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L. Pizzagalli1, P. Beauchamp1 and J. Rabier1
Published 12 October 2005 •
2005 EDP Sciences
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Citation L. Pizzagalli et al 2005 EPL 72 410
DOI 10.1209/epl/i2005-10259-y
678 Total downloads
The properties of perfect screw dislocations have been investigated for several zinc-blende materials such as diamond, Si, β-SiC, Ge and GaAs, by performing first-principles calculations. For almost all elements, a core configuration belonging to shuffle set planes is favored, in agreement with low-temperature experiments. Only for diamond, a glide configuration has the lowest defect energy, thanks to an sp2 hybridization in the core.