Lattice Reconstruction and Orbital Hybridization Suppress Magnetism in TaCo2Te2
Abstract
Structural reconstruction in low-dimensional quantum materials can strongly modify electronic symmetry and magnetic stability through orbital hybridization. Here, we investigate the interplay between lattice reconstruction, electronic structure, and magnetic instability in the layered van der Waals compound TaCo2Te2 using scanning tunneling microscopy and spectroscopy (STM/STS), non-contact atomic force microscopy (nc-AFM), angle-resolved photoemission spectroscopy (ARPES), and density functional theory (DFT). While nc-AFM resolves a distorted hexagonal Te surface lattice, STM/STS reveal a pronounced square-like electronic symmetry that does not directly follow the atomic structure. ARPES further shows a strongly anisotropic Fermi surface and reconstructed low-energy states. Spatially resolved spectroscopy and orbital-projected DFT demonstrate that the bias-dependent STM contrast does not arise from a simple reversal between occupied and unoccupied states, but from the energy-integrated local density of states dominated by electronic states exhibiting opposite spatial contrast at selected energies. DFT calculations further show that reconstruction suppresses the magnetic instability present in the undistorted structure, stabilizing a nonmagnetic ground state through enhanced orbital hybridization. These results establish TaCo2Te2 as a model system in which lattice reconstruction reorganizes electronic symmetry and suppresses magnetism, highlighting structural reconstruction as a route for controlling correlated and magnetic phases in low-dimensional quantum materials.
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