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arXiv · 1407.7706

Modulation of electronic and mechanical properties of phosphorene through strain

Mohammad Elahi·Kaveh Khaliji·Seyed Mohammad Tabatabaei·Mahdi Pourfath·Reza Asgari
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Abstract

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 first Brillouin zone.

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Mohammad Elahi, Kaveh Khaliji, Seyed Mohammad Tabatabaei, Mahdi Pourfath, Reza Asgari. 2015-03-25. Modulation of electronic and mechanical properties of phosphorene through strain. https://doi.org/10.1103/physrevb.91.115412

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