Defect volume for Schottky defect formation and cation vacancy migration in LiH

The defect volumes in LiH for the formation of a Schottky defect as well as for the cation vacancy migration are estimated for the first time. Their values are found to be larger and smaller, respectively, than the molecular volume. The calculation is based on the equation of state obtained from single-crystal synchrotron X-ray diffraction measurements on solid (LiH)-Li-7 up to 36 GPa, by relying on an interconnection between defect Gibbs energy and bulk elastic data. (C) 2009 Published by Elsevier B.V.