Litcius/Paper detail

IFermi: A python library for Fermi surface generation and analysis

Alex M. Ganose, Amy Searle, Anubhav Jain, Sinéad M. Griffin

2021The Journal of Open Source Software75 citationsDOIOpen Access PDF

Abstract

The Fermi surface is an important tool for understanding the electronic, optical, and magnetic properties of metals and doped semiconductors It defines the surface in reciprocal space that divides unoccupied and occupied states at zero temperature. The topology of the Fermi surface impacts a variety of quantum phenomena including superconductivity, topological insulation, and ferromagnetism, and it can be used to predict the complex behaviour of systems without requiring more detailed computations. For example: (i) large nested Fermi sheets are a characteristic of charge density ordering IFermi is a Python library for the generation, analysis, and visualisation of Fermi surfaces that can facilitate sophisticated analyses of Fermi surface properties.

Topics & Concepts

Python (programming language)Computer scienceProgramming languageMachine Learning in Materials ScienceSurface and Thin Film Phenomena2D Materials and Applications