Simulation of probe position-dependent electron energy-loss fine structure.

Mark P Oxley, Myron D Kapetanakis, Micah P Prange, Maria Varela, Stephen J Pennycook, Sokrates T Pantelides

Microscopy and microanalysis : the official journal of Microscopy Society of America, Microbeam Analysis Society, Microscopical Society of Canada 2014 Jun

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We present a theoretical framework for calculating probe-position-dependent electron energy-loss near-edge structure for the scanning transmission electron microscope by combining density functional theory with dynamical scattering theory. We show how simpler approaches to calculating near-edge structure fail to include the fundamental physics needed to understand the evolution of near-edge structure as a function of probe position and investigate the dependence of near-edge structure on probe size. It is within this framework that density functional theory should be presented, in order to ensure that variations of near-edge structure are truly due to local electronic structure and how much from the diffraction and focusing of the electron beam.

Citation

Mark P Oxley, Myron D Kapetanakis, Micah P Prange, Maria Varela, Stephen J Pennycook, Sokrates T Pantelides. Simulation of probe position-dependent electron energy-loss fine structure. Microscopy and microanalysis : the official journal of Microscopy Society of America, Microbeam Analysis Society, Microscopical Society of Canada. 2014 Jun;20(3):784-97