Litcius/Paper detail

Preferential out-of-plane conduction and quasi-one-dimensional electronic states in layered 1T-TaS2

Edoardo Martino, A. Pisoni, Luka Ćirić, Alla Arakcheeva, H. Berger, Ana Akrap, Carsten Putzke, Philip J. W. Moll, I. Batistić, Eduard Tutiš, L. Forró, Konstantin Semeniuk

2020npj 2D Materials and Applications52 citationsDOIOpen Access PDF

Abstract

Abstract Layered transition metal dichalcogenides (TMDs) are commonly classified as quasi-two-dimensional materials, meaning that their electronic structure closely resembles that of an individual layer, which results in resistivity anisotropies reaching thousands. Here, we show that this rule does not hold for 1T-TaS 2 —a compound with the richest phase diagram among TMDs. Although the onset of charge density wave order makes the in-plane conduction non-metallic, we reveal that the out-of-plane charge transport is metallic and the resistivity anisotropy is close to one. We support our findings with ab initio calculations predicting a pronounced quasi-one-dimensional character of the electronic structure. Consequently, we interpret the highly debated metal-insulator transition in 1T-TaS 2 as a quasi-one-dimensional instability, contrary to the long-standing Mott localisation picture. In a broader context, these findings are relevant for the newly born field of van der Waals heterostructures, where tuning interlayer interactions (e.g., by twist, strain, intercalation, etc.) leads to new emergent phenomena.

Topics & Concepts

Condensed matter physicsCharge density waveAnisotropyvan der Waals forcePhase diagramMaterials scienceContext (archaeology)Electronic structureAb initioHeterojunctionAb initio quantum chemistry methodsElectrical resistivity and conductivityPhysicsPhase (matter)Quantum mechanicsSuperconductivityMoleculeBiologyPaleontology2D Materials and ApplicationsGraphene research and applicationsZnO doping and properties