Theoretical study of the indium incorporation into III-V compounds revisited: The role of indium segregation and desorption

Abstract

Indium based III-V compounds are very important technological materials. However, the indium incorporation depends on several phenomena, among them, the influence of indium segregation has been the most studied. In this paper, we show that to predict accurately the energy levels of In based III-V quantum structures, besides the indium segregation, the indium desorption must also be considered. In order to verify this assumption, we consider InGaAs/GaAs quantum wells as a benchmark case, and simulate 48 different quantum wells comparing with photoluminescence results.

Investigation on Sb distribution for InSb/InAs sub-monolayer heterostructure using TEM techniques

“…The Muraki model was originally emerged to analyze the quantum well induced III-V material segregation that quantified the segregation phenomenon both inside the well and between the well and the overgrown capping layer along the growth direction. Some successful Muraki model induced segregation analyses include Sb distribution analysis in InAs/InAs 1−x Sb x type-II superlattices [37] and GaInSb/InAs strained-layer superlattices [53], or In distribution analysis in In x Ga 1−x As/GaAs heterostructure [30,54]. For segregation analysis, the ML sequencing has been rearranged primarily as per the model requirement where the maximum HAADF-STEM Sb composition of ∼10% has been positioned at ML1 and so on and so forth, illustrated in figure 3.…”

Comparing LDA-1/2, HSE03, HSE06 andG0W0approaches for band gap calculations of alloys

“…In this work, we compare the performance of the four aforementioned methods in describing the BG of alloys, a task which is more challenging than the calculation for isolated compounds. Zincblende In x Ga 1−x As and In x Ga 1−x N were chosen as benchmarks because In-based III-V compounds have unique optical and electronic properties, being often used in lasers, light-emitting diodes and detectors for optical communication, instrumentation and sensing [34][35][36]-therefore, an accurate prediction of the electronic properties of InGaAs and InGaN alloys is important. Apart from the technological importance, InAs and InN also pose a challenging work, because they are mispredicted by LDA and GGA as semimetals rather than semiconductors.…”