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：

MATERIALS TODAY ELECTRONICS | 2022年 / 1卷

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

页数：4

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