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Generic Approach to Intrinsic Magnetic Second-order Topological Insulators via Inverted $p-d$ Orbitals

Mesoscale and Nanoscale Physics 2024-09-24 v1 Strongly Correlated Electrons

Abstract

The integration of intrinsically magnetic and topologically nontrivial two-dimensional materials holds tantalizing prospects for the exotic quantum anomalous Hall insulators and magnetic second-order topological insulators (SOTIs). Compared with the well-studied nonmagnetic counterparts, the pursuit of intrinsic magnetic SOTIs remains limited. In this work, we address this gap by focusing on pdp-d orbitals inversion, a fundamental but often overlooked phenomena in the construction of topological materials. We begin by developing a theoretical framework to elucidate pdp-d orbitals inversion through a combined density-functional theory calculation and Wannier downfolding. Subsequently we showcase the generality of this concept in realizing ferromagnetism SOTIs by identifying two real materials with distinct lattices: 1TT-VS2_2 in a hexagonal lattice, and CrAs monolayer in a square lattice. We further compare it with other mechanisms requiring spin-orbit coupling and explore the similarities to topological Kondo insulators. Our findings establish a generic pathway towards intrinsic magnetic SOTIs.

Keywords

Cite

@article{arxiv.2405.11420,
  title  = {Generic Approach to Intrinsic Magnetic Second-order Topological Insulators via Inverted $p-d$ Orbitals},
  author = {Zhao Liu and Bing Liu and Yuefeng Yin and Nikhil V. Medhekar},
  journal= {arXiv preprint arXiv:2405.11420},
  year   = {2024}
}

Comments

4 figures, all comments are welcomed !