刘鹏飞的个人博客分享 http://blog.sciencenet.cn/u/pfliu89

博文

Calculating Effective Mass for Semiconductors

已有 7321 次阅读 2018-2-4 11:08 |个人分类:Electrons|系统分类:科研笔记

1. EMC

Effective mass calculator (EMC) implements calculation of the effective masses at the bands extrema using finite difference method (not the band fitting method). There are two versions of the program: written in FORTRAN and Python. Currently CRYSTAL, VASP, CASTEP are supported!

https://github.com/afonari/emc

2. Effective Mass Theory

Calculate simple semiconductor properties from effective mass theory using python!

https://github.com/WMD-group/effectivemasstheory

3. Effective Mass

A simple Python script used to calculate effective masses automatically.

https://github.com/liujiacode/EffectiveMass

4. Effmass

effmass is a Python package for calculating various definitions of effective mass from the electronic bandstructure of a semiconducting material. It consists of a core class that calculates the effective mass and other associated properties of selected bandstructure segments. The module also contains functions for locating bandstructure extrema and plotting approximations to the dispersion.

https://github.com/lucydot/effmass



https://blog.sciencenet.cn/blog-3352196-1098381.html

上一篇:10. Quantum-ESPRESSO之能带计算
下一篇:Quantum-ESPRESSO计算注意事项!
收藏 IP: 202.38.129.*| 热度|

0

该博文允许注册用户评论 请点击登录 评论 (0 个评论)

数据加载中...

Archiver|手机版|科学网 ( 京ICP备07017567号-12 )

GMT+8, 2024-12-22 11:53

Powered by ScienceNet.cn

Copyright © 2007- 中国科学报社

返回顶部