Phase transition and magnetism in Fe-P-O-H based synthetic mineral

Iron hydroxyl phosphates are minerals with rich crystal chemistry and potential applications in life sciences, where they can be used as effective catalysts, electrode materials, etc. Specific heat and susceptibility measurements combined with structural and magnetic studies performed on iron hydroxyl phosphates in the 2K - 470K temperature range, revealed an interesting non-magnetic monoclinic isostructural phase transition which will be discussed in terms of phenomenological Bond-Valence Model and Density Functional Theory with Embedded Dynamical Mean Field Theory (DFT+eDMFT). In addition, we will show the low temperature complex magnetic behavior, which is a consequence of the phase transition.