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  2. Heterogeneous Ta-dichalcogenide bilayer: heavy fermions or doped Mott physics?
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    Datenpaket: Heterogeneous Ta-dichalcogenide bilayer: heavy fermions or doped Mott physics?

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    Titel:
    Heterogeneous Ta-dichalcogenide bilayer: heavy fermions or doped Mott physics?
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    Beschreibung:
    (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.
    Schlagworte:
    Strongly correlated electron systems
    Kondo insulator
    TMDC Heterostructure
    Density Functional Theory
    Dynamical Mean-Field Theory
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    Sprache:
    Englisch
    Herausgeber/in:
    University of Würzburg
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    Fachgebiet:
    Physics
    Condensed Matter Theory
    Objekttyp:
    Dataset
    Datenquelle:
    (Other) Computer Simulation
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    Software für Datenerhebung
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    VASP - 6.4.2
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    w2dynamics - 1.1.4
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    Förderung:
    Deutsche Forschungsgemeinschaft - (QUAST FOR 5249) 449872909
    European Research Council - (NonlinearTopo) 815869
    Israel Science Foundation - (Personal Research Grant)(2932/21)
    Office of Naval Research (N00014-23-1-2480)
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    Status:
    Publiziert
    Eingestellt von:
    7351154dab1d835c1efa16643f75e854
    Erstellt am:
    Archivierungsdatum:
    2024-01-23
    Archivgröße:
    49,5 MB
    Archiversteller:
    dd7b509482ad0a11773b217cbbcdf32f
    Archiv-Prüfsumme:
    959ad6d9bb77510297a3cac3d701bcd1 (MD5)
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