The structural and magnetic properties of ultrathin FeO(111) films on Pt(111) with thicknesses from 1 to 16 monolayers (ML) were studied using the nuclear inelastic scattering (NIS) of synchrotron radiation. Distinct evolution of vibrational characte
ristics with thickness that is revealed in the phonon density of states (PDOS) witnesses a textbook transition from 2D to 3D lattice dynamics. For the thinnest films of 1 and 2 ML, the low energy part of the PDOS followed a linear dependence in energy that is characteristic for 2-dimensional systems. This dependence gradually transforms with thickness to the bulk ~E-square relation. Density functional theory phonon calculations perfectly reproduced the measured 1 ML PDOS within a simple model of a pseudomorphic FeO/Pt(111) interface. The calculations show that the 2D PDOS character is due to a weak coupling of the FeO film to the Pt(111) substrate. The evolution of the vibrational properties with an increasing thickness is closely related to a transient long range magnetic order and stabilization of an unusual structural phase.
The electronic properties of two spinels Fe$_3$O$_4$ and Fe$_2$SiO$_4$ are studied by the density functional theory. The local Coulomb repulsion $U$ and the Hunds exchange $J$ between the $3d$ electrons on iron are included. For $U=0$, both spinels a
re half-metals, with the minority $t_{2g}$ states at the Fermi level. Magnetite remains a metal in a cubic phase even at large values of $U$. The metal-insulator transition is induced by the $X_3$ phonon, which lowers the total energy and stabilizes the charge-orbital ordering. Fe$_2$SiO$_4$ transforms to a Mott insulating state for $U>2$ eV with a gap $Delta_gsim U$. The antiferromagnetic interactions induce the tetragonal distortion, which releases the geometrical frustration and stabilizes the long-range order. The differences of electronic structures in the high-symmetry cubic phases and the distorted low-symmetry phases of both spinels are discussed.
The Verwey phase transition in magnetite is analyzed on the basis of the Landau theory. The free energy functional is expanded in a series of components belonging to the primary and secondary order parameters. A low-temperature phase with the monocli
nic P2/c symmetry is a result of condensation of two order parameters X_3 and Delta_5 . The temperature dependence of the shear elastic constant C_44 is derived and the mechanism of its softening is discussed.
