electronic structure of zno from x-ray spectroscopy andrew preston [email protected]
TRANSCRIPT
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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
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Zinc oxide
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Zinc oxide
• Zn2+ = [Ar]3d10 O2- = [Ne]
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Zinc oxide
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• Quantum mechanics– Discrete states for
energy eigenvalues
• Crystalline material– Crystal momentum
affects eigenvalues
ZnO electronic structure
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X-ray absorption (XAS)
Ef
Empty
Filled
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X-ray emission (XES)
Empty
Filled
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ZnO electronic structure
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ZnO XAS and XES
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ZnO anisotropy
ZnO crystal
O p orbitals
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ZnO anisotropy
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ZnO anisotropy
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ZnO XAS and XES
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ZnO XAS and XES
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ZnO XAS and XES
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ZnO RXES
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ZnO RXES
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ZnO RXES
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ZnO RXES
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ZnO RXES
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ZnO pxy band structure
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ZnO pz band structure