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In a recent Letter [N. Lehto and S. Oberg, Phys. Rev. Lett. 80, 5568 (1998)],Lehto and Oberg investigated the effects of strain fields on the core structureof the 90-degree partial dislocation in silicon, especially the influence ofthe choice of supercell periodic boundary conditions in theoreticalsimulations. We show that their results for the relative stability between thetwo structures are in disagreement with cell-size converged tight-binding totalenergy (TBTE) calculations, which suggest the DP core to be more stable,regardless of the choice of boundary condition. Moreover, we argue that thisdisagreement is due to their use of a Keating potential.

physical review letters

Stability of the Period-Doubled Core of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>90</mml:mn><mml:mi>°</mml:mi></mml:math>Partial in Silicon

Stability of the Period-Doubled Core of the90°Partial in Silicon