Novel Molecular Magnets for Quantum Devices

Molecular magnets are a promising materials system for the long term future of quantum devices. The recent rapid scientific and technical developments in plastic electronics have clearly established the production of mass market devices based on utilising cheap, processable, recyclable, and earth abundant materials.
The phthalocyanine molecule is an example of a flexible unit that has been shown to have exceptional properties, can be readily synthesised and assembled into ordered thin films. Electron and hole mobilities are reasonable and spin lifetimes are competitive.
In recent years we have combined state of the art theory, synthesis, and characterisation to discover new materials that as 1D molecular chains display strong entanglement and magnetic coupling.
If a room temperature magnetic material, that self assembles into thin films with high mobility can be discovered, it will be a very promising materials system for quantum devices.
We propose to use first principles theory to explore the detailed mechanisms of charge transport and magnetic coupling in a wide range of putative phthalocyanine based materials on active and inactive substrates.
Promising molecules will be synthesised, deposited as thin films and characterised. In addition to the prospect of discovering more new materials during this project we will also build a database of computed and measured data that will facilitate the use of machine learning to aid in future materials discovery within this class of systems.

M. Serri et al. Nature Communication 5 3079 (2014)