Mechanisms and origin of multiferroicity

Motivated by the potential applications of their intrinsic cross-coupling properties, the interest in multiferroic materials has constantly increased recently, leading to significant experimental and theoretical advancements. From the theoretical point of view, recent progresses have allowed to identify different mechanisms responsible for the appearence of ferroelectric polarization coexisting with -- and coupled to -- magnetic properties. This chapter aims at reviewing the fundamental mechanisms devised so far, mainly in transition-metal oxides, which lie at the origin of multiferroicity

Ferroelectric Rashba Semiconductors as a novel class of multifunctional materials

The discovery of novel properties, effects or microscopic mechanisms in modern materials science is often driven by the quest for combining, into a single compound, several functionalities: not only the juxtaposition of the latter functionalities, but especially their coupling, can open new horizons in basic condensed matter physics as well as in technology. Semiconductor spintronics makes no exception. In this context, we have discovered by means of density-functional simulations that, when a sizeable spin-orbit coupling is combined with ferroelectricity, such as in GeTe, one obtains novel multifunctional materials - called Ferro-Electric Rashba Semi-Conductors (FERSC) - where, thanks to a giant Rashba spin-splitting, the spin texture is controllable and switchable via an electric field. This peculiar spin-electric coupling can find a natural playground in small-gap insulators, such as chalcogenides, and can bring brand new assets into the field of electrically-controlled semiconductor spintronicsComment: 9 pages, 2 figures, in press on "Frontiers in Condensed Matter Physics

Interface effects at a half-metal/ferroelectric junction

Magnetoelectric effects are investigated ab-initio at the interface between half-metallic and ferroelectric prototypes: Heusler Co$_2$MnSi and perovskite BaTiO$_3$. For the Co-termination ferroelectricity develops in BaTiO$_3$ down to nanometer thicknesses, whereas for the MnSi-termination a paraelectric and a ferroelectric state energetically compete, calling for a full experimental control over the junction atomic configuration whenever a ferroelectric barrier is needed. Switch of the electric polarization largely affects magnetism in Co$_2$MnSi, with magnetoelectric coupling due to electronic hybridization at the MnSi termination and to structural effects at the Co-termination. Half-metallicity is lost at the interface, but recovered already in the subsurface layer.Comment: 4 pages, 3figures, accepted for publication in Appl. Phys. Let

Energetic stability and magnetic properties of Mn dimers in silicon

We present an accurate first-principles study of magnetism and energetics of single Mn impurities and Mn dimers in Si. Our results, in general agreement with available experiments, show that (i) Mn atoms tend to aggregate, the formation energy of dimers being lower than the sum of the separate constituents, (ii) ferromagnetic coupling is favored between the Mn atoms constituting the dimers in p-type Si, switching to an antiferromagnetic coupling in n-type Si, (iii) Mn atoms show donors (acceptor) properties in p-type (n-type) Si, therefore they tend to compensate doping, while dimers being neutral or acceptors allow for Si to be doped p-type. (C) 2004 American Institute of Physics

Spontaneous skyrmionic lattice from anisotropic symmetric exchange in a Ni-halide monolayer

Topological spin structures, such as magnetic skyrmions, hold great promises for data storage applications, thanks to their inherent stability. In most cases, skyrmions are stabilized by magnetic fields in non-centrosymmetric systems displaying the chiral Dzyaloshinskii-Moriya exchange interaction, while spontaneous skyrmion lattices have been reported in centrosymmetric itinerant magnets with long-range interactions. Here, a spontaneous anti-biskyrmion lattice with unique topology and chirality is predicted in the monolayer of a semiconducting and centrosymmetric metal halide, NiI$_2$. Our first-principles and Monte Carlo simulations reveal that the anisotropies of the short-range symmetric exchange, when combined with magnetic frustration, can lead to an emergent chiral interaction that is responsible for the predicted topological spin structures. The proposed mechanism finds a prototypical manifestation in two-dimensional magnets, thus broadening the class of materials that can host spontaneous skyrmionic states.Comment: submitte

An out-of-equilibrium model of the distributions of wealth

The distribution of wealth among the members of a society is herein assumed to result from two fundamental mechanisms, trade and investment. An empirical distribution of wealth shows an abrupt change between the low-medium range, that may be fitted by a non-monotonic function with an exponential-like tail such as a Gamma distribution, and the high wealth range, that is well fitted by a Pareto or inverse power-law function. We demonstrate that an appropriate trade-investment model, depending on three adjustable parameters associated with the total wealth of a society, a social differentiation among agents, and economic volatility referred to as investment can successfully reproduce the distribution of empirical wealth data in the low, medium and high ranges. Finally, we provide an economic interpretation of the mechanisms in the model and, in particular, we discuss the difference between Classical and Neoclassical theories regarding the concepts of {\it value} and {\it price}. We consider the importance that out-of-equilibrium trade transactions, where the prices differ from values, have in real economic societies.Comment: 11 pages + 7 figures. in press on Quantitavive Financ

Persistent spin helix in Rashba-Dresselhaus ferroelectric CsBiNb2O7

Ferroelectric Rashba semiconductors (FERSC) are a novel class of multifunctional materials showing a giant Rashba spin splitting which can be reversed by switching the electric polarization. Although they are excellent candidates as channels in spin field effect transistors, the experimental research has been limited so far to semiconducting GeTe, in which ferroelectric switching is often prevented by heavy doping and/or large leakage currents. Here, we report that CsBiNb2O7, a layered perovskite of Dion-Jacobson type, is a robust ferroelectric with sufficiently strong spin-orbit coupling and spin texture reversible by electric field. Moreover, we reveal that its topmost valence band's spin texture is quasi-independent from the momentum, as a result of the low symmetry of its ferroelectric phase. The peculiar spin polarization pattern in the momentum space may yield the so-called "persistent spin helix", a specific spin-wave mode which protects the spin from decoherence in diffusive transport regime, potentially ensuring a very long spin lifetime in this material.Comment: 7 pages, 6 figure

Ferroelectricity in multiferroic magnetite Fe3O4 driven by noncentrosymmetric Fe2+/Fe3+ charge-ordering: First-principles study

By means of first-principles simulations, we unambiguously show that improper ferroelectricity in magnetite in the low-temperature insulating phase is driven by charge-ordering. An accurate comparison between monoclinic ferroelectric Cc and paraelectric P2/c structures shows that the polarization arises because of "shifts" of electronic charge between octahedral Fe sites, leading to a non-centrosymmetric Fe2+/Fe3+ charge-ordered pattern. Our predicted values for polarization, in good agreement with available experimental values, are discussed in terms of point-charge dipoles located on selected Fe tetrahedra, pointing to a manifest example of electronic ferroelectricity driven by charge rearrangement.Comment: 5 pages, 4 figures, accepted for publication in Phys. Rev.