Work

Generic Approach to Intrinsic Magnetic Second-Order Topological Insulators via Inverted p–d Orbitals

Year: 2024

Type: article

Abstract: The integration of intrinsically magnetic and topologically nontrivial two-dimensional materials holds tantalizing prospects for exotic quantum anomalous Hall insulators and magnetic second-order topological insulators (SOTIs). Compared with their well-studied nonmagnetic counterparts, the pursuit of intrinsic magnetic SOTIs remains limited. In this work, we address this gap by focusing on p – d orbitals inversion, a fundamental but often overlooked phenomena in the construction of topological materials. We begin by developing a theoretical framework to elucidate p – d orbital 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: 1 T -VS 2 monolayer 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 toward intrinsic magnetic SOTIs.

Source: Nano Letters

DOI: 10.1021/acs.nanolett.4c03109

Authors: Zhao Liu, Bing Liu, Yuefeng Yin, Nikhil V. Medhekar

Institutions: ARC Centre of Excellence in Future Low-Energy Electronics Technologies, Monash University, Weifang University

Language: English

Topic: Topological Materials and Phenomena

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: green

Funders: National Natural Science Foundation of China, Natural Science Foundation of Shandong Province

Awards: G7101733542, G949176543