Outline of defect properties computations

The elemental defects are the vacancy, self interstitial and impurity atom. Schematic descriptions of the three elemental point defect types are considered along with an edge dislocation and a Frenkel pair. Moreover, displacement field in bcc, fcc and hcp crystals and the free energy and entropy of defects are discussed. Characteristic energies of elemental defects like configuration energy, formation energy, migration energy, binding energy and dissociation energy are treated in separated sections. Next, the author gives some example calculations of metal models used in computing defect properties. In three appendices, the author goes into more technical details. (G.J.P.)