Calculation of band structure, dielectric function and electron energy loss spectrum of bilayer h-BN under biaxial strain

Document Type : Full length research Paper

Author

Department of Engineering Physics, Kermanshah University of Technology, Kermanshah, Iran

Abstract

In this study, the electronic and optical properties of bilayer h-BN under in-plane biaxial strain were investigated using density functional theory. The total energy calculations show that the AB stacking configuration is more stable than AA stacking configuration. The strain-free bilayer h-BN has an indirect band gap of 4/33 eV along the K M direction. By applying the compressive strain the conduction band minimum at the M point moves upward and the conduction band edge at the point moves downward. The optical spectra of bilayer h-BN, including the dielectric function and electron energy loss spectrum, move to lower (higher) energies under tensile (compressive) strain.

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References

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History

  • Receive Date: 12 October 2018
  • Revise Date: 26 October 2019
  • Accept Date: 27 January 2020

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