University of Surrey

Test tubes in the lab Research in the ATI Dance Research

Dislocations of Burgers vector c/2 in graphite

Suarez-Martinez, I, Savini, G, Haffenden, G, Campanera, JM and Heggie, MI (2007) Dislocations of Burgers vector c/2 in graphite Physica Status Solidi (C) Current Topics in Solid State Physics, 4 (8). pp. 2958-2962.

Full text not available from this repository.


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. © 2007 WILEY-VCH Verlag GmbH & Co. KGaA.

Item Type: Article
Divisions : Surrey research (other units)
Authors :
Suarez-Martinez, I
Savini, G
Haffenden, G
Campanera, JM
Date : 1 December 2007
DOI : 10.1002/pssc.200675445
Depositing User : Symplectic Elements
Date Deposited : 17 May 2017 12:31
Last Modified : 24 Jan 2020 22:23

Actions (login required)

View Item View Item


Downloads per month over past year

Information about this web site

© The University of Surrey, Guildford, Surrey, GU2 7XH, United Kingdom.
+44 (0)1483 300800