  MXene, the two-dimensional derivatives of MAX compounds, due to their
structural and compositional flexibility, is an ideal family of compounds to
study a number of structure-property relations. In this work, we have
investigated the tunability of magnetic properties in Cr-based MXenes that have
an in-plane ordering arising out of alloying Cr with another non-magnetic
transition metal atom. Using Density Functional Theory based calculations we
have explored the effects of composition and surface functionalisations on the
electronic and magnetic properties of these in-plane ordered MXenes known as
i-MXenes. We found that the electronic and magnetic ground states are quite
sensitive to the structure and composition. This provides enough tunability in
these compounds so that they can be used for practical applications. Our
calculated results of magnetic transition temperatures and magnetic anisotropy
energies are comparable to many a established two-dimensional magnets. These
put together widen the prospect of these i-MXenes for multiple usage as
magnetic devices making them attractive for further investigation.
