Simulating the magnetic behaviour of an unusual molecular magnet may lead to better design of single molecule magnets.

Eliseo Ruiz at the University of Barcelona and colleagues used computer simulations to reproduce the magnetic properties of a wheel-shaped molecule that contains twelve nickel cations. They found that as well as considering the interactions between neighbouring nickel cations they also needed to take into account interactions with second neighbours. 

The researchers say this questions the validity of the simple models previously used to reproduce magnetic behaviour, which include only one kind of interaction.

Molecular magnets might find use in information storage and quantum computing devices. Ruiz and his team say that computational methods will provide detailed information about the magnetic properties of molecules, helping in the design of new molecular magnets for these purposes.

Susan Batten