# Enhanced thermopower by double-site substitution of Ti in Fe2(VAl)1-xTi2x

https://mdr.nims.go.jp/datasets/661405a3-297d-4817-a228-2a88ab4a2a2f

## Files

- [Materials Today Physics---Enhanced thermopower by double-site substitution of Ti in Fe2(VAl)1–xTi2x.pdf](https://mdr.nims.go.jp/filesets/ef7db306-b0f5-439e-9e98-06862965dd9f/download) ([Detail](https://mdr.nims.go.jp/filesets/ef7db306-b0f5-439e-9e98-06862965dd9f.md))

## Id

661405a3-297d-4817-a228-2a88ab4a2a2f

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-11-08T15:52:27.328045Z

## Updated at

2025-11-10T03:30:38.106536Z

## Published at

2025-11-10T03:24:31.890821Z

## Doi



## First published url

https://doi.org/10.1016/j.mtphys.2025.101712

## Date published

2025-04-11

## Recorded date published

2025-5

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: Enhanced thermopower by double-site substitution of Ti in Fe2(VAl)1-xTi2x
  title_type: original
  lang: en

## Description

- description: "Thermoelectric (TE) materials, which directly convert heat into electricity,
    hold promise for sustainable energy applications, making the development of efficient,
    cost-effective, and non-toxic materials crucial for their widespread adoption.
    Here, we attempt to improve the thermoelectric properties of Fe2VAl-based full-Heusler
    compounds through the targeted substitution of VAl with Ti2 in Fe2(VAl)1–xTi2x
    . Our study reveals a miscibility gap between 0.4 < x < 0.9, yet significant enhancement
    of the thermoelectric performance for both p- and n-type compounds was achieved
    for smaller substitutions. While Fe2VAl and Fe2Ti2 are semimetals, a band gap
    opening occurs in the solid solution series, yielding a substantial enhancement
    of the Seebeck coefficient up to 130 μV/K in p-type materials. By additional optimization
    via isovalent V/Ta heavy-element substitution, we further optimize the TE performance,
    achieving one of the best zT values in p- and n-type\r\nfull-Heusler compounds,
    revealing the (VAl)/Ti2 substitution as a promising pathway for improving the
    TE efficiency of full-Heusler compounds."
  description_type: abstract
  lang: und

## Creator

- name: M. Parzer
  role: author
- name: A. Kositz
  role: author
- name: J. Süß
  role: author
- name: F. Garmroudi
  role: author
- name: T. Mori
  role: author
  orcid: https://orcid.org/0000-0003-2682-1846
  organization: National Institute for Materials Science
- name: E. Bauer
  role: author

## Contact agent



## Publisher

organization: Elsevier BV

## Managing organization



## Keyword

- subject: thermoelectric
  schema: not_defined

## Rights

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

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: Materials Today Physics
  issn: '25425293'
  volume: '54'
  article_number: '101712'

## Conference



## Related item



## Funding

- funder_name: Japan Science and Technology Agency
- identifier: JPMJMI19A1
  funder_name: JST-Mirai Program

## Instrument



## Instrument operator



## Instrument managing organization



## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



## Structural feature for specimen



## Specific property for specimen



## Process for specimen treatment



## Computational method



## Energy level/transition state



## Software



## Custom property



## Fileset

- id: ef7db306-b0f5-439e-9e98-06862965dd9f
  filename: Materials Today Physics---Enhanced thermopower by double-site substitution
    of Ti in Fe2(VAl)1–xTi2x.pdf
  content_type: application/pdf
  size: 5801481
  md5: 78f54a36f6f40fe6d6100b376d3bee7c

## Thumbnail

fileset_id: ef7db306-b0f5-439e-9e98-06862965dd9f
filename: Materials Today Physics---Enhanced thermopower by double-site substitution
  of Ti in Fe2(VAl)1–xTi2x.pdf