How to analyse a density of states

被引:66
|
作者
Toriyama, Michael Y. [1 ]
Ganose, Alex M. [2 ]
Dylla, Maxwell [1 ]
Anand, Shashwat [1 ]
Park, Junsoo [2 ]
Brod, Madison K. [1 ]
Munro, Jason M. [3 ]
Persson, Kristin A. [4 ,5 ]
Jain, Anubhav [2 ]
Snyder, G. Jeffrey [1 ]
机构
[1] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA
[2] Lawrence Berkeley Natl Lab, Energy Technol Area, Berkeley, CA 94720 USA
[3] Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA
[4] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA
[5] Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA
来源
基金
美国能源部;
关键词
Density of states; Electronic structure; Electronic properties; Electrical transport; ELECTRON-TRANSPORT;
D O I
10.1016/j.mtelec.2022.100002
中图分类号
TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
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 calculations are necessary to obtain even a sufficient-quality density of states exhibiting fine features of the electronic structure.
引用
收藏
页数:4
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