# Unexpected p-type thermoelectric transport arising from magnetic Mn substitution in Fe<sub>2</sub>V<sub>1−<i>x</i></sub>Mn<sub>  <i>x</i></sub>Al Heusler compounds

https://mdr.nims.go.jp/datasets/5226ad7d-072b-4919-8e65-4bd5b539c951

## File

- [Journal of Materials Chemistry C-Unexpected p-type thermoelectric transport arising from magnetic Mn substitution in Fe2V1-xMnxAl Heusler compounds.pdf](https://mdr.nims.go.jp/filesets/c0e3ef70-97bd-469b-aaa8-4f5e6a3fd72e/download) ([Detail](https://mdr.nims.go.jp/filesets/c0e3ef70-97bd-469b-aaa8-4f5e6a3fd72e.md))

## Id

5226ad7d-072b-4919-8e65-4bd5b539c951

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2024-10-05T11:20:21.742200Z

## Updated at

2024-10-07T05:41:51.492602Z

## Published at

2024-10-07T05:41:51.550863Z

## Doi



## First published url

https://doi.org/10.1039/d4tc00779d

## Date published

2024-05-23

## Recorded date published

2024-6-20

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: Unexpected p-type thermoelectric transport arising from magnetic Mn substitution
    in Fe<sub>2</sub>V<sub>1−<i>x</i></sub>Mn<sub><i>x</i></sub>Al Heusler compounds
  title_type: original
  lang: en

## Description

- description: P-type Fe2VAl-based thermoelectrics have been much less investigated
    compared to their respective n-type counterparts. Thus, it is crucial to identify
    novel doping strategies to realize enhanced p-type Fe2VAl Heusler compounds. In
    the current study, the effect of Mn substitution in Fe2V1-xMnxAl is investigated
    with respect to temperature-dependent electronic transport as well as temperature-
    and field-dependent magnetic properties. We find an anomalous and unexpected p-type
    Seebeck coefficient for nominally n-doped Fe2V1-xMnxAl over an extremely large
    range of concentrations up to x=0.6. Using density functional theory (DFT) calculations,
    this is traced back to distinct modifications of the electronic structure, i.e.,
    localized magnetic defect states (m=2.43 μB) at the valence and conduction band
    edges, and a concomitant pinning of the Fermi level within the pseudogap. Furthermore,
    we were able to further optimize the thermoelectric properties by co-doping Al
    antisites in off-stoichiometric Fe2V0.9Mn0.1Al1+y, yielding sizeable values of
    the power factor, PF = 2.2 mWK-2m-1 in Fe2V0.9Mn0.1Al1.1 at 350 K, and figure
    of merit, ZT~ 0.1 for highly off-stoichiometric Fe2V0.9Mn0.1Al1.5 at T = 500 K.
    Our work underlines the prospect of engineering Fe2VAl-based Heusler compounds
    via magnetic doping to realize enhanced p-type thermoelectris and encourages studies
    involving other types of co-substitution for Mn-substituted Fe2V1-xMnxAl.
  description_type: abstract
  lang: und

## Creator

- name: Rajveer Jha
  role: author
  orcid: https://orcid.org/0000-0002-9481-8705
  organization: National Institute for Materials Science
- name: Naohito Tsujii
  role: author
  orcid: https://orcid.org/0000-0002-6181-5911
  organization: National Institute for Materials Science
- name: Fabian Garmroudi
  role: author
- name: Sergii Khmelevskyi
  role: author
- name: Ernst Bauer
  role: author
- name: Takao Mori
  role: author
  orcid: https://orcid.org/0000-0003-2682-1846
  organization: National Institute for Materials Science

## Contact agent



## Publisher

organization: Royal Society of Chemistry (RSC)

## Managing organization



## Keyword

- subject: thermoelectric
  schema: not_defined

## Rights

- identifier: https://creativecommons.org/licenses/by-nc/4.0/

## Other identifier(s)



## Data origin



## Embargo



## Journal

- title: Journal of Materials Chemistry C
  issn: '20507526'
  volume: '12'
  issue: '24'
  start_page: 8861
  end_page: 8872

## Conference



## Related item



## Funding

- identifier: JPMJMI19A1
  funder_name: JST-Mirai Program
- identifier: 22H01761
  funder_name: Japan Society for the Promotion of Science

## Instrument



## Instrument operator



## Instrument managing organization



## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



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## Computational method



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## Fileset

- id: c0e3ef70-97bd-469b-aaa8-4f5e6a3fd72e
  filename: Journal of Materials Chemistry C-Unexpected p-type thermoelectric transport
    arising from magnetic Mn substitution in Fe2V1-xMnxAl Heusler compounds.pdf
  content_type: application/pdf
  size: 2869358
  md5: aab88df22456d61e2183e0263fe7e037

## Thumbnail

fileset_id: c0e3ef70-97bd-469b-aaa8-4f5e6a3fd72e
filename: Journal of Materials Chemistry C-Unexpected p-type thermoelectric transport
  arising from magnetic Mn substitution in Fe2V1-xMnxAl Heusler compounds.pdf