2026-05-28T10:24:59Zhttps://www.radar-service.eu/oai/OAIHandler

10.58160/1252026-04-24T07:52:00Z

10.58160/125 Crippa, Lorenzo Lorenzo Crippa 0000-0002-2526-8906 University of Würzburg University of Würzburg 2023-2024 2024 Physics Condensed Matter Theory Strongly correlated electron systems Kondo insulator TMDC Heterostructure Density Functional Theory Dynamical Mean-Field Theory Open Access Creative Commons Attribution 4.0 International Crippa, Lorenzo 0000-0002-2526-8906 Sangiovanni, Giorgio 0000-0003-2218-2901 Bae, Hyeonhu 0000-0001-7276-6636 Yan, Binghai 0000-0003-2164-5839 Mazin, Igor 0000-0001-9456-7099 Wehling, Tim 0000-0002-5579-2231 Valentí, Roser 0000-0003-0497-1165 Sangiovanni, Giorgio 0000-0003-2218-2901 University of Würzburg Bae, Hyeonhu 0000-0001-7276-6636 Weizmann Institute of Science Yan, Binghai 0000-0003-2164-5839 Weizmann Institute of Science Mazin, Igor 0000-0001-9456-7099 George Mason University Wehling, Tim 0000-0002-5579-2231 Universität Hamburg Valenti, Roser 0000-0003-0497-1165 Goethe University Frankfurt 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. Computer Simulation en Deutsche Forschungsgemeinschaft https://ror.org/018mejw64 449872909 QUAST FOR 5249 European Research Council https://ror.org/0472cxd90 815869 NonlinearTopo Israel Science Foundation https://ror.org/04sazxf24 2932/21 Personal Research Grant Office of Naval Research https://ror.org/01awap711 N00014-23-1-2480 application/x-tar