SIMULATION OF POWDER DIFFRACTION DIAGRAMS FROM DISORDERED AND IMPERFECT GRAPHITIC LAYERS

Powder X-ray diffraction patterns from independent and piled honeycomb graphitic layers with finite lateral extent containing various types of distortions have been simulated through the use of the general equa tion of Debye. The list of the distortions included rotation of adjace nt layers around the layer normal, displacement of atoms along the lay er normal, in-plane strains and bowl-like bending of layers. Such an a pproach allows one to estimate the impact of both regular and random d eteriorations of the graphite structure on the profile shape by taking into account the diffractional contribution from each pair of atoms c omprising the structural unit under consideration.