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