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Band alignment and dipole formation at the hetero-interface still remain fascinating and, hence, are being intensively investigated. In this study, we experimentally investigate the dipole formation by employing a dielectric/dielectric (Al2O3/GeO2) interface. We investigate the dipole dependence on various post-deposition annealing (PDA) ambiences from the viewpoints of electrical extraction and the X-ray photoelectron spectroscopy measurement. The core level shift at the Al2O3/GeO2 interface is consistent with the dipole changes in various PDA ambiences. We discover that the dipole formation can be well explained by the interface gap state and charge neutrality level theory. These results further confirm the feasibility of gap state theory in explaining the band alignment at hetero-junctions. This study can be a booster to enhance the comprehension of dipole origin at hetero-junction interfaces. [ABSTRACT FROM AUTHOR]

A general modelling methodology has been developed to evaluate the effects of chemical interdiffusion and misfit dislocations on the performance of heterojunction solar cells made from highly mismatched materials. Results for the exemplar materials system CdS-CdTe are contrary to the widely held belief that such interdiffusion is beneficial to photovoltaic performance. In the model, recombination is presumed to take place at the cores of misfit dislocations, with the distribution of these dislocations in the interdiffused layer being calculated so as to minimise the total energy (an incidental result shows that the total number of dislocations is independent of the diffusion profile). The model takes calculated chemical profiles, optical absorption, and dislocation distributions from which the photovoltaic performance and recombination losses are evaluated. It was shown that for the realistic case in which the interdiffused region does not extend beyond the space charge region, the photovoltage losses dominate over any photocurrent gains. Methods to engineer mixed junctions that may increase solar conversion efficiency are discussed. [ABSTRACT FROM AUTHOR]

Accurate three dimensional reconstructions of atomic positions and full quantification of the information contained in atom probe microscopy data rely on understanding the physical processes taking place during field evaporation of atoms from needle-shaped specimens. However, the modeling framework for atom probe microscopy has only limited quantitative justification. Building on the continuum field models previously developed, we introduce a more physical approach with the selection of evaporation events based on density functional theory calculations. This model reproduces key features observed experimentally in terms of sequence of evaporation, evaporation maps, and depth resolution, and provides insights into the physical limit for spatial resolution. [ABSTRACT FROM AUTHOR]