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| Paper IPM / P / 13484 |
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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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