Free energy plane-wave pseudopotential simulation of the adhesion and relaxation of the niobium-$\alpha$ alumina (0001) interface

I.G. Batyrev, A.Alavi & M.Finnis
Atomic Simulation Group, School of Mathematics and Physics, Queeen's University of Belfast, Belfast BT71NN, Northern Ireland, UK
T. Deutsch
CEA, SP2M, CENG, 17 rue des Martyrs, 38054, Grenoble Cedex 9, France
e-mail: batyrev@titus.phy.qub.ac.uk