Silicon 90° Partial Dislocation

This 96-atom structure has a double period [Bulatov private communication; VV Bulatov et al, PRL 79, 5042 (1997)], that is, two 90° partials (up and down).

There is a considerable theoretical literature on dislocation structures, see for example at recent review of Nunes and Vanderbilt [cond-mat/008135; also PRL 85, 3540 (3000)].

Quasiparticle calculations could detail excited state information.

If kinks or anitkinks associated with some of the dislocation structures turned out to be interesting, our molecular dynamics simulations could provide an accurate small structure for BSE approach.