# Chemical-substitution-driven giant anomalous Hall and Nernst effects in magnetic cubic Heusler compounds

https://mdr.nims.go.jp/datasets/c36f1535-0641-432a-b800-8e96c8ca7aa7

## File

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## Id

c36f1535-0641-432a-b800-8e96c8ca7aa7

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2024-04-03T08:52:46.322335Z

## Updated at

2024-04-09T03:30:23.947065Z

## Published at

2024-04-09T03:30:24.039857Z

## Doi

https://doi.org/10.48505/nims.4477

## First published url

https://doi.org/10.1016/j.actamat.2024.119856

## Date published

2024-03-22

## Recorded date published

2024-5

## Resource type

journal_article

## Manuscript type

authors_original

## Collection



## Title

- title: Chemical-substitution-driven giant anomalous Hall and Nernst effects in magnetic
    cubic Heusler compounds
  title_type: original
  lang: en

## Description

- description: Chemical substitution efficiently optimizes the physical properties
    of Heusler compounds, especially their anomalous transport properties, including
    anomalous Hall conductivity (AHC) and anomalous Nernst conductivity (ANC). This
    study systematically investigates the effect of chemical substitution on AHC and
    ANC in 1493 magnetic cubic Heusler compounds using high-throughput first-principles
    calculations. Notable trends emerge in Co- and Rh-based compounds, where chemical
    substitution effectively enhances the AHC and ANC. Intriguingly, certain candidates
    with chemical substitutions exhibit outstanding enhancement in AHCs and ANCs,
    such as (Co0.8Ni0.2)2FeSn with considerable AHC and ANC values of −2567.78 S cm−1
    and 8.27 Am−1K−1, respectively, and (Rh0.8Ru0.2)2MnIn with an AHC of 1950.49 S
    cm−1. In particular, an extraordinary ANC of 8.57 Am−1K−1 is identified exclusively
    in Rh2Co0.7Fe0.3In, nearly double the maximum value of 4.36 Am−1K−1 observed in
    the stoichiometric Rh2CoIn. A comprehensive band structure analysis underscores
    that the notable enhancement in ANC arises from the creation and modification
    of the energy-dependent nodal lines through chemical substitution. This mechanism
    generates a robust Berry curvature, resulting in significant ANCs. These findings
    emphasize the pivotal role of chemical substitution in engineering high-performance
    materials, thereby expanding the horizons of transport property optimization within
    Heusler compounds.
  description_type: abstract
  lang: und

## Creator

- name: Guangzong Xing
  role: author
  orcid: https://orcid.org/0000-0002-8299-8585
- name: Keisuke Masuda
  role: author
  orcid: https://orcid.org/0000-0002-6884-6390
- name: Terumasa Tadano
  role: author
  orcid: https://orcid.org/0000-0002-8132-2161
- name: Yoshio Miura
  role: author
  orcid: https://orcid.org/0000-0002-5605-5452

## Contact agent



## Publisher

organization: Elsevier BV

## Managing organization



## Keyword

- subject: Anomalous Hall conductivity
  schema: not_defined
- subject: Anomalous Nernst conductivity
  schema: not_defined
- subject: Heusler compounds
  schema: not_defined
- subject: High-throughput screening
  schema: not_defined

## Rights

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

## Other identifier(s)



## Data origin



## Embargo



## Journal

- title: Acta Materialia
  issn: '13596454'
  volume: '270'
  article_number: '119856'

## Conference



## Related item



## Funding

- identifier: JPMJCR21O1
  funder_name: Japan Science and Technology Agency
- identifier: 'JPMXP1122715503 '
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: " JPMJER2201"
  funder_name: Japan Science and Technology Agency

## 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



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## Fileset

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  filename: Heusler_CREST_acta_main.pdf
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  md5: d9d387f9b342845a77436487ae1a9dc0
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  filename: Heusler_Acta_SM.pdf
  content_type: application/pdf
  size: 832646
  md5: 0d6cadeb9fa3c559d4839a08d933f617

## Thumbnail

fileset_id: cf35ed92-8e47-4837-9950-78c74cc3f6b1
filename: Heusler_Acta_SM.pdf