Usage

import warnings
warnings.filterwarnings('ignore')
from tba import *
x = CuprateSingleBand()
x.plot_bands()
x.plot_Fermi_surface_contour()
x.filling_vs_energy()
# calculate charge susceptibility \chi_c
x.chic.plot_vs_q()

References

The following references are recommended for topics discussed in this repository:

  • Piers Coleman, Introduction to Many Body Physics, 2015, Cambridge University Press
  • Ashcroft & Mermin, Solid State Physics

List of Topics

Notation basics

Energy bands, Fermi Surface, Density of States

Susceptibility

Random Phase Approximation (RPA)

Generalized RPA (gRPA)

Models:

To-Do

  • Adaptive susceptibility plots using python adaptive or scikit-optimize
  • improve pytests, increase coverage
  • Documentation: migrate to Sphix Docs or github wiki
  • speed up integration via low-level callback functions

Contributing

Contributions are welcome, small or big. Create an issue to inquire or else fork this repo, and afterwards create a pull request.

Example Visuals



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advanced solid state physics calculations with tight binding models

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