# Linear response theories for interatomic exchange interactions

https://mdr.nims.go.jp/datasets/4cbdbbc4-8b9b-4450-bb9d-4d5a0ee883df

## File

- [Solovyev_2024_J._Phys.__Condens._Matter_36_223001.pdf](https://mdr.nims.go.jp/filesets/355e1d31-e744-41b2-a2ad-153eae417728/download) ([Detail](https://mdr.nims.go.jp/filesets/355e1d31-e744-41b2-a2ad-153eae417728.md))

## Id

4cbdbbc4-8b9b-4450-bb9d-4d5a0ee883df

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2024-03-08T00:00:51.400487Z

## Updated at

2024-03-19T07:57:38.985484Z

## Published at

2024-03-19T07:57:39.090673Z

## Doi



## First published url

https://doi.org/10.1088/1361-648x/ad215a

## Date published

2024-06-05

## Recorded date published

2024-6-5

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: Linear response theories for interatomic exchange interactions
  title_type: original
  lang: en

## Description

- description: The purpose of this review is to elaborate basic ideas of the linear
    response theories for the exchange interactions as well as more resent developments.
    The special attention is paid to the approximations underlying the original method
    in comparison with its more recent and more rigorous extensions, the roles of
    the on-site Coulomb interactions and the ligand states, and calculations of antisymmetric
    Dzyaloshinskii-Moriya interactions, which can be performed alongside with the
    isotropic exchange, within one computational scheme. The abilities of the linear
    response theories as well as many theoretical nuances, which may arise in the
    analysis of interatomic exchange interactions, are illustrated on magnetic van
    der Walls materials CrX3 (X= Cl, I), half-metallic ferromagnet CrO2, ferromagnetic
    Weyl semimetal Co3Sn2S2, and orthorhombic manganites AMnO3 (A= La, Ho), known
    for the peculiar interplay of the lattice distortion, spin, and orbital ordering.
  description_type: abstract
  lang: und

## Creator

- name: I V Solovyev
  role: author
  orcid: https://orcid.org/0000-0002-2010-9877
  organization: National Institute for Materials Science

## Contact agent



## Publisher

organization: IOP Publishing

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## Keyword

- subject: electronic structure
  schema: not_defined
- subject: " linear response theory"
  schema: not_defined
- subject: exchange interactions
  schema: not_defined
- subject: Dzyaloshinskii–Moriya interactions
  schema: not_defined
- subject: ligand states
  schema: not_defined
- subject: transition-metal oxides and related compounds
  schema: not_defined

## Rights

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

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: 'Journal of Physics: Condensed Matter'
  issn: '09538984'
  volume: '36'
  issue: '22'
  article_number: '223001'

## Conference



## Related item



## Funding

- funder_name: World Premier International Research Center Initiative (WPI), MEXT,
    Japan

## Instrument



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## Measurement method



## Specimen



## Chemical composition



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## Structural feature for specimen



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## Fileset

- id: 355e1d31-e744-41b2-a2ad-153eae417728
  filename: Solovyev_2024_J._Phys.__Condens._Matter_36_223001.pdf
  content_type: application/pdf
  size: 4059897
  md5: 437800a57f1d596b5d8c097cab540c12

## Thumbnail

fileset_id: 355e1d31-e744-41b2-a2ad-153eae417728
filename: Solovyev_2024_J._Phys.__Condens._Matter_36_223001.pdf