# Spin interactions in decorated graphene nanoflakes with two localized spin-1/2 entities

https://mdr.nims.go.jp/datasets/0c03da20-d584-4915-8e88-2c816cdebdc5

## File

- [1-s2.0-S2950257825000198-main.pdf](https://mdr.nims.go.jp/filesets/d5c7770c-318f-4c25-8133-2827b2b7a3dd/download) ([Detail](https://mdr.nims.go.jp/filesets/d5c7770c-318f-4c25-8133-2827b2b7a3dd.md))

## Id

0c03da20-d584-4915-8e88-2c816cdebdc5

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-06-02T08:56:21.519414Z

## Updated at

2025-06-02T09:03:07.160718Z

## Published at

2025-12-22T03:21:51.348200Z

## Doi



## First published url

https://doi.org/10.1016/j.mtquan.2025.100041

## Date published

2025-05-05

## Recorded date published

2025-6

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: Spin interactions in decorated graphene nanoflakes with two localized spin-1/2
    entities
  title_type: original
  lang: en

## Description

- description: Magnetic properties of graphene nanoflakes with designed edge shapes
    are theoretically analyzed by means of the first-principles calculation. As a
    starting point, we take a nanoflake with decorated zigzag edges where no magnetism
    is expected. Then, it is shown that removal of one decoration unit induces a well-defined
    localized spin-1/2 state. When two decoration units are removed, there arise two
    localized spin-1/2 states. Notably, when two spins are aligned in the same edge,
    the spin–spin interaction is ferromagnetic, while when two spins are aligned in
    the opposite edges, the spin–spin interaction is antiferromagnetic. This suggests
    that decorated nanoflakes form a promising playground for nanoscale spin devices
    with tunable spin–spin interactions by designing edge shapes.
  description_type: abstract
  lang: und

## Creator

- name: Toshikaze Kariyado
  role: author
  orcid: https://orcid.org/0000-0002-3746-6803

## Contact agent



## Publisher

organization: Elsevier BV

## Managing organization



## Keyword

- subject: graphene
  schema: not_defined
- subject: nanoflake
  schema: not_defined
- subject: magnetism
  schema: not_defined

## Rights

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

## Other identifier(s)



## Data origin



## Embargo



## Journal

- title: Materials Today Quantum
  issn: '29502578'
  volume: '6'
  article_number: '100041'

## Conference



## Related item



## Funding

- identifier: JP24K06968
  funder_name: Japan Society for the Promotion of Science
  description: 科研費

## 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



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## Fileset

- id: d5c7770c-318f-4c25-8133-2827b2b7a3dd
  filename: 1-s2.0-S2950257825000198-main.pdf
  content_type: application/pdf
  size: 1399783
  md5: 341a80b227e7a3b6defa2f4fbb5746c1

## Thumbnail

fileset_id: d5c7770c-318f-4c25-8133-2827b2b7a3dd
filename: 1-s2.0-S2950257825000198-main.pdf