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Valley-Engineering Mobilities in Two-Dimensional Materials.

Thibault Sohier1, Marco Gibertini2, Davide Campi1

  • 1Theory 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.

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Summary

Applying uniaxial strain to two-dimensional materials like arsenene significantly boosts electron mobility by suppressing intervalley scattering. This strain engineering approach enhances semiconductor performance for future electronics.

Keywords:
2D materialselectron−phonon scatteringintervalleymobilitytransport

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Nanotechnology

Background:

  • Two-dimensional (2D) materials offer potential for advanced field-effect transistors (FETs).
  • Improving charge carrier mobility in 2D semiconductors is crucial for high-performance electronic devices.
  • Intrinsic scattering mechanisms, particularly electron-phonon and intervalley scattering, limit charge transport in 2D materials.

Purpose of the Study:

  • To investigate the impact of strain engineering on the electronic properties of 2D materials.
  • To demonstrate a method for suppressing intervalley scattering and enhancing charge carrier mobility.
  • To explore the potential of uniaxial strain as a tool for optimizing semiconductor performance in 2D materials.

Main Methods:

  • Theoretical investigation using density functional theory (DFT) calculations.
  • Application of uniaxial strain to model 2D material structures (arsenene, antimonene, blue phosphorene).
  • Analysis of electronic band structures and scattering pathways under strain.

Main Results:

  • Uniaxial strain effectively lifts degeneracies in the electronic band structure of arsenene.
  • A 2% uniaxial strain suppresses scattering into four out of six valleys in arsenene.
  • This suppression results in a significant increase in charge carrier mobility, up to 600% in arsenene.

Conclusions:

  • Strain engineering of the valley structure is a powerful strategy for enhancing charge transport in 2D materials.
  • The demonstrated mechanism is applicable to various 2D materials, including antimonene and blue phosphorene.
  • This research provides a pathway for designing high-mobility semiconductors for next-generation ultrathin electronic devices.