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

Microsc Microanal. 2014 Jun;20(3):784-97. doi: 10.1017/S1431927614000610. Epub 2014 Mar 31.

Abstract

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.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Image Processing, Computer-Assisted / methods*
  • Microscopy, Electron, Scanning Transmission / methods*
  • Models, Theoretical
  • Oxides / analysis
  • Spectroscopy, Electron Energy-Loss*
  • Strontium / analysis
  • Titanium / analysis

Substances

  • Oxides
  • Titanium
  • strontium titanium oxide
  • Strontium