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    2-D Materials for Ultrascaled Field-Effect Transistors: One Hundred Candidates under the Ab Initio Microscope
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    • Cedric Klinkert
      Cedric Klinkert
      Integrated System Laboratory, ETH Zurich, CH-8092 Zurich, Switzerland
      More by Cedric Klinkert
    • Áron Szabó
      Áron Szabó
      Integrated System Laboratory, ETH Zurich, CH-8092 Zurich, Switzerland
      More by Áron Szabó
    • Christian Stieger
      Christian Stieger
      Integrated System Laboratory, ETH Zurich, CH-8092 Zurich, Switzerland
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    • Davide Campi
      Davide Campi
      Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland
      More by Davide Campi
      Orcidhttp://orcid.org/0000-0002-6278-4352
    • Nicola Marzari
      Nicola Marzari
      Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland
      More by Nicola Marzari
      Orcidhttp://orcid.org/0000-0002-9764-0199
    • Mathieu Luisier*
      Mathieu Luisier
      Integrated System Laboratory, ETH Zurich, CH-8092 Zurich, Switzerland
      *Email: [email protected]
      More by Mathieu Luisier
      Orcidhttp://orcid.org/0000-0002-2212-7972
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    ACS Nano

    Cite this: ACS Nano 2020, 14, 7, 8605–8615
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    https://doi.org/10.1021/acsnano.0c02983
    Published June 12, 2020
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    Abstract

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    Due to their remarkable properties, single-layer 2-D materials appear as excellent candidates to extend Moore’s scaling law beyond the currently manufactured silicon FinFETs. However, the known 2-D semiconducting components, essentially transition metal dichalcogenides, are still far from delivering the expected performance. Based on a recent theoretical study that predicts the existence of more than 1800 exfoliable 2-D materials, we investigate here the 100 most promising contenders for logic applications. Their current versus voltage characteristics are simulated from first-principles, combining density functional theory and advanced quantum transport calculations. Both n- and p-type configurations are considered, with gate lengths ranging from 15 down to 5 nm. From this large collection of electronic materials, we identify 13 compounds with electron and hole currents potentially much higher than those in future Si FinFETs. The resulting database widely expands the design space of 2-D transistors and provides original guidelines to the materials and device engineering community.

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    • Electron/hole current vs voltage characteristics, sub-threshold swing vs gate length, unit cell, band structure, injection velocity, transport and density of states effective masses, dielectric constants, and pass factor of the 100 2-D materials considered in this work (PDF)

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    ACS Nano

    Cite this: ACS Nano 2020, 14, 7, 8605–8615
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acsnano.0c02983
    Published June 12, 2020
    Copyright © 2020 American Chemical Society
    Request reuse permissions

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