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Löffler, S., Motsch, V., & Schattschneider, P. (2013). A pure state decomposition approach of the mixed dynamic form factor for mapping atomic orbitals. Ultramicroscopy, 131, 39–45. https://doi.org/10.1016/j.ultramic.2013.03.021
E057-02 - Fachbereich Universitäre Serviceeinrichtung für Transmissions- Elektronenmikroskopie E138-03 - Forschungsbereich Functional and Magnetic Materials
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Journal:
Ultramicroscopy
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ISSN:
0304-3991
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Date (published):
2013
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Number of Pages:
7
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Publisher:
ELSEVIER
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Peer reviewed:
Yes
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Keywords:
Electronic, Optical and Magnetic Materials; Atomic and Molecular Physics, and Optics; Instrumentation; EFTEM; Inelastic scattering; Mixed dynamic form factor; Orbital mapping
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Abstract:
We demonstrate how the mixed dynamic form factor (MDFF) can be interpreted as a quadratic form. This makes it possible to use matrix diagonalization methods to reduce the number of terms that need to be taken into account when calculating the inelastic scattering of electrons in a crystal. It also leads in a natural way to a new basis that helps elucidate the underlying physics. The new method is applied to several cases to show its versatility. In particular, predictions are made for directly imaging atomic orbitals in crystals.
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Research Areas:
Quantum Modelling and Simulation: 50% Materials Characterization: 50%
