How to analyse a density of states

• DOI: 10.1016/j.mtelec.2022.100002
• Publication Date: 2022-06-10T16:12:11Z
• Authors: Michael Y. Toriyama; Alex M. Ganose; Maxwell Dylla; Shashwat Anand; Junsoo Park; Madison K. Brod; Jason M. Munro; Kristin A. Persson; Anubhav Jain; G. Jeffrey Snyder
• Keywords: Density of states; Van Hove singularity

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