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We examine the arsenic distribution and its influence on dopant activation in poly-crystalline CdTe1−xSex solar cell absorbers prepared by vapor transport deposition followed by CdCl2 annealing. For as-deposited CdTe:As, local-electrode atom probe (LEAP) tomography reveals non-uniform distributions of arsenic clusters in the top “doped” layers. Following CdCl2 annealing, secondary ion mass spectrometry suggests that arsenic has diffused into the entire CdTe layer, while LEAP tomography reveals dissolution of the clusters, with nearly uniform distribution of arsenic atoms in CdTe. Since the arsenic fraction (fAs) is 1 × 1018 cm−3, but the hole density ranges from 7.5 to 9.5 × 1015 cm−3, we hypothesize that a large fraction of the arsenic has been incorporated into interstitial sites or cadmium substitutional sites, resulting in limited dopant activation. 

Semiconductor quantum dots (QDs) are nanostructures that can enhance the performance of electronic devices due to their 3D quantization. Typically, heterovalent impurities, or dopants, are added to semiconducting QDs to provide extra electrons and improve conductivity. Since each QD is expected to contain a few dopants, the extra electrons and their parent dopants have been difficult to locate. In this work, we investigate the spatial distribution of the extra electrons and their parent donors in epitaxial InAs/GaAs QDs using local-electrode atom-probe tomography and self-consistent Schrödinger–Poisson simulations in the effective mass approximation. Although dopants are provided in both layers, the ionized donors primarily reside outside of the QDs, providing extra electrons that are contained within the QDs. Indeed, due to the quantum confinement-induced enhancement of the donor ionization energy within the QDs, a lower fraction of dopants within the QDs are ionized. These findings suggest a pathway toward the development of 3D modulation-doped nanostructures. 

We have investigated the origins of photoluminescence from quantum dot (QD) layers prepared by alternating depositions of sub-monolayers and a few monolayers of size-mismatched species, termed as sub-monolayer (SML) epitaxy, in comparison with their Stranski–Krastanov (SK) QD counterparts. Using measured nanostructure sizes and local In-compositions from local-electrode atom probe tomography as input into self-consistent Schrödinger–Poisson simulations, we compute the 3D confinement energies, probability densities, and photoluminescence (PL) spectra for both InAs/GaAs SML- and SK-QD layers. A comparison of the computed and measured PL spectra suggests one-dimensional electron confinement, with significant 3D hole localization in the SML-QD layers that contribute to their enhanced PL efficiency in comparison to their SK-QD counterparts. 

We have investigated the influence of non-stoichiometry and local atomic environments on carrier transport in GaAs(N)Bi alloy films using local-electrode atom probe tomography (LEAP) in conjunction with time-resolved terahertz photoconductivity measurements. The local concentrations of N, Bi, and excess As, as well as Bi pair correlations, are quantified using LEAP. Using time-resolved THz photoconductivity measurements, we show that carrier transport is primarily limited by excess As, with the highest carrier mobilities for layers with yBi > 0.035. 

We probe the conduction-band offsets (CBOs) and confined states at GaAs/GaAsNBi quantum wells (QWs). Using a combination of capacitance–voltage (C–V) measurements and self-consistent Schrödinger–Poisson simulations based on the effective mass approximation, we identify an N-fraction dependent increase in CBO, consistent with trends predicted by the band anti-crossing model. Using the computed confined electron states in conjunction with photoluminescence spectroscopy data, we show that N mainly influences the conduction band and confined electron states, with a relatively small effect on the valence band and confined hole states in the quaternary QWs. This work provides important insight toward tailoring CBO and confined electron energies, both needed for optimizing infrared optoelectronic devices.