The effect of the size of the GaAs barrier and the ${\text{Ga}}_{1-x}{\text{In}}_x\text{As}$ well on the structural properties of a ${\text{Ga}}_{1-x}{\text{In}}_x\text{As}/\text{GaAs}$ multiple quantum well structure is investigated using the Metropolis Monte Carlo approach based on a well-parametrized Tersoff potential. It is found that within the well the Ga-As and In-As bond lengths undergo contractions whose magnitude increases with increasing In content in sharp contrast with bond-length variations in the bulk ${\text{Ga}}_{1-x}{\text{In}}_x\text{As}$ systems. For fixed barrier size and In content, the contraction of the bonds is also found to increase with increasing size of the well. Using the local atomic structure of the heterostructures, a more local analysis of the strain state of the systems is given and comparison with the prediction of macroscopic continuum elasticity theory shows deviations from the latter.

• Received 22 July 2008

DOI:https://doi.org/10.1103/PhysRevB.78.165326