Electronic structure and mechanical properties of Cr7C3

We have studied the Cr7C3 phase by means of ab initio calculations and found covalent-ionic Cr-C-Cr chains in a metallic matrix. Furthermore. the structure of thin films, synthesized by RF magnetron sputtering, is shown to be in good agreement with our theoretical prediction. (C) 2004 Elsevier B.V. All rights reserved.