University of Sussex
Browse

File(s) not publicly available

Dislocations of Burgers vector c/2 in graphite

presentation
posted on 2023-06-08, 09:02 authored by Irene Suarez Martinez, G Savini, G Haffenden, J-M Campanera Alsina, M I Heggie
We report calculations in support of the application of LDA within DFT to graphite and go on to report the inner core structure and energetics of prismatic dislocations with Burgers vector c/2: two types of edge and one of screw type. We find the screw dislocations preserve sp2 hybridisation and graphite bonding, whereas one edge type (zigzag) gives rise to interlayer single bonds and sp3 hybridisation, while the other type (armchair) does not, preferring instead to rehybridise towards sp and form bonds with itself approaching triple character. For computational and physical reasons these calculations were based on AA graphite, rather than Bernal (AB) graphite.

History

Publication status

  • Published

ISSN

18626351

Issue

8

Volume

4

Page range

2958-2962

Presentation Type

  • paper

Event name

International Conference on Extended Defects in Semiconductors, EDS 2006; Halle

Event type

conference

Department affiliated with

  • Chemistry Publications

Notes

Publish in: Physica Status Solidi (C) Current Topics in Solid State Physics

Full text available

  • No

Peer reviewed?

  • Yes

Legacy Posted Date

2012-02-06

Usage metrics

    University of Sussex (Publications)

    Categories

    No categories selected

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC