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Comment on “Ideal strength and phonon instability in single-layer MoS_{2} ”

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Li’s paper [Phys. Rev. B 85, 235407 (2012)] presents density functional theory (DFT) results of stress as a function of different strain states. The work of Cooper et al. [Phys. Rev. B 87, 035423 (2013)] performs the same DFT calculations as part of an investigation into the nonlinear elastic properties of MoS2. Some of the DFT results of Li are substantially different from our recently published paper, Cooper et al. [Phys. Rev. B 87, 035423 (2013)]. Although both papers agree on states of equibiaxial stress, there is substantial disagreement on states of uniaxial tensile stress. In this Comment we show that our DFT computations are properly executed and consistent across three different DFT codes, including the one used by Li.

  • Figure
  • Received 22 October 2013
  • Revised 20 March 2014

DOI:https://doi.org/10.1103/PhysRevB.90.167401

©2014 American Physical Society

Source: http://link.aps.org/doi/10.1103/PhysRevB.90.167401

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