The Basics of First Principles Calculation of EELS

Hidekazu Ikeno^a and Teruyasu Mizoguchi^b

^aResearch Organization for 21st Century, Osaka Prefecture University
^bInstitute of Industrial Science, University of Tokyo

Abstract: First principles calculation gives us fruitful information such as formation energy, atomic structure, and chemical bonding. Thus the combination of the first principles calculation and electron microscopy techniques is indispensable in the field of material science. Here, we are describing the basics of the first principles calculation and its application to EELS.

Key words: First principles calculation, electron energy loss spectroscopy, EELS, ELNES