Local structure of In_(0.5)Ga_(0.5)As from joint high-resolution and differential pair distribution function analysis

High resolution total and indium differential atomic pair distribution functions (PDFs) for In_(0.5)Ga_(0.5)As alloys have been obtained by high energy and anomalous x-ray diffraction experiments, respectively. The first peak in the total PDF is resolved as a doublet due to the presence of two distinct bond lengths, In-As and Ga-As. The In differential PDF, which involves only atomic pairs containing In, yields chemical specific information and helps ease the structure data interpretation. Both PDFs have been fit with structure models and the way in that the underlying cubic zinc-blende lattice of In_(0.5)Ga_(0.5)As semiconductor alloy distorts locally to accommodate the distinct In-As and Ga-As bond lengths present has been quantified.Comment: 9 pages, 7 figur

Study of temperature dependent atomic correlations in MgB2_{2}

We have studied the evolution with temperature of the local as well as the average crystal structure of MgB$_2$ using the real-space atomic pair distribution function (PDF) measured by high resolution neutron powder diffraction. We have investigated the correlations of the B-B and B-Mg nearest neighbor pair motion by comparing, in the wide temperature range from T=10 K up to T=600 K, the mean-square displacements (MSD) of single atoms with the mean-square relative displacements (MSRD) obtained from the PDF peak linewidths. The results show that the single atom B and Mg vibrations are mostly decoupled from each other, with a small predominance of positive (in phase) correlation factor for both the B-B and B-Mg pairs. The small positive correlation is almost temperature independent, in contrast with our theoretical calculations; this can be a direct consequence of the strong decay processes of the $E_{2g}$ anharmonic phonons

Differential geometry with a projection: Application to double field theory

In recent development of double field theory, as for the description of the massless sector of closed strings, the spacetime dimension is formally doubled, i.e. from D to D+D, and the T-duality is realized manifestly as a global O(D,D) rotation. In this paper, we conceive a differential geometry characterized by a O(D,D) symmetric projection, as the underlying mathematical structure of double field theory. We introduce a differential operator compatible with the projection, which, contracted with the projection, can be covariantized and may replace the ordinary derivatives in the generalized Lie derivative that generates the gauge symmetry of double field theory. We construct various gauge covariant tensors which include a scalar and a tensor carrying two O(D,D) vector indices.Comment: 1+22 pages, No figure; a previous result on 4-index tensor removed, presentation improve

Lattice dynamics and correlated atomic motion from the atomic pair distribution function

The mean-square relative displacements (MSRD) of atomic pair motions in crystals are studied as a function of pair distance and temperature using the atomic pair distribution function (PDF). The effects of the lattice vibrations on the PDF peak widths are modelled using both a multi-parameter Born von-Karman (BvK) force model and a single-parameter Debye model. These results are compared to experimentally determined PDFs. We find that the near-neighbor atomic motions are strongly correlated, and that the extent of this correlation depends both on the interatomic interactions and crystal structure. These results suggest that proper account of the lattice vibrational effects on the PDF peak width is important in extracting information on static disorder in a disordered system such as an alloy. Good agreement is obtained between the BvK model calculations of PDF peak widths and the experimentally determined peak widths. The Debye model successfully explains the average, though not detailed, natures of the MSRD of atomic pair motion with just one parameter. Also the temperature dependence of the Debye model largely agrees with the BvK model predictions. Therefore, the Debye model provides a simple description of the effects of lattice vibrations on the PDF peak widths.Comment: 9 pages, 11 figure

Reduction in CO2 uptake rates of red tide dinoflagellates due to mixotrophy

We investigated a possible reduction in CO2 uptake rate by phototrophic red tide dinoflagellates arising from mixotrophy. We measured the daily ingestion rates of Prorocentrum minimum by Prorocentrum micans over 5 days in 10 L experimentalbottles, and the uptake rates of total dissolved inorganic carbon (CT) by a mixture of P. micans and P. minimum(mixotrophic growth), and for the predator P. micans (phototrophic growth; control) and prey P. minimum (phototrophicgrowth; control) alone. To account for the effect of pH on the phototrophic growth rates of P. micans and P. minimum,measurements of CT and pH in the predator and prey control bottles were continued until the pH reached the same level(pH 9.5) as that in the experimental bottles on the final day of incubation. The measured total CT uptake rate by the mixtureof P. micans and P. minimum changed from 123 to 161 μmol CT kg-1 d-1 over the course of the experiment, and waslower than the CT uptake rates shown by P. micans and P. minimum in the predator and prey control bottles, respectively,which changed from 132 to 176 μmol CT kg-1 d-1 over the course of the experiment. The reduction in total CT uptake ratearising from the mixotrophy of P. micans was 7-31% of the daily CT uptake rate seen during photosynthesis. The resultssuggest that red tide dinoflagellates take up less CT during mixotrophy.1131Ysciescopuskc

