Comment On "A modified Lennard-Jones-type equation of state for solids strictly satisfying the spinodal condition"
The cohesive energies of solids calculated using mGLJ EOS proposed by Sun Jiuxun (Sun Jiuxun, J. Phys.: Condens. Matter 17, L103 (2005)) are seen to be erroneous. Also we observed that the thermodynamic properties calculated using the mGLJ potential diverge for materials whose pressure derivative of bulk modulus at equilibrium is less than 5. Thus the mGLJ potential cannot be used in liquid state theories and molecular simulations to obtain thermodynamic properties.
cond-mat.mtrl-sci↗