Electric Dipole Ordering in Alkali-Cyanides: NaCN and KCN

摘要

A simple model for the low temperature electrically ordered state of NaCN and KCN is presented. The model takes into account electric dipole dressing effects which include cationic displacements determined experimentally. The ground state structure and the calculated values for the local electric fields are in fair agreement with experimental results. A parametrization for the elastic potencial confirms the plausibility of these model. (Atomindex citation 16:025337)