Connection between negative charge transfer and reduced on-site Coulomb energy in the correlated topological metal
Phys. Rev. B 113, 165132 – Published 16 April, 2026
DOI: https://doi.org/10.1103/mffq-vfx2
Abstract
The layered transition metal dichalcogenide is a topological Dirac type-II metal. However, the Co -bands in do not exhibit the expected correlation-induced band narrowing seen in CoO. We address this conundrum by studying the electronic structure of using hard x-ray photoemission spectroscopy (HAXPES), x-ray absorption spectroscopy (XAS) and resonant-PES. We quantify the on-site Coulomb energy via single-particle partial density of states and the two-hole correlation satellite using valence band resonant-PES, and obtain = 3.0 eV for . Charge-transfer (CT) cluster model simulations of the experimental core-level Co PES and -edge XAS spectra of and CoO validate their contrasting electronic parameters: and CT energy are (3.0 eV, −2.0 eV) for , and (5.0 eV, 4.0 eV) for CoO, respectively. The hybridization strength for , and indicates that the reduced in is not due to . The increase in count by CT from ligand to Co site in is due to a negative and reduced . Yet, only because becomes a topological metal with type lowest energy excitations. The study reveals the connection between negative and reduced required for setting up the electronic structure framework for achieving topological behavior via band inversion in the correlated metal .