Determining the bonding in intermetallics using electron energy loss spectroscopy and density functional theory

1999 ◽  
Vol 7 (7) ◽  
pp. 829-833 ◽  
Author(s):  
G.A Botton ◽  
C.J Humphreys
Keyword(s):  
Density Functional Theory ◽  
Energy Loss ◽  
Electron Energy ◽  
Electron Energy Loss Spectroscopy ◽  
Density Functional ◽  
Functional Theory ◽  
Electron Energy Loss

Simulation of Probe Position-Dependent Electron Energy-Loss Fine Structure

2014 ◽  
Vol 20 (3) ◽  
pp. 784-797 ◽  
Author(s):  
Mark P. Oxley ◽  
Myron D. Kapetanakis ◽  
Micah P. Prange ◽  
Maria Varela ◽  
Stephen J. Pennycook ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Energy Loss ◽  
Electron Energy ◽  
Density Functional ◽  
Scanning Transmission Electron Microscope ◽  
Probe Position ◽  
Functional Theory ◽  
Edge Structure ◽  
Scanning Transmission ◽  
Electron Energy Loss

AbstractWe 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.

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