Electronic structure of charge-ordered Fe3O4 from calculated optical, megneto-optical Kerr effect, and O K-edge x-ray absorption spectra

The electronic structure of the low-temperature (LT) monoclinic magnetite, Fe3O4, is investigated using the local spin density approximation (LSDA) and the LSDA+U method. The self-consistent charge ordered LSDA+U solution has a pronounced [001] charge density wave character. In addition, a minor [00{1/2}] modulation in the phase of the charge order (CO) also occurs. While the existence of CO is evidenced by the large difference between the occupancies of the minority spin t_{2g} states of ``2+'' and ``3+'' Fe_B cations, the total 3d charge disproportion is small, in accord with the valence-bond-sum analysis of structural data. Weak Fe orbital moments of ~0.07 mB are obtained from relativistic calculations for the CO phase which is in good agreement with recent x-ray magnetic circular dichroism measurements. Optical, magneto-optical Kerr effect, and O K-edge x-ray absorption spectra calculated for the charge ordered LSDA+U solution are compared to corresponding LSDA spectra and to available experimental data. Reasonably good agreement between the theoretical and experimental spectra supports the relevance of the CO solution obtained for the monoclinic LT phase. The results of calculations of effective exchange coupling constants between Fe spin magnetic moments are also presented.Comment: 32 pages, 10 figure

Homoclinic orbits, and self-excited and hidden attractors in a Lorenz-like system describing convective fluid motion

In this tutorial, we discuss self-excited and hidden attractors for systems of differential equations. We considered the example of a Lorenz-like system derived from the well-known Glukhovsky--Dolghansky and Rabinovich systems, to demonstrate the analysis of self-excited and hidden attractors and their characteristics. We applied the fishing principle to demonstrate the existence of a homoclinic orbit, proved the dissipativity and completeness of the system, and found absorbing and positively invariant sets. We have shown that this system has a self-excited attractor and a hidden attractor for certain parameters. The upper estimates of the Lyapunov dimension of self-excited and hidden attractors were obtained analytically.Comment: submitted to EP