We have an opportunity for a student to pursue a Ph.D in Chemistry or Physics in the Computational Modelling group at Tyndall National Institute, starting any time from March 2006.

Whether mobile phones, laptops or flash memory sticks, all electronic devices are becoming smaller and faster, and we are hitting the performance limits for some of the component materials. In both memory and logic devices, insulating silica layers must now be replaced by a material with a higher dielectric constant (k). Chemistry and materials science thus have an important role to play.

The oxides of the rare earths (La-Lu) are promising high-k materials. Quite apart from their electrical properties however, they can only be used in the electronics industry if they can be processed. Typically, layers a few nanometres thin must be deposited evenly onto the walls of trenches that are a micron deep. This level of control has been achieved for other materials using a type of chemical vapour deposition, but new precursor chemicals and processing conditions must be researched before this method can be used for rare earth oxides.

In this project, we will model the surface reactions that underlie the growth of rare earth oxide films. The properties of new precursor molecules will be computed and related to the quality of the final oxide films. The main computational tool will be Density Functional Theory, using both cluster and periodic models. There will be close interaction with experimental groups around Europe and within Tyndall.

Applications are invited from candidates with a high standard bachelor’s or master’s degree (or equivalent) in chemistry, physics, materials science or a cognate discipline, as well as an interest in simulation and computation.

To apply, please send an email about yourself and your interests, together with a CV, including the names of two referees, to Dr Simon Elliott (simon.elliott@tyndall.ie).

Reference:
http://www.tyndall.ie/research/computational-modelling-group/postgrad_selliott.html