Terahertz spin-orbital excitations in the paramagnetic state of multiferroic Sr2FeSi2O7

We studied the novel multiferroic material Sr2FeSi2O7 and found three absorption modes above the magnetic ordering transition temperature using time-domain terahertz spectroscopy. These absorption modes can be explained as the optical transitions between the spin-orbit coupling and crystal-field split 3d(6) Fe2+ ground-state term in this material. Consideration of the compressed tetrahedral environment of the Fe2+ site is crucial to understand the excitations. We point out, however, discrepancies between the single-site atomic picture and the experimental results.1133Ysciescopu

Measurement of the local Jahn-Teller distortion in LaMnO_3.006

The atomic pair distribution function (PDF) of stoichiometric LaMnO_3 has been measured. This has been fit with a structural model to extract the local Jahn-Teller distortion for an ideal Mn(3+)O_6 octahedron. These results are compared to Rietveld refinements of the same data which give the average structure. Since the local structure is being measured in the PDF there is no assumption of long-range orbital order and the real, local, Jahn-Teller distortion is measured directly. We find good agreement both with published crystallographic results and our own Rietveld refinements suggesting that in an accurately stoichiometric material there is long range orbital order as expected. The local Jahn-Teller distortion has 2 short, 2 medium and 2 long bonds.Comment: 5 pages, 3 postscript figures, minor change

Direct observation of the formation of polar nanoregions in Pb(Mg1/3_{1/3}Nb2/3_{2/3})O3_3 using neutron pair distribution function analysis

Using neutron pair distribution function (PDF) analysis over the temperature range from 1000 K to 15 K, we demonstrate the existence of local polarization and the formation of medium-range, polar nanoregions (PNRs) with local rhombohedral order in a prototypical relaxor ferroelectric Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_3$. We estimate the volume fraction of the PNRs as a function of temperature and show that this fraction steadily increases from 0 % to a maximum of $\sim$ 30% as the temperature decreases from 650 K to 15 K. Below T$\sim$200 K the PNRs start to overlap as their volume fraction reaches the percolation threshold. We propose that percolating PNRs and their concomitant overlap play a significant role in the relaxor behavior of Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_3$.Comment: 4 pages, 3 figure

Evidence for charge localization in the ferromagnetic phase of La_(1-x)Ca_(x)MnO_3 from High real-space-resolution x-ray diffraction

High real-space-resolution atomic pair distribution functions of La_(1-x)Ca_(x)MnO_3 (x=0.12, 0.25 and 0.33) have been measured using high-energy x-ray powder diffraction to study the size and shape of the MnO_6 octahedron as a function of temperature and doping. In the paramagnetic insulating phase we find evidence for three distinct bond-lengths (~ 1.88, 1.95 and 2.15A) which we ascribe to Mn^{4+}-O, Mn^{3+}-O short and Mn^{3+}-O long bonds respectively. In the ferromagnetic metallic (FM) phase, for x=0.33 and T=20K, we find a single Mn-O bond-length; however, as the metal-insulator transition is approached either by increasing T or decreasing x, intensity progressively appears around r=2.15 and in the region 1.8 - 1.9A suggesting the appearance of Mn^{3+}-O long bonds and short Mn^{4+}-O bonds. This is strong evidence that charge localized and delocalized phases coexist close to the metal-insulator transition in the FM phase.Comment: 8 pages, 8 postscript figures, submitted to Phys. Rev.

Magnetism and magnetoelectricity in the polar oxide α-Cu2V2O7

Single crystals of the orthorhombic polar oxide alpha-Cu2V2O7 with space group Fdd2 are synthesized and their physical properties are measured. Neutron powder diffraction is also performed on a polycrystal sample to extract the magnetic structure. The ground state is shown to be weakly ferromagnetic, that is, collinearly antiferromagnetic in the a-direction with a small remanent magnetization in the c-direction. When an external magnetic field is applied in the c-direction, further spin canting, accompanied by the induced electric polarization, occurs. It is demonstrated that the magnetoelectric effect in alpha-Cu2V2O7 is adequately described if spin-dependent p-d hybridization due to spin-orbit coupling as well as magnetic domain effects are simultaneously taken into account. We discuss the implication of the present result in the search for materials with multiferroicity and/or magnetoelectricity. Copyright (C) EPLA, 2016open11122sciescopu