| 查看: 1163 | 回复: 6 | |||
| 【悬赏金币】回答本帖问题，作者0702JJ将赠送您 5 个金币 | |||
[求助]
玻尔兹曼方程 已有2人参与
|
|||
|
请问可以在哪里看到用玻尔兹曼方程求解塞贝克系数、电导率，热导率的过程？有没有这种类型的文献，可以在哪里找呢？ 发自小木虫IOS客户端 |
回复此楼» 猜你喜欢
带资进组求博导收留
已经有14人回复
-
求个博导看看
已经有18人回复
-
自荐读博
已经有6人回复
-
投稿Elsevier的杂志（返修），总是在选择OA和subscription界面被踢皮球
已经有5人回复
-
青基代表作，AAAI之类的A会的special track在国内认可度高吗？还是归为workshop之流？
已经有3人回复
-
上海工程技术大学【激光智能制造】课题组招收硕士
已经有6人回复
-
上海工程技术大学张培磊教授团队招收博士生
已经有4人回复
-
求助院士们，这个如何合成呀
已经有4人回复
-
临港实验室与上科大联培博士招生1名
已经有9人回复
-
写了一篇“相变储能技术在冷库中应用”的论文，论文内容以实验为主，投什么期刊合适？
已经有6人回复
wangyikeco
木虫 (正式写手)
newbie
- 应助: 84 (初中生)
- 金币: 6720.5
- 帖子: 529
- 在线: 107.9小时
- 虫号: 25598800
- 注册: 2021-03-03
- 性别: GG
- 专业: 凝聚态物性 II ：电子结构
【答案】应助回帖
|
你试一试WIREN2k，塞贝克系数、电导率，热导率都可以算出来 https://wien2k.at/reg_user/unsupported/ TRACK by Antik Sihi and Sudhir K. Pandey. This Python 3 based code, named TRACK (TRAnsport properties for Correlated materials using Kubo formalism) computes the temperature dependent electrical conductivity, electronic part of thermal conductivity, Seebeck coefficient and Lorenz number by using DFT and DFT+DMFT electronic structure methods. In the present version, this code is interfaced with WIEN2k and eDMFTF codes. The work has been recently published in Computer Physics Communications 285, 108640 (2023). |
2楼2023-04-02 00:17:10
wangyikeco
木虫 (正式写手)
newbie
- 应助: 84 (初中生)
- 金币: 6720.5
- 帖子: 529
- 在线: 107.9小时
- 虫号: 25598800
- 注册: 2021-03-03
- 性别: GG
- 专业: 凝聚态物性 II ：电子结构
【答案】应助回帖
|
BoltzTraP2 by G.Madsen. This program calculates semiclassical transport (thermoelectric transport coefficients as functions of temperature and chemical potential in the rigid-band picture) based on a smooth Fourier interpolation of bands. It is the more modern implementation of the previous BoltzTraP code. BoltzTraP2 BoltzTraP2 is a modern implementation of the smoothed Fourier interpolation algorithm for electronic bands that formed the base of the original and widely used BoltzTraP code. One of the most typical uses of BoltzTraP is the calculation of thermoelectric transport coefficients as functions of temperature and chemical potential in the rigid-band picture. However, many other features are available, including 3D plots of Fermi surfaces based on the reconstructed bands. For more information, check out the BoltzTraP2 article, opens an external URL in a new window and the online manual. BoltzTraP2, a program for interpolating band structures and calculating semi-classical transport coefficients☆ Author: Georg K.H. Madsen, Jesús Carrete, Matthieu J. Verstraete Computer Physics Communications Volume 231, October 2018, Pages 140-145 Computer Physics Communications |
3楼2023-04-02 05:31:22
4楼2023-04-03 16:23:11
5楼2023-04-03 16:24:45
rlafite
木虫 (正式写手)
- 应助: 183 (高中生)
- 金币: 9488.1
- 红花: 28
- 沙发: 1
- 帖子: 848
- 在线: 332.8小时
- 虫号: 4563202
- 注册: 2016-04-02
- 性别: GG
- 专业: 同步辐射技术及其应用
6楼2023-04-03 21:40:00
wangyikeco
木虫 (正式写手)
newbie
- 应助: 84 (初中生)
- 金币: 6720.5
- 帖子: 529
- 在线: 107.9小时
- 虫号: 25598800
- 注册: 2021-03-03
- 性别: GG
- 专业: 凝聚态物性 II ：电子结构
7楼2023-04-03 21:43:53