Phase stability of Crn+ 1GaCn MAX phases from first principles and Cr2GaC thin‐film synthesis using magnetron sputtering from elemental targets

Abstract

AbstractAb‐initio calculations have been used to investigate the phase stability and magnetic state of Crn+ 1GaCn MAX phase. Cr2GaC (n = 1) was predicted to be stable, with a ground state corresponding to an antiferromagnetic spin configuration. Thin‐film synthesis by magnetron sputtering from elemental targets, including liquid Ga, shows the formation of Cr2GaC, previously only attained from bulk synthesis methods. The films were deposited at 650 °C on MgO(111) substrates. X‐ray diffraction and high‐resolution transmission electron microscopy show epitaxial growth of (000ℓ) MAX phase. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)