# Overcoming surface energy to control Cu3N epitaxial growth

https://mdr.nims.go.jp/datasets/b76e4e04-82b3-4424-9517-0ec559b8560a

## File

- [J. Chem. Phys. 163, 234712 (2025)_manuscript_MDR.pdf](https://mdr.nims.go.jp/filesets/f122cd12-767c-4af0-b3d2-ec1af3551c7d/download) ([Detail](https://mdr.nims.go.jp/filesets/f122cd12-767c-4af0-b3d2-ec1af3551c7d.md))
- [_3_Revised Supplementary material_proof_20251211_v3_tiff.pdf](https://mdr.nims.go.jp/filesets/a9dd20b9-06c2-4d99-bc57-4dd954060c92/download) ([Detail](https://mdr.nims.go.jp/filesets/a9dd20b9-06c2-4d99-bc57-4dd954060c92.md))

## Id

b76e4e04-82b3-4424-9517-0ec559b8560a

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-12-19T18:58:37.115518Z

## Updated at

2025-12-22T00:40:07.802730Z

## Published at

2025-12-22T03:21:51.823940Z

## Doi

https://doi.org/10.48505/nims.6044

## First published url

https://doi.org/10.1063/5.0300710

## Date published

2025-12-21

## Recorded date published

2025-12-21

## Resource type

journal_article

## Manuscript type

accepted_manuscript

## Collection



## Title

- title: Overcoming surface energy to control Cu3N epitaxial growth
  title_type: original
  lang: en

## Description

- description: Crystal orientation control during copper nitride (Cu3N) epitaxial
    growth was achieved using reactive DC magnetron sputtering. Both the (100)-orientation
    and (111)-orientation were observed readily from X-ray diffraction measurements
    for Cu3N thin films grown on single-crystal MgO(100), MgO(111), SrTiO3(100), and
    sapphire(0001) substrates. The Cu3N(111) surface energy is greater than that of
    Cu3N(100), suggesting that the Cu3N(111) orientation has a lower formation probability
    than the Cu3N(100) orientation. To control the influence of surface energy, thin
    film growth parameters related to the thermodynamics and kinetics of epitaxial
    thin film growth were tuned. Growth of single (111)-oriented Cu3N epitaxial thin
    films, which has a higher surface energy orientation, was achieved on MgO(111)
    substrates. Optical band gaps of the single (111)-oriented Cu3N epitaxial thin
    film were 1.80 eV for direct transition and 0.82 eV for indirect transition, indicating
    formation of a reasonable electronic structure in single (111)-oriented Cu3N epitaxial
    thin films with higher surface energy.
  description_type: abstract
  lang: und

## Creator

- name: Zainab Fatima
  role: author
  orcid: https://orcid.org/0000-0002-8230-0298
- name: Isao Ohkubo
  role: author
  orcid: https://orcid.org/0000-0002-4187-0112
- name: Satoshi Ishii
  role: author
  orcid: https://orcid.org/0000-0003-0731-8428
- name: Takahiro Nagata
  role: author
  orcid: https://orcid.org/0000-0002-8591-2943
- name: Takashi Aizawa
  role: author
  orcid: https://orcid.org/0000-0003-2357-5336
- name: Takao Mori
  role: author
  orcid: https://orcid.org/0000-0003-2682-1846

## Contact agent



## Publisher

organization: AIP Publishing

## Managing organization



## Keyword

- subject: Thin films
  schema: not_defined
- subject: Epitaxial growth
  schema: not_defined
- subject: Surface energy
  schema: not_defined
- subject: Transition metal nitrides
  schema: not_defined

## Rights

- description: 'This article may be downloaded for personal use only. Any other use
    requires prior permission of the author and AIP Publishing. This article appeared
    in Zainab Fatima, Isao Ohkubo, Satoshi Ishii, Takahiro Nagata, Takashi Aizawa,
    Takao Mori; Overcoming surface energy to control Cu3N epitaxial growth. J. Chem.
    Phys. 21 December 2025; 163 (23): 234712 and may be found at https://doi.org/10.1063/5.0300710.'
  identifier: http://rightsstatements.org/vocab/InC/1.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: The Journal of Chemical Physics
  issn: '00219606'
  volume: '163'
  issue: '23'
  article_number: '234712'

## Conference



## Related item



## Funding

- identifier: 23H00263
  funder_name: JSPS-KAKENHI
- 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: f122cd12-767c-4af0-b3d2-ec1af3551c7d
  filename: J. Chem. Phys. 163, 234712 (2025)_manuscript_MDR.pdf
  content_type: application/pdf
  size: 9557145
  md5: 9d1f78928d42252c733f8c0442076a22
- id: a9dd20b9-06c2-4d99-bc57-4dd954060c92
  filename: _3_Revised Supplementary material_proof_20251211_v3_tiff.pdf
  content_type: application/pdf
  size: 6962881
  md5: 768c3c63c796784a5395459a52176515

## Thumbnail

fileset_id: f122cd12-767c-4af0-b3d2-ec1af3551c7d
filename: J. Chem. Phys. 163, 234712 (2025)_manuscript_MDR.pdf