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

• Ab-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 degrees C on MgO(111) substrates. X-ray diffraction and high-resolution transmission electron microscopy show epitaxial growth of (000) MAX phase.

Nyckelord

MAX phases; ab-initio calculations; magnetron sputtering; epitaxial thin films

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