Spin density maps in molecule-based magnetic materials

Abstract The search for molecule-based magnets that order at the highest temperature is a very active field, because of the possible applications like the construction of magnets displaying special optical or mechanical properties, which cannot be achieved by classical magnets. The understanding of the mechanisms involved in the magnetic interactions in these type of compounds is essential for the design of new mole-cule-based compounds. Different types of compounds be-long to this class of materials: transition metal compounds, pure organic radicals, and mixed systems where a transition metal or a rare-earth ion is coupled to an organic radical[1].