Electronic Materials Letters

, Volume 10, Issue 1, pp 5–11

Ab initio calculations of electronic and optical properties of BeO nanosheet

  • Sh. Valedbagi
  • J. Jalilian
  • S. M. Elahi
  • S. Majidi
  • A. Fathalian
  • V. Dalouji
Article

Abstract

The electronic and the linear optical properties of BeO nanosheet and wurtzite structure are investigated by using the full potential linear augmented plane wave plus local orbital (FPLAPW+ lo) in the frame work of the density functional theory (DFT). The dielectric tensor is derived within the random phase approximation (RPA). Specifically, dielectric function, absorption coefficient, optical conductivity, extinction index, loss function, reflectivity and the refraction index of the BeO nanosheet are calculated for both parallel and perpendicular electric field polarizations. The results show that the optical conductivity in Ex starts with a gap about 5.89 eV confirms that BeO nanosheet has semiconductor property also the optical spectra are anisotropic along these two polarizations. The static refractive index of nanosheet is smaller than wurtzite structure.

Keywords

BeO nanosheet density functional theory electronic structure optical property 

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Copyright information

© The Korean Institute of Metals and Materials and Springer Science+Business Media Dordrecht 2014

Authors and Affiliations

  • Sh. Valedbagi
    • 1
  • J. Jalilian
    • 2
  • S. M. Elahi
    • 1
  • S. Majidi
    • 3
  • A. Fathalian
    • 4
  • V. Dalouji
    • 4
  1. 1.Plasma Physics Research Center, Science and Research BranchIslamic Azad UniversityTehranIran
  2. 2.Young Researchers Club, Kermanshah BranchIslamic Azad UniversityKermanshahIran
  3. 3.Department of PhysicIslamic Azad UniversitySaveh Branch, SavehIran
  4. 4.Department of PhysicsRazi UniversityKermanshahIran

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