Electronic structure of ZnO from x-ray spectroscopy Andrew Preston

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Electronic structure of ZnO from x-ray spectroscopy Andrew Preston

Co-authors Ben Ruck –Victoria University of Wellington Louis Piper, Alex DeMasi and Kevin Smith –Boston University Andre Schleife, Frank Fuchs and Friedhelm Bechstedt –Friedrich-Schiller-Universitat Jessica Chai and Steve Durbin –University of Canterbury

Zinc oxide

Zn 2+ = [Ar]3d 10 O 2- = [Ne]

Zinc oxide

Quantum mechanics –Discrete states for energy eigenvalues Crystalline material –Crystal momentum affects eigenvalues ZnO electronic structure

X-ray absorption (XAS) EfEf Empty Filled

X-ray emission (XES) Empty Filled

ZnO electronic structure

ZnO XAS and XES

ZnO anisotropy ZnO crystal O p orbitals

ZnO anisotropy

ZnO XAS and XES

ZnO RXES

ZnO p xy band structure

ZnO p z band structure

arXiv:

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