Quantum anomalous Hall phase in (001) double-perovskite monolayers via intersite spin-orbit coupling

TL;DR

This paper proposes a method to realize a quantum anomalous Hall phase in (001) double-perovskite monolayers through intersite spin-orbit coupling, supported by theoretical models and first-principles calculations, with potential for sizable energy gaps.

Contribution

It introduces a novel mechanism for inducing QAH phases via intersite spin-orbit coupling in double-perovskite monolayers, supported by first-principles calculations.

Findings

QAH phase can be achieved in La2MnIrO6 monolayers.

The QAH gap can reach up to 26 meV.

Structural distortions and Hubbard U influence the electronic topology.

Abstract

Using tight-binding models and first-principles calculations, we demonstrate the possibility to achieve a quantum anomalous Hall (QAH) phase on a two-dimensional square lattice, which can be realized in monolayers of double perovskites. We show that effective intersite spin-orbit coupling between eg orbitals can be induced perturbatively, giving rise to a QAH state. Moreover, the effective spin-orbit coupling can be enhanced by octahedral rotations. Based on first-principles calculations, we propose that this type of QAH state could be realized in La2MnIrO6 monolayers, with the size of the gap as large as 26 meV in the ideal case. We observe that the electronic structure is sensitive to structural distortions, and that an enhanced Hubbard U tends to stabilize the nontrivial gap.