L. Pardini, S. Löffler, G. Biddau, R. Hambach, U. Kaiser, C. Draxl, P. Schattschneider:
"Mapping Atomic Orbitals with the Transmission Electron Microscope: Images of Defective Graphene Predicted from First-Principles Theory";
Physical Review Letters, 117 (2016), S. 036801 - 036805.

Kurzfassung englisch:
Transmission electron microscopy has been a promising candidate for mapping atomic orbitals for a long
time. Here, we explore its capabilities by a first-principles approach. For the example of defected graphene,
exhibiting either an isolated vacancy or a substitutional nitrogen atom, we show that three different kinds of
images are to be expected, depending on the orbital character. To judge the feasibility of visualizing orbitals
in a real microscope, the effect of the optics´ aberrations is simulated. We demonstrate that, by making use
of energy filtering, it should indeed be possible to map atomic orbitals in a state-of-the-art transmission
electron microscope.

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Erstellt aus der Publikationsdatenbank der Technischen Universität Wien.