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Updated: Jun 20, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Unveiling the Interlayer Interaction in a 1H/1T TaS2 van der Waals Heterostructure
Cosme G Ayani1,2, Mihovil Bosnar3,4, Fabian Calleja2
1Departamento de Física de la Materia Condensada, Universidad Autónoma de Madrid - Cantoblanco Campus, 28049 Madrid, Spain.
Abstract:
This study delves into the intriguing properties of the 1H/1T-TaS2 van der Waals heterostructure, focusing on the transparency of the 1H layer to the charge density wave of the underlying 1T layer. Despite the sizable interlayer separation and metallic nature of the 1H layer, positive bias voltages result in a pronounced superposition of the 1T charge density wave structure on the 1H layer. The conventional explanation relying on tunneling effects proves insufficient. Through a comprehensive investigation combining low-temperature scanning tunneling microscopy, scanning tunneling spectroscopy, non-contact atomic force microscopy, and first-principles calculations, we propose an alternative interpretation. The transparency effect arises from a weak yet substantial electronic coupling between the 1H and 1T layers, challenging prior understanding of the system. Our results highlight the critical role played by interlayer electronic interactions in van der Waals heterostructures to determine the final ground states of the systems.
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