Heavy fermions vs doped Mott physics in heterogeneous Ta-dichalcogenide bilayers

Lorenzo Crippa (), Hyeonhu Bae, Paul Wunderlich, Igor I. Mazin, Binghai Yan, Giorgio Sangiovanni, Tim Wehling and Roser Valentí ()
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Lorenzo Crippa: Universität Würzburg
Hyeonhu Bae: Weizmann Institute of Science
Paul Wunderlich: Goethe Universität Frankfurt
Igor I. Mazin: George Mason University
Binghai Yan: Weizmann Institute of Science
Giorgio Sangiovanni: Universität Würzburg
Tim Wehling: University of Hamburg
Roser Valentí: Goethe Universität Frankfurt

Nature Communications, 2024, vol. 15, issue 1, 1-8

Abstract: Abstract Controlling and understanding electron correlations in quantum matter is one of the most challenging tasks in materials engineering. In the past years a plethora of new puzzling correlated states have been found by carefully stacking and twisting two-dimensional van der Waals materials of different kind. Unique to these stacked structures is the emergence of correlated phases not foreseeable from the single layers alone. In Ta-dichalcogenide heterostructures made of a good metallic “1H”- and a Mott insulating “1T”-layer, recent reports have evidenced a cross-breed itinerant and localized nature of the electronic excitations, similar to what is typically found in heavy fermion systems. Here, we put forward a new interpretation based on first-principles calculations which indicates a sizeable charge transfer of electrons (0.4-0.6 e) from 1T to 1H layers at an elevated interlayer distance. We accurately quantify the strength of the interlayer hybridization which allows us to unambiguously determine that the system is much closer to a doped Mott insulator than to a heavy fermion scenario. Ta-based heterolayers provide therefore a new ground for quantum-materials engineering in the regime of heavily doped Mott insulators hybridized with metallic states at a van der Waals distance.

Date: 2024
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DOI: 10.1038/s41467-024-45392-y

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