Atomic order in magnetic Mn inclusions in Si crystals: XAS and TEM studies

A Si (1 0 0) crystal implanted with Mn+ ions, exhibiting ferromagnetic properties, was studied with XAS and TEM to examine the local atomic order around Mn atoms. The advantage of the XAS technique was its elemental selectivity, which allowed extracting information on the atomic surroundings of Mn atoms even at very low concentrations of this element, incapable of producing a signal in X-ray diffraction. It is very important to find out what is responsible for the ferromagnetism of this new class of materials. The knowledge of the location of Mn atoms in the Si crystal lattice is crucial in developing models of ferromagnetic interactions. The performed studies have proven beyond doubt that Mn atoms are not located randomly in the Si crystalline matrix but form Mn–Si clusters immersed in a strained Si matrix. Assuming the atomic order and dimensions of the cluster found through EXAFS and HRTEM, we have reproduced the electronic structure of Mn atoms by modeling the XANES spectrum in agreement with the experimental one.