English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

We present an ab initio DFT study of the magnetic moments that arise ingraphite by creating single carbon vacancies in a 3-D graphite network, using afull potential, all electron, spin polarized electronic structure calculations.In previous reports the appearance of magnetic moments was explained in a 2-Dgraphene sheet just through the existence of the vacancies itself [1-5]. Thedependence of the arising magnetic moment on the nature and geometry of thevacancies for different supercells is reported. We found that the highest valueof magnetic moment is obtained for a 3x3x1 supercell and that the highlydiluted 5x5x1 supercell shows no magnetic ordering. The results obtained inthis manuscript are indicative of the importance of interlayer interactionspresent in a 3-D stacking. We conclude that this should not be underestimatedwhen vacancies-based studies on magnetism in graphitic systems are carried out.

Induced magnetism by single carbon vacancies in a three-dimensional graphitic network: a supercell study