Topological phases in the ordered double transition metal carbide MXenes


In this poster, I will discuss the results of our study on two-dimensional MXenes which are materials that continue to gain prominence in research due to their diverse possibilities in chemical composition and surface functionals. We investigated a family of ordered double transition metal MXenes (W₂M₂C₃T₂, M = Nb, Ta, or V; T = O or F) using first-principles calculations. We found four MXenes with nontrivial topological phases, W₂Ta₂C₃O₂, W₂Nb₂C₃O₂, W₂V₂C₃O₂, and W₂V₂C₃F₂. Further analysis shows that the the main contributors in the low energy physics of W₂M₂C₃T₂ are the d orbitals of W and M atoms. The results of the study provides potential candidates of topological materials for experimental realization and spintronic device applications.