Determination of Exchange Coupling of Dimethoxo-Bridged Dichromium(III) Complexes and Magnetic Field Dependence of Magnetization

Abstract

The density functional theory method is used to calculate the exchange coupling constant in dimethoxo-bridged dichromium(III) complex. It is found that the bridge angle has an important role for the coupling constant. It is realized that the coupling constant changes its sign by variation of the bridge angle. From the calculation it is clear that there is a phase transition from ferromagnetism to antiferromagnetism at a certain bridge angle.