X-ray diffraction peaks from correlated dislocations: Monte Carlo study of dislocation screening.

Acta Crystallogr A

Paul-Drude-Institut für Festkörperelektronik, Hausvogteiplatz 5-7, 10117 Berlin, Germany.

Published: November 2010

X-ray diffraction peak profiles are calculated by the Monte Carlo method for arbitrarily correlated dislocations without making any approximations or simplifications. The arrangement of dislocations in pairs with opposite Burgers vectors provides screening of the long-range strains. Moreover, any screening can be modeled by appropriate distribution of the dislocation pairs. Analytical description of the peak profiles is compared with the Monte Carlo results. Symmetric peaks due to screw dislocations and asymmetric peaks due to edge dislocations are simulated and analyzed.

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http://dx.doi.org/10.1107/S0108767310033544DOI Listing

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