Topological phases in the ordered double transition metal carbide MXenes (W2M2C3T2, M = Nb, Ta, or V; T = O or F)
Abstract
Two-dimensional MXenes continue to gain prominence in research due to their diverse possibilities in chemical composition and surface functionals which could lead to a variety of applications. Here, we investigate the ordered double transition metal MXenes (W2M2C3T2, M = Nb, Ta, or V; T = O or F) using first-principles calculations. We predict four MXenes, (W2Ta2C3O2, W2Nb2C3O2, W2V2C3O2, and W2V2C3F2 to exhibit nontrivial topological phases. Orbital analysis shows that the d orbitals of W and M atoms are the main contributors in the low energy physics of W2M2C3T2. The results of the study provides potential candidates of topological materials for experimental realization and spintronics application.
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