DYNAMIC ATOMIC DISPLACEMENTS IN YBA2CU3O6+X AS A FUNCTION OF TEMPERATURE

Abstract

Mean-square displacements in the superconductor YBa2Cu3O6+x, are calculated using the partial phonon density of states through the solution of the dynamical matrix. We make a comparison of the results found and study the consistency of the method for analysing displacement properties. In particular we discuss the movements of chain O(1) and apical O(4) oxygens. From a comparison of the results with data coming from diffraction experiments we look for possible anomalous behaviour of the oxygens as a function of temperature.