Ordre a courte distance, deplacements locaux des ions et energie electrostatique dans FeLiO2

Even with the introduction of the short-range order and the displacements, the difference in electrostatic energy between the disordered and the ordered Q1 phases, calculated disregarding the deformation of the ions, is of the order of 40 KTC ( Tc being the transition temperature ≅ 1000°K). To explain the existence of an order-disorder transition, it seems that one must introduce a polarization of the oxygen-ions. We show that this effect favours the disordered phase more than the ordered phase.