Topological quantum effects in ferroelectric thin films via transition metal doping
Phys. Rev. B 113, 155434 – Published 20 April, 2026
DOI: https://doi.org/10.1103/nht7-45nj
Abstract
Most topological insulators suffer from intrinsically narrow band gaps, limiting their practical applications. Using tight-binding modeling and first-principles calculations, we show that in the topological state and band gap of the ferroelectric bilayer () can be effectively tuned by controlling the hybridization strength between Se and orbitals through transition metal substitution at In sites. This mechanism is demonstrated in a van der Waals Heterostructure (vdWH), where enhanced charge transfer from Sc states to Se atoms strengthens the orbitals' hybridization and enlarges the quantum spin Hall gap to 36 meV. Magnetic Cr substitution further yields a vdWH with a sizable meV quantum anomalous Hall gap and compressive strain-driven topological phase transitions—from a trivial magnetic insulator () to a Chern insulator (), and finally, to a magnetic topological metal (). These results establish a viable strategy for engineering band gaps and topological phases for low-power spintronic and quantum technologies.