Electronic structure of ZnO from x-ray spectroscopy Andrew Preston andrew@preston.co.nz

Electronic structure of ZnO from x-ray spectroscopy

Andrew Preston

andrew@preston.co.nz

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

arXiv:0805.4641

andrew@preston.co.nz