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Paper   IPM / P / 13484
School of Physics
  Title:   Modulation of electronic and mechanical properties of phosphorene through strain
1.  M. Elahi
2.  K. Khalij
3.  S.M. Tabatabaei
4.  M. Pourfath
5.  R. Asgari
  Status:   Published
  Journal: Phys. Rev. B
  Vol.:  91
  Year:  2015
  Pages:   115412
  Supported by:  IPM
We report a first-principles study on the elastic, vibrational, and electronic properties of recently synthesized phosphorene. By calculating Grüneisen parameters, we evaluate the frequency shift of Raman/infrared active modes via symmetric biaxial strain. We also study an inducing semiconductor-metal transition, the gap size, and effective mass of carriers in various strain configurations. Furthermore, we unfold the emergence of a peculiar Dirac-shaped dispersion for specific strain conditions, including the zigzag-oriented tensile strain. The observed linear energy spectrum has distinct velocities corresponding to each of its linear branches and is limited to the Γ−X direction in the Brillouin zone.

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