Simulating STEM images - can we see bonds?

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• Prof Jonathan Yates, Dept Materials, Oxford.
• Wednesday 13 November 2019, 14:00-15:00
• Metallurgy and Materials, GC13.

If you have a question about this talk, please contact Andrew Morris.

The electron charge density is of fundamental importance to the physics of materials. It is the redistribution of electrons that occurs when atoms bond which distinguishes materials from collections of independent atoms. It is also the case that the ground state properties of any material system can be determined from the electron charge density. The is the basis of Density Functional Theory (DFT), the most widely used and successful technique for modelling materials at the atomic scale. While DFT has been hugely successful as a tool for modeling materials systems quantum mechanically, the approximations used to make such calculations practical mean that there remains an important role for experiments to verify and inform DFT results.

I will show how phase imaging in electron microscopy is sensitive to the effect of charge redistribution from bonding. In particular how electron ptychography, performed in the STEM microscope, provides the necessary sensitivity to detect this subtle effect by directly imaging the charge redistribution in single layer boron nitride.

This talk is part of the School of Metallurgy and Materials Colloquia series.

This talk is included in these lists:

• Metallurgy and Materials, GC13
• School of Metallurgy and Materials Colloquia

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