Changing the spin disorder of two-dimensional magnetic CrTiCT to long-range order through noble metal adhesion.

To enhance the use of Cr2TiC2Tx MXene in spin electronics, it is essential to transform its spin-disordered state into a long-range ordered spin state. In this study, first-principles calculations show that Rh layers adhered to the CrTiCT surfaces can transform its spin disordered state into a long-range spin order by donating electrons to the O terminations, resulting in CrTiCT becoming a single-layer A-type antiferromagnet. As the proportion of F termination increases from 0 to 100%, the exchange coupling constant J of the compound escalates from 0.5 to 15.9 meV. Concurrently, the Néel temperature experiences a significant rise from 8 K to 110 K. The analysis of the density of states reveals that the obtained CrTiCT exhibits excellent conductivity with O termination and semiconductor characteristics with F termination. These unique features make CrTiCT a promising magnetic material for application in spin electronics.