Michael Y. Toriyama, A. Ganose, M. Dylla, Shashwat Anand, Junsoo Park, M. Brod, Jason M. Munro, K. Persson, Anubhav Jain, G. J. Snyder

2022.5.1Materials Today Electronics

DOI: 10.1016/j.mtelec.2022.100002

Abstract

The density of states of electrons is a simple, yet highly-informative, summary of the electronic structure of a material. Here, some remarkable features of the electronic structure that are perceptible from the density of states are concisely reviewed, notably the analytical 𝐸 vs. 𝑘 dispersion relation near the band edges, effective mass, Van Hove singularities, and the effective dimensionality of the electrons, all of which have a strong influence on physical properties of materials. We emphasize that appropriate parameters in electronic structure calcula- tions are necessary to obtain even a sufficient-quality density of states exhibiting fine features of the electronic structure.

Citation format

TORIYAMA, Michael Y., et al. How to analyse a density of states. Materials Today Electronics, 2022.