Comment on “Ideal strength and phonon instability in single-layerMoS2”

Abstract

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 ${\mathrm{MoS}}_{2}$. 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.