Magnetoelectric response of multiferroic BiFeO3 and related materials

We present a first-principles scheme for computing the magnetoelectric response of multiferroics. We apply our method to BiFeO3 (BFO) and related compounds in which Fe is substituted by other magnetic species. We show that under certain relevant conditions -- i.e., in absence of incommensurate spin modulation, as in BFO thin films and some BFO-based solid solutions -- these materials display a large linear magnetoelectric response. Our calculations reveal the atomistic origin of the coupling and allow us to identify the most promising strategies to enhance it.Comment: 4 pages with 1 figure embedded. More information at http://www.icmab.es/dmmis/leem/jorg

First fossil record of Discocephalinae (Insecta, Pentatomidae): a new genus from the middle Eocene of Río Pichileufú, Patagonia, Argentina

A new genus and species of Discocephalini, Acanthocephalonotum martinsnetoi gen. n. et sp. n. is described from Río Pichileufú, middle Eocene of Patagonia, Argentina at palaeolatitude ~ 46°S. The new species is the first fossil representative of the Discocephalinae. This taxon is extant in equatorial to subtropical America, and some species reach warm temperate latitudes (Buenos Aires province). The new genus is distinguished from the other genera of Discocephalini by the combination of these characters: interocular width greater than head length; head massive and quadrangular with the anterior margin almost straight; juga touching each other; labrum thick and curved; triangular ante-ocular process extending beyond the eye; broad spine-like antero-lateral process of the pronotum; pronotum explanate and bean shaped; scutellum triangular with a circular tongue reaching the anterior side of abdominal segment 7; and wings well developed with membrane just surpassing end of abdomen.Facultad de Ciencias Naturales y Muse

Pair creation in transport equations using the equal-time Wigner function

Based on the equal-time Wigner function for the Klein-Gordon field, we discuss analytically the mechanism of pair creation in a classical electromagnetic field including back-reaction. It is shown that the equations of motion for the Wigner function can be reduced to a variable-frequency oscillator. The pair-creation rate results then from a calculation analogous to barrier penetration in nonrelativistic quantum mechanics. The Wigner function allows one to utilize this treatment for the formulation of an effective transport theory for the back-reaction problem with a pair-creation source term including Bose enhancement.Comment: 19 pages, LaTeX, UFTP 316/199

An Infrastructure for acquiring high quality semantic metadata

Because metadata that underlies semantic web applications is gathered from distributed and heterogeneous data sources, it is important to ensure its quality (i.e., reduce duplicates, spelling errors, ambiguities). However, current infrastructures that acquire and integrate semantic data have only marginally addressed the issue of metadata quality. In this paper we present our metadata acquisition infrastructure, ASDI, which pays special attention to ensuring that high quality metadata is derived. Central to the architecture of ASDI is a erification engine that relies on several semantic web tools to check the quality of the derived data. We tested our prototype in the context of building a semantic web portal for our lab, KMi. An experimental evaluation omparing the automatically extracted data against manual annotations indicates that the verification engine enhances the quality of the extracted semantic metadata

Theory of magnetic field-induced metaelectric critical end point in BiMn2_2O5_5

A recent experiment on the multiferroic BiMn$_2$O$_5$ compound under a strong applied magnetic field revealed a rich phase diagram driven by the coupling of magnetic and charge (dipolar) degrees of freedom. Based on the exchange-striction mechanism, we propose here a theoretical model with the intent to capture the interplay of the spin and dipolar moments in the presence of a magnetic field in BiMn$_2$O$_5$. Experimentally observed behavior of the dielectric constants, magnetic susceptibility, and the polarization is, for the most part, reproduced by our model. The critical behavior observed near the polarization reversal $(P=0)$ point in the phase diagram is interpreted as arising from the proximity to the critical end point.Comment: Theory; relevant experiment uploaded as arXiv:0810.190

Hydrogen atom in crossed external fields reexemined by the moment method

Recurrence relations of perturbation theory for hydrogen ground state are obtained. With their aid polarizabilities in constant perpendicular electric and magnetic fields are computed up to 80th order. The high orders asymptotic is compared with its quasiclassical estimate. For the case of arbitrary mutual orientation of external fields a general sixth order formula is given.Comment: 11 pages, LaTeX, 2 figures (eps

Origin of magnetoelectric behavior in BiFeO3_3

The magnetoelectric behavior of BiFeO$_3$ has been explored on the basis of accurate density functional calculations. The structural, electronic, magnetic, and ferroelectric properties of BiFeO$_3$ are predicted correctly without including strong correlation effect in the calculation. Moreover, the experimentally-observed elongation of cubic perovskite-like lattice along the [111] direction is correctly reproduced. At high pressure we predicted a pressure-induced structural transition and the total energy calculations at expanded lattice show two lower energy ferroelectric phases, closer in energy to the ground state phase. Band-structure calculations show that BiFeO$_3$ will be an insulator in A- and G-type antiferromagnetic phases and a metal in other magnetic configurations. Chemical bonding in BiFeO$_3$ has been analyzed using various tools and electron localization function analysis shows that stereochemically active lone-pair electrons at the Bi sites are responsible for displacements of the Bi atoms from the centro-symmetric to the noncentrosymmetric structure and hence the ferroelectricity. A large ferroelectric polarization (88.7 $\mu$C/cm$^{2}$) is predicted in accordance with recent experimental findings. The net polarization is found to mainly ($>$ 98%) originate from Bi atoms. Moreover the large scatter in experimentally reported polarization values is due to the large anisotropy in the spontaneous polarization.Comment: 19 pages, 12 figures, 4 table