Fyzikální ústav Akademie věd ČR

In many magnetic materials it is possible to change the size of the magnetic moments, typically reduce, by application of pressure. Such transition is usually abrupt and sometimes is accompanied transtion to a metallic state. Using the LDA+DMFT computational scheme we were able to obtain such a behavior in MnO and Fe₂O₃ in agreement with experimental observations. We have identified the microscopic mechanisms responsible for these transitions and explained the observed changes in the density of the materials accompanying the transition.