Influence of deposition conditions on the microstructure of oxides thin films

Thin films of ZrO2, HfO2 and TiO2 were deposited on kinds of substrates by electron beam evaporation (EB), ion assisted deposition (IAD) and dual ion beam sputtering (DIBS). Then some of them were annealed at different temperatures. X-ray diffraction (XRD) was applied to determine the crystalline phase and the grain size of these films, and the results revealed that their microstructures strongly depended on the deposition conditions such as substrate, deposition temperature, deposition method and annealing temperature. Theory of crystal growth and migratory diffusion were applied to explain the difference of crystalline structures between these thin films deposited and treated under various conditions. (c) 2007 Elsevier B.V. All rights reserved.

Triel Bonds, pi-Hole-pi-Electrons Interactions in Complexes of Boron and Aluminium Trihalides and Trihydrides with Acetylene and Ethylene

MP2/aug-cc-pVTZ calculations were performed on complexes of aluminium and boron trihydrides and trihalides with acetylene and ethylene. These complexes are linked through triel bonds where the triel center (B or Al) is characterized by the Lewis acid properties through its -hole region while -electrons of C2H2 or C2H4 molecule play the role of the Lewis base. Some of these interactions possess characteristics of covalent bonds, i.e., the Al--electrons links as well as the interaction in the BH3-C2H2 complex. The triel--electrons interactions are classified sometimes as the 3c-2e bonds. In the case of boron trihydrides, these interactions are often the preliminary stages of the hydroboration reaction. The Quantum Theory of Atoms in Molecules as well as the Natural Bond Orbitals approach are applied here to characterize the -hole--electrons interactions.