# Superstoichiometric (Al,Cr)N: Nitrogen's whereabouts and role in structure-property relationships

https://mdr.nims.go.jp/datasets/cf3d22db-f837-4eee-8f6f-00485c1edb1c

## File

- [1-s2.0-S135964542500446X-main_final-online.pdf](https://mdr.nims.go.jp/filesets/e2d4740a-4e85-49dc-9826-1d70742e8939/download) ([Detail](https://mdr.nims.go.jp/filesets/e2d4740a-4e85-49dc-9826-1d70742e8939.md))

## Id

cf3d22db-f837-4eee-8f6f-00485c1edb1c

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-07-23T02:11:22.565218Z

## Updated at

2025-07-23T07:30:23.122703Z

## Published at

2025-07-23T07:20:21.367189Z

## Doi



## First published url

https://doi.org/10.1016/j.actamat.2025.121158

## Date published

2025-05-19

## Recorded date published

2025-8

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: 'Superstoichiometric (Al,Cr)N: Nitrogen''s whereabouts and role in structure-property
    relationships'
  title_type: original
  lang: en

## Description

- description: The role of light elements in ceramic materials cannot be overestimated.
    By tuning their concentration, a whole multitude of mechanisms can be activated,
    directly influencing the material's functional properties. However, accurate determination
    of light element concentrations remains a challenge and is often, especially in
    superstoichiometric compounds, overlooked. In this work, superstoichiometric (Al,Cr)Nx
    coatings (x > 1) were deposited via high-ionisation magnetron sputtering (HIMS).
    By combining the results of experiments and ab initio calculations, we were able
    to identify the locations of excess nitrogen atoms in these coatings with a high
    degree of confidence. Below a critical nitrogen concentration of approximately
    x ≈ 1.06-1.08, excess nitrogen predominantly occupies interstitial sites and a
    strong (111) growth orientation is favoured. At higher nitrogen concentrations,
    x > 1.06-1.08, along with interstitial lattice sites also a substantial occupation
    of metal sites (anti-sites) can occur, and the rate of grain re-nucleation is
    significantly increased, disrupting columnar growth and inducing a shift in the
    growth orientation to (220). These structural changes significantly affect the
    mechanical properties. Specifically, the (Al,Cr)N1.08 coating, with nitrogen concentration
    close to the threshold, exhibits a 9% higher hardness (34.4 GPa) and superior
    abrasive resistance, while the (Al,Cr)N1.11 coating, with nitrogen concentration
    above the threshold, shows 9% higher fracture toughness (4.15 MPa√m) and enhanced
    microcracking and crack-branching ability. These findings underscore the advantages
    of superstoichiometric (Al,Cr)Nx coatings but also suggest broader potential applications
    of superstoichiometric nitrides and ceramics in advanced material systems.
  description_type: abstract
  lang: und

## Creator

- name: F.F. Klimashin
  role: author
- name: M. Učík
  role: author
- name: M. Matas
  role: author
- name: D. Holec
  role: author
- name: M. Beutner
  role: author
- name: M. Hackert-Oschätzchen
  role: author
- name: A. Xomalis
  role: author
- name: J.J. Schwiedrzik
  role: author
- name: J. Klusoň
  role: author
- name: M. Jílek
  role: author
- name: A. Lümkemann
  role: author
- name: J. Michler
  role: author
- name: T.E.J. Edwards
  role: author
  orcid: https://orcid.org/0000-0002-3089-0062
  organization: National Institute for Materials Science

## Contact agent



## Publisher

organization: Elsevier BV

## Managing organization



## Keyword

- subject: "(Al,Cr)NSuperstoichiometry"
  schema: not_defined
- subject: Point defects
  schema: not_defined
- subject: Microstructure
  schema: not_defined
- subject: Hardness
  schema: not_defined
- subject: Fracture toughness
  schema: not_defined
- subject: Wear resistance
  schema: not_defined

## Rights

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

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: Acta Materialia
  issn: '13596454'
  volume: '294'
  article_number: '121158'

## Conference



## Related item



## Funding

- identifier: 42220.1 IP-ENG
  funder_name: Innosuisse Swiss Innovation 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



## Energy level/transition state



## Software



## Custom property



## Fileset

- id: e2d4740a-4e85-49dc-9826-1d70742e8939
  filename: 1-s2.0-S135964542500446X-main_final-online.pdf
  content_type: application/pdf
  size: 9917852
  md5: 219a52a554428942fcb542bd1efd3e80

## Thumbnail

fileset_id: e2d4740a-4e85-49dc-9826-1d70742e8939
filename: 1-s2.0-S135964542500446X-main_final-online.pdf