AMSET: ab initio scattering and transport

Introduction

AMSET is an efficient package for calculating electron lifetimes and transport properties in solid-state materials from first principles. A primary aim of AMSET is to be amenable to high-throughput computational screening. Features of AMSET include:

  • Inputs obtainable from first-principles calculations. The primary input for AMSET is an uniform band structure calculation.
  • Scattering rates calculated in the Born approximation using common materials properties such as phonon frequencies and dielectric constants.
  • Transport properties calculated through the iterative Boltzmann transport equation.
  • Efficient implementation that can run on a personal laptop.

Supported ab initio codes

Currently, AMSET only supports VASP calculations, however, additional periodic DFT codes will be added in the future.

Scattering Mechanisms

The scattering mechanisms currently implemented in AMSET are:

  • Acoustic deformation potential scattering
  • Ionized impurity scattering
  • Polar optical phonon scattering
  • Piezoelectric scattering

More information on the formalism for each scattering mechanism is available in the scattering section of the documentation.

What's new?

Track changes to AMSET through the changelog.

Contributing / Contact / Support

Want to see something added or changed? Some ways to get involved are:

  • Help us improve the documentation – tell us where you got stuck and improve the install process for everyone.
  • Let us know if you'd like to see certain features.
  • Point us to areas of the code that are difficult to understand or use.
  • Contribute code. You can do this by forking AMSET on Github and submitting a pull request.

The list of contributors to AMSET can be found here. Read more about contributing code to AMSET here.