Diffraction from domain-wall systems

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Abstract
We present kinematical calculations of the diffraction patterns from domain-wall systems on a hexagonal substrate lattice. Diffraction-peak positions and intensities are calculated for the (√3×√3)R30° commensurate-to-incommensurate phase transition, assuming all possible domain-wall systems: heavy, superheavy, light, and superlight walls for both the hexagonal and the striped symmetry. In addition, we allow for wall relaxation and determine its effect on the diffraction-peak intensities. As an example, the (√3 × √3 )R30° commensurate-to-incommensurate phase transition of Xe/Pt(111) is explained as a continuous transition involving striped superheavy walls with increasing relaxation followed by a first-order transition into a hexagonal incommensurate phase.