On the formation mechanisms and properties of MAX phases: A review

MAX phases are a family of ternary carbide or nitride ceramics possessing a layered crystal structure and, due to their chemical bonds having a mixed covalent-ionic-metallic nature, have unique properties combining those of metals and ceramics. In this review, the formation mechanisms of MAX phases from elemental and compound powders are...

Inconsistencies in modelling interstitials in FeCr with empirical potentials

We present empirical potential and Density Functional Theory results of interstitials in FeCr and pure Cr. Results show that potentials for the original and revised two-band model, a recently introduced third two-band model, and for the revised concentration-dependent model produce errors of up to multiple eV in formation and binding energies...

Defect chemistry in solid state electrochemistry