Lateral Interfaces of Transition Metal Dichalcogenides: A Stable Tunable One-Dimensional Physics Platform
Oscar \'Avalos-Ovando, Diego Mastrogiuseppe, Sergio E. Ulloa

TL;DR
This paper investigates the properties of lateral heterostructures of transition-metal dichalcogenides, revealing highly localized 1D interface states with complex spin-orbital features, modeled through a tight-binding approach, with implications for quantum and spintronic applications.
Contribution
It introduces a realistic three-orbital tight-binding model for 1D interface states in TMD heterostructures, highlighting their long-range, spin-orbit coupled interactions and potential for tunable quantum platforms.
Findings
Identification of highly localized 1D interface states within the bandgap.
Modeling of long-range hopping and strong spin-orbit coupling effects.
Proposal of TMD interfaces as stable, tunable platforms for quantum phenomena.
Abstract
We study in-plane lateral heterostructures of commensurate transition-metal dichalcogenides, such as MoS-WS and MoSe-WSe, and find interfacial and edge states that are highly localized to these regions of the heterostructure. These are one-dimensional (1D) in nature, lying within the bandgap of the bulk structure and exhibiting complex orbital and spin structure. We describe such heteroribbons with a three-orbital tight-binding model that uses first principles and experimental parameters as input, allowing us to model realistic systems. Analytical modeling for the 1D interfacial bands results in long-range hoppings due to the hybridization along the interface, with strong spin-orbit couplings. We further explore the Ruderman-Kittel-Kasuya-Yosida indirect interaction between magnetic impurities located at the interface. The unusual features of the interface states…
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