Robust high-temperature topological excitonic insulator of transition-metal carbides (MXenes)

Abstract

Topological excitonic insulators combine topological edge states and spontaneous exciton condensation, with dual functionality of topological insulators and excitonic insulators. Yet, they are very rare and little is known about their formation. In this work, we find that a mechanism dubbed as parity frustration prevents excitonic instability in usual topological insulators, and those whose band inversion is independent of spin-orbit coupling are possible candidates. We verify this by first-principles calculations on monolayer transition-metal carbides (MXenes), which show a robust thermal-equilibrium exciton condensation, being sufficient for topological applications at room temperature. Such a state can be identified by angle-resolved photoemission spectroscopy and transport measurement. Our work provides not only a guide for finding more topological excitonic insulators, but also a new platform for studying the interplay between non-trivial band topology and quantum many-body effects.

Accepted by PRB

References in corpus (9)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Superconducting proximity effect and Majorana fermions at the surface of a topological insulator
• Topological Insulators with Inversion Symmetry
• Quantized Anomalous Hall Effect in Magnetic Topological Insulators
• Many-body perturbation theory calculations using the yambo code
• Evidence for an excitonic insulator phase in 1T-TiSe${}_2$
• Topological insulators in ordered double transition metals M${}_2^{\prime }$M$"$C${}_2$ (M${}^{\prime }$= Mo, W; M$"$= Ti, Zr, Hf) MXenes
• Evidence for equilibrium excitons and exciton condensation in monolayer WTe2
• Electric and magnetic multipoles and bond orders in excitonic insulators

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• Anisotropic moiré band flattening in twisted bilayers of M-valley MXenes
• Identifying topological excitonic insulators via bulk-edge correspondence
• Unconventional excitonic insulators in two-dimensional topological materials
• Optical conductivity of the topologically-nontrivial MXenes, Mo${}_2$HfC${}_2$O${}_2$ and W${}_2$HfC${}_2$O${}_2$: first-principles calculation and effective model analysis
• Spin-polarized triplet excitonic insulators in Ta3X8 (X=I, Br) monolayers