elecboltz 0.5.5

Boltzmann transport for conductivity of materials using an FEM

FEM for Boltzmann Transport Conductivity

Conductivity calculated using Boltzmann Transport theory, using a Finite Element Method (FEM). In addition to arbitrary Fermi surfaces, arbitrary scattering kernels are also supported.

Developed and maintained by the Grissonnanche group. Based on a method proposed by Chaitanya Murthy.

Installation

pip install elecboltz

Usage

Here is a minimal example for a simple free electron system.

import elecboltz

band = elecboltz.BandStructure(
    dispersion="kx**2 + ky**2", chemical_potential=1.0,
    unit_cell=(2*np.pi, 2*np.pi, 2*np.pi), periodic=2)
band.discretize()

cond = elecboltz.Conductivity(
    band=band, scattering=1.0, field=(1.0, 2.0, 3.0))
sigma = cond.solve()
print(sigma)

Documentation

The documentation is available at elecboltz.readthedocs.io.