Understanding thickness effects in thin film capacitors

Pulsed Laser Deposition (PLD) was used to make Au/(Ba0.5Sr0.5)TiO3/(La0.5Sr0.5) CoO3/MgO thin film capacitor structures. Functional properties were studied with changing BST thickness from similar to1265 nm to similar to63 nm. The dielectric constant was found to decrease, and migration of T-m (the temperature at which the dielectric constant is maximum) to lower temperatures occurred as thickness was reduced. Curie-Weiss plots of the as-obtained dielectric data, indicated that the Curie temperature was also systemmatically progressively depressed. Further, fitting to expressions previously used to describe diffuse phase transitions suggested increased diffuseness in transformation behaviour as film thickness decreased. This paper discusses the care needed in interpreting the observations given above. We make particular distinction between the apparent Curie-temperature derived from Curie-Weiss plots of as-measured data, and the inherent Curie temperature determined after correction for the interfacial capacitance. We demonstrate that while the apparent Curie temperature decreases as thickness decreases, the inherent Curie temperature is thickness independent. Thickness-invariant phase transition behaviour is confirmed from analysis of polarisation loops, and from examination of the temperature dependence of the loss-tangent. We particularly note that correction of data for interfacial capacitance does not alter the position of T-m. We must therefore conclude that the position of T-m is not related simply to phase transformation behaviour in BST thin films.

Methane transformation to carbon and hydrogen on Pd(100): Pathways and energetics from density functional theory calculations

Density functional theory with gradient corrections has been employed to study the reaction pathways and the reaction energetics for the transformations of CH4 to C and H on a Pd(100) surface. On examination of transition state structures identified in each elementary reaction, a clear relationship between the valencies of the CHx fragments and the locations of the transition states emerges. The higher the valency of the CHx fragment, the higher the coordination number of the CHx with the surface atoms. The calculated reaction energetics are in good agreement with the experiments. In addition, calculation results are also used to illustrate an interesting issue concerning the CH3 stability on Pd surfaces. (C) 2002 American Institute of Physics.