Abstract
A code for calculating the semi-classical thermoelectric and electronic transport properties is described. It uses the Landauer transport theory, which is equivalent to the Boltzmann theory, by introducing a central quantity-the distribution of modes. Its usage enables the so-called band-counting algorithm that can speed up the calculation and offers the potential to rapidly screen DFT band structures. Good agreements are found when comparing the results obtained using band-counting and established Fourier-based interpolation methods.
Connections
Explore this paper’s authors, topics and related work.
Building this map preview
BZPEER is loading the nearby papers, people, topics and institutions for this page.
Reviews 0
Write a review
No reviews yet.
Discussion 0
Add a comment
No comments yet.