First-principles, UV Raman, X-ray diffraction and TEM study of the structure and lattice dynamics of the diamond–lonsdaleite system

Abstract We report the results of the study of the polycrystalline powder of the diamond–lonsdaleite system by X-ray diffractometry, transmission electron microscopy and UV Raman spectroscopy. The measured data of structural parameters are in good agreement with ab initio calculations. We show that the Raman spectrum is proportional to the phonon density of states of the diamond–lonsdaleite system.