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Thursday 06 Jun 2013Title: Band Engineering With Atomic Layer Capacitors

Dr Keith T. Butler - Centre for Sustainable Chemical Technologies and Department of Chemistry, University of Bath

HAR/170 (3D Visualisation Suite) 14:00-15:00

Band energy discontinuities at materials interfaces represent a major source of efficiency loss in many electronic devices, for example light emitting diodes and photovoltaic cells. One of the major areas of research in development of new materials and architectures in electronic devices is designing materials with minimal band-offsets at interfaces. This is a major challenge since it is well documented that band structures at interfaces are determined not only by bulk properties but also by interface effects. In this talk some of the core concepts and challenges in the simulation of materials interface electronic structures will be considered. A number of paradigmatic examples of various types of interfaces will be presented to demonstrate the influence of charge transfer and interface dipoles on band alignments at interfaces, highlighting the role of dopant atoms and dipoles. Finally we will examine the case of conductive oxide interfaces, demonstrating how the careful growth of ultrathin films on the surface can be used to engineer the work function in order to reduce band offsets at otherwise discontinuous interfaces.

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