Structural characterization of III-V zinc blende compound semiconductors using Monte Carlo simulations

► Structural characterization of III-V semiconductors using Abell-Tersoff potential. ► Comparison of MC with previous studies using MD. ► MC predicted lattice constants show excellent agreement with literature data. ► MC predicted linear thermal expansivity higher than those determined from MD. ► Negligible bond stretching and bending at 1 bar and 300 K.