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      Misfit Layer Compounds as Ultratunable Field Effect Transistors: From Charge Transfer Control to Emergent Superconductivity

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          Abstract

          Misfit layer compounds are heterostructures composed of rocksalt units stacked with few-layer transition metal dichalcogenides. They host Ising superconductivity, charge density waves, and good thermoelectricity. The design of misfits’ emergent properties is, however, hindered by the lack of a global understanding of the electronic transfer among the constituents. Here, by performing first-principles calculations, we unveil the mechanism controlling the charge transfer and demonstrate that rocksalt units are always donor and dichalcogenides acceptors. We show that misfits behave as a periodic arrangement of ultratunable field effect transistors where a charging as large as ≈6 × 10 14 e cm –2 can be reached and controlled efficiently by the La–Pb alloying in the rocksalt. Finally, we identify a strategy to design emergent superconductivity and demonstrate its applicability in (LaSe) 1.27(SnSe 2) 2. Our work paves the way to the design synthesis of misfit compounds with tailored physical properties.

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          Generalized Gradient Approximation Made Simple

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            Hybrid functionals based on a screened Coulomb potential

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              Q uantum ESPRESSO toward the exascale

              Quantum ESPRESSO is an open-source distribution of computer codes for quantum-mechanical materials modeling, based on density-functional theory, pseudopotentials, and plane waves, and renowned for its performance on a wide range of hardware architectures, from laptops to massively parallel computers, as well as for the breadth of its applications. In this paper, we present a motivation and brief review of the ongoing effort to port Quantum ESPRESSO onto heterogeneous architectures based on hardware accelerators, which will overcome the energy constraints that are currently hindering the way toward exascale computing.
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                Author and article information

                Journal
                Nano Lett
                Nano Lett
                nl
                nalefd
                Nano Letters
                American Chemical Society
                1530-6984
                1530-6992
                07 July 2023
                26 July 2023
                : 23
                : 14
                : 6658-6663
                Affiliations
                []Department of Physics, University of Trento , Via Sommarive 14, 38123 Povo, Italy
                []Sorbonne Université , CNRS, Institut des Nanosciences de Paris, UMR7588, F-75252 Paris, France
                []Graphene Laboratories, Fondazione Istituto Italiano di Tecnologia , Via Morego, I-16163 Genova, Italy
                Author notes
                Author information
                https://orcid.org/0000-0001-8347-5658
                https://orcid.org/0000-0003-2619-0925
                https://orcid.org/0000-0003-1505-2535
                Article
                10.1021/acs.nanolett.3c01860
                10375578
                37418339
                7c8bc117-e86d-48a9-81e7-bfbf7a495981
                © 2023 The Authors. Published by American Chemical Society

                Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained ( https://creativecommons.org/licenses/by/4.0/).

                History
                : 18 May 2023
                : 03 July 2023
                Funding
                Funded by: Graphene Flagship, doi 10.13039/100017697;
                Award ID: 881603
                Categories
                Letter
                Custom metadata
                nl3c01860
                nl3c01860

                Nanotechnology
                2d materials,heterostructures,doping,superconductivity
                Nanotechnology
                2d materials, heterostructures, doping, superconductivity

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