AlN thin films have been grown on Si (100) substrates by reactive ion beam sputter deposition (IBSD) at different substrate temperatures varying from room temperature (RT) to 500oC. Substrate temperature induced microstructural transition from amorph
ous at RT, nanocrystalline at 300oC to microcrystalline at 400oC has been observed by Transmission Electron Microscopy (TEM). Average surface roughness (Ra) and morphology has been explored by using Atomic Force Microscopy (AFM). UV-VIS spectrophotometry has been employed to probe the substrate temperature induced changes in optical band-gap (Eg) of grown thin films in reflectance mode. It was found that Eg was increased from 5.08 to 5.21 eV as substrate temperature was increased from RT to 500oC. Urbach energy tail (Eu) along with weak absorption tail (WAT) energy (Et) have been estimated to account for the optical disorder which was found to decrease with associated increase in Eg.
We present Synchrotron XRD measurements on powdered single crystal samples of BaFe2-xRuxAs2 samples, as a function of Ru content at room temperature. The Rietveld refinements reveal that the a-axis increases with Ru substitution, while the c-axis dec
reases. The variation of positional co-ordinates of As (zAs), the Fe-As bond length and the As-Fe-As bond angles have been determined from the Rietveld refinements. In the sample with x=0.1, temperature dependent XRD measurements were carried out. The results indicate that while the orthorhombicity shows the characteristic increase with decrease in temperature, the As-Fe-As bond angles, Fe-As bond length and positional co-ordinate of the As show definite anomalies close to the structural transition. First principle ab-initio simulations are performed in order to understand the experimentally observed anomalies in structural parameters. The experimental observations are discussed in the context of the simulation results.
