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Piezoelectric Effects in Surface-Engineered Two-Dimensional Group III Nitrides.

Yaguang Guo1, Huaiqiu Zhu, Qian Wang1

  • 1Key Laboratory of High Energy Density Physics Simulation , Ministry of Education , Beijing 100871 , China.

ACS Applied Materials & Interfaces
|December 15, 2018
PubMed
Summary

Stable two-dimensional (2D) group III nitrides (XN) exhibit piezoelectric effects. Hydrogenation and cofunctionalization enhance stability and piezoelectricity, enabling applications in semiconductor devices.

Keywords:
2D group III nitridesbuckled structuredensity functional theorypiezoelectricitysurface engineering

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Solid State Chemistry

Background:

  • Two-dimensional (2D) group III-V compounds are explored for semiconductor devices due to piezoelectric effects.
  • Existing 2D materials with piezoelectricity often rely on metastable or unstable structures, hindering experimental realization.
  • Advances in synthesizing 2D group III nitrides provide a new avenue for stable piezoelectric materials.

Purpose of the Study:

  • To investigate the piezoelectric properties of thermodynamically stable 2D group III nitrides (XN, X = Al, Ga, In).
  • To explore the impact of surface passivation, specifically hydrogenation (H-XN-H) and H-F cofunctionalization (F-XN-H), on piezoelectricity.
  • To elucidate the mechanisms governing piezoelectricity in these engineered 2D materials.

Main Methods:

  • Theoretical study of 2D group III nitrides (AlN, GaN, InN) with buckled hexagonal configurations.
  • Surface passivation techniques including hydrogenation and H-F cofunctionalization.
  • Analysis of structural, electronic, and chemical properties to correlate with piezoelectric coefficients.
  • Investigation of in-plane and out-of-plane piezoelectric effects under external strain.

Main Results:

  • Hydrogenated 2D nitrides (H-XN-H) exhibit both in-plane and out-of-plane piezoelectric effects in monolayer and multilayer forms.
  • Piezoelectricity is linked to structural, electronic, and chemical properties.
  • H-F cofunctionalization significantly enhances material stability and ionic polarization, leading to large in-plane piezoelectric coefficients.

Conclusions:

  • Stable, buckled 2D group III nitrides demonstrate significant piezoelectric properties.
  • Surface functionalization is a viable strategy to tune and enhance piezoelectricity in 2D materials.
  • This research opens pathways for developing novel 2D piezoelectric materials for advanced electronic device applications.