Atomic and electronic structures of amorphous Al2O3

The atomic structure of amorphous Al 2 O 3 has been determined using a molecular dynamics simulation. The local electronic structures of the simulated amorphous structure and of the crystalline structure of Al 2 O 3 were investigated using first principle cluster calculations. The calculated partial densities of states for the two structures are compared with their photoelectron spectra. We find that there is a local oxygen deficiency around Al atoms in amorphous Al 2 O 3 , which results in a different local electronic structure in amorphous Al 2 O 3 . We also show with our calculations and photoelectron spectroscopy that Al 2 O 3 thin films have both crystalline and amorphous properties.