# Roles of Carrier Doping, Band Gap, and Electron Relaxation Time in the Boltzmann Transport Calculations of a Semiconductor’s Thermoelectric Properties

https://mdr.nims.go.jp/datasets/c4c015ad-8671-4290-a96a-e940933edf0b

## File

- [59_E-M2018813.pdf](https://mdr.nims.go.jp/filesets/1a67ad7c-58f8-406e-b5a9-e266f381fd5c/download) ([Detail](https://mdr.nims.go.jp/filesets/1a67ad7c-58f8-406e-b5a9-e266f381fd5c.md))

## Id

c4c015ad-8671-4290-a96a-e940933edf0b

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2024-09-05T08:27:43.037687Z

## Updated at

2024-11-22T07:30:51.239326Z

## Published at

2024-11-22T07:30:51.314493Z

## Doi



## First published url

https://doi.org/10.2320/matertrans.e-m2018813

## Date published

2018-07-01

## Recorded date published

2018

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: Roles of Carrier Doping, Band Gap, and Electron Relaxation Time in the Boltzmann
    Transport Calculations of a Semiconductor’s Thermoelectric Properties
  title_type: original
  lang: en

## Description

- description: 第一原理計算による熱電特性予測の需要が高まっているが、ボルツマン輸送計算には様々な誤差が含まれる。典型的な半導体（Si）について、バンドギャップ、電子緩和時間、フォノン熱伝導度を変化させて解析を行った。バイポーラー伝導はゼーベック係数の低下とローレンツ因子の増加によりzTを大きく低下させるため、高いzTには十分な大きさのバンドギャップが重要である。第一原理計算でよく見られるバンドギャップの過小評価は、狭ギャップ半導体の計算に大きな誤差をもたらす。また、高いzTには低いフォノン熱伝導度と電子緩和時間の比が必要で、電子緩和時間は温度や試料により10^-15から10^-14秒の範囲で変化することが分かった。
  description_type: abstract
  lang: und

## Creator

- name: Yukari Katsura
  role: author
  orcid: https://orcid.org/0000-0002-8905-2995
  organization: National Institute for Materials Science
- name: Hidenori Takagi
  role: author
- name: Kaoru Kimura
  role: author

## Contact agent



## Publisher

organization: 'The Japan Institute of Metals and Materials '

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## Keyword

- subject: thermoelectric properties
  schema: not_defined
- subject: Boltzmann transport calculation
  schema: not_defined
- subject: first-principles calculation
  schema: not_defined

## Rights

- identifier: http://rightsstatements.org/vocab/InC/1.0/

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## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: MATERIALS TRANSACTIONS
  issn: '13475320'
  volume: '59'
  issue: '7'
  start_page: 1013
  end_page: 1021

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## Funding

- identifier: 16K14379
  funder_name: Ministry of Education, Culture, Sports, Science and Technology (MEXT)
  description: A large-scale high dimensional material property database by a literature
    data collection system
- identifier: '23760647'
  funder_name: Ministry of Education, Culture, Sports, Science and Technology (MEXT)
  description: A large-scale high dimensional material property database by a literature
    data collection system
- funder_name: Japan Science and Technology Agency (JST)
  description: "Support Program for Starting Up Innovation Hub\r\nMI2I (Materials
    research by Information Integration Initiative)"

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## Fileset

- id: 1a67ad7c-58f8-406e-b5a9-e266f381fd5c
  filename: 59_E-M2018813.pdf
  content_type: application/pdf
  size: 1043510
  md5: 6469c763d2dbf8e2ca2af176c6c7f0d0

## Thumbnail

fileset_id: 1a67ad7c-58f8-406e-b5a9-e266f381fd5c
filename: 59_E-M2018813.pdf