Distribution of Misfit Dislocations and Elastic Mechanical Stresses in Metamorphic Buffer InAlAs Layers of Various Constructions

Abstract

The equilibrium distributions of the misfit dislocation density ρ(z) and elastic stresses ε(z) are calculated along the direction of the epitaxial growth of the metamorphic InAlAs/GaAs(001) layer with higher In content (to 87 mol %) and various profiles of varying the composition: step, linear, and root. The calculations are performed using the method based on iteration searching for the minimum total energy of the system. It is shown that the largest differences between various constructions of the buffer layer are observed in the character of distributions ρ(z), rather than ε(z). Unlike the traditional constructions with a step and linear gradients of the composition, which are characterized by a quite homogeneous distribution of misfit dislocations, in a buffer layer with a root composition gradient, the main part of such dislocations is concentrated in the lower part of the layer near the heteroboundary with a GaAs substrate, and their density sharply decreases by more than one order of value along the layer thickness, achieving the value minimum for all abovementioned constructions. In spite of the fact that the important effect of interacting the dislocations to each other is not taken into account in this work, the calculations enable us to establish the main peculiarities of the distributions ρ(z) and ε(z) in various metamorphic buffer InAlAs layers, which were observed experimentally before. Thus, this approach can be effectively used when designing optimal constructions of the device metamorphic heterostructures.