Finding guiding principles to optimize properties of quantum anomalous Hall (QAH) insulators is of pivotal importance to fundamental science and applications. Here, we build a first-principles QAH material database of chirality and band gap, explore microscopic mechanisms determining the QAH material properties, and obtain a general physical picture that can comprehensively understand the QAH data. Our results reveal that the usually neglected Coulomb exchange is unexpectedly strong in a large class of QAH materials, which is the key to resolve experimental puzzles. Moreover, we identify simple indicators for property evaluation and suggest material design strategies to control QAH chirality and gap by tuning cooperative or competing contributions via magnetic co-doping, heterostructuring, spin-orbit proximity, etc. The work is valuable to future research of magnetic topological physics and materials.
@article{arxiv.2210.16873,
title = {Controllable chirality and band gap of quantum anomalous Hall insulators},
author = {Zhiming Xu and Wenhui Duan and Yong Xu},
journal= {arXiv preprint arXiv:2210.16873},
year = {2023}
}