English

Modulation of electronic and mechanical properties of phosphorene through strain

Mesoscale and Nanoscale Physics 2015-03-26 v2 Materials Science

Abstract

We report a first-principles study on the elastic, vibrational, and electronic properties of recently synthesized phosphorene. By calculating Gr\"uneisen 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 ΓX\Gamma-X direction in the first Brillouin zone.

Keywords

Cite

@article{arxiv.1407.7706,
  title  = {Modulation of electronic and mechanical properties of phosphorene through strain},
  author = {Mohammad Elahi and Kaveh Khaliji and Seyed Mohammad Tabatabaei and Mahdi Pourfath and Reza Asgari},
  journal= {arXiv preprint arXiv:1407.7706},
  year   = {2015}
}

Comments

8 pages, 5 figures