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Updated: Jul 4, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Formation of dispersive hybrid bands at an organic-metal interface
N Gonzalez-Lakunza1, I Fernández-Torrente, K J Franke
1Departamento de Física de Materiales, Facultad de Química, UPV/EHU, San Sebastián, Spain.
Abstract:
An electronic band with quasi-one-dimensional dispersion is found at the interface between a monolayer of a charge-transfer complex (TTF-TCNQ) and a Au(111) surface. Combined local spectroscopy and numerical calculations show that the band results from a complex mixing of metal and molecular states. The molecular layer folds the underlying metal states and mixes with them selectively, through the TTF component, giving rise to anisotropic hybrid bands. Our results suggest that, by tuning the components of such molecular layers, the dimensionality and dispersion of organic-metal interface states can be engineered.
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