Parabolic microstrain-like line broadening induced by random twin faulting

Abstract

The broadening of diffraction lines of layer faulted and, in particular, of microtwinned microstructures is analysed in detail. Thereby, stacked layer models turn out to be valuable to simulate the diffracted intensity if the metrics of the layers pertaining to the two types of domains are described by an average metrics plus domain-specific deviations from that metrics. Characteristic changes occur for the line-broadening effects if the fault probability and the extent of deviations from the average layer metrics vary. Emphasis is put, in particular, on a regime of line broadening characterised by merging of otherwise split peaks to yield single ones for sufficiently high twin probability. These merged peaks show unusual quadratic/parabolic increase of the integral breadths with the reflection order (parabolic microstrain broadening). This type of broadening has been predicted previously for special types of microstrain broadening, and indeed the (metrical) distortions of the domains with respect to the average structure allow perceiving even the twin-faulted microstructures as, in some sense, microstrained ones. Moreover, the special situation of superstructures is analysed, where the above mentioned merging is only observed for the fundamental but not for the superstructure reflections. Inconsistent (with respect to lattice metrics) peak positions can be observed for fundamental and superstructure reflections, which can affect lattice parameters determined from diffraction patterns.