Calcium-free Solid Solutions in the System Ba7F12Cl2−xBrx (x<1.5), a Single-component White Phosphor Host

We have recently prepared solid solutions of Ba∼6.3Ca∼0.7F12Cl2−xBrx with x ranging from 0 to 2. In this work, the synthesis and single crystal X-ray structure of calcium-free crystals of Ba∼6.9Na∼0.2F12Br0.6Cl1.4 (space group P63/m, a=10.6024(10), c=4.2034(4)Å), Ba∼6.9Na∼0.2F12Br1.4 Cl0.6 (space group P63/m, a=10.6155(9), c=4.2355(4)Å) and Ba∼6.9Na∼0.2Br1.32Cl0.68F12 (space group P63/m, a=10.6218(9), c=4.2284(4)Å) are reported. These crystals systematically present additional electron density at the 0 0 0.25 position which is associated with the presence of small, but significant amounts of Na+ ions in the crysta

Magnetodielectric effect of Bi6Fe2Ti3O18 film under an ultra-low magnetic field

Good quality and fine grain Bi6Fe2Ti3O18 magnetic ferroelectric films with single-phase layered perovskite structure have been successfully prepared via metal organic decomposition (MOD) method. Results of low-temperature magnetocapacitance measurements reveal that an ultra-low magnetic field of 10 Oe can produce a nontrivial magnetodielectric (MD) response in zero-field-cooling condition, and the relative variation of dielectric constants in magnetic field is positive, i.e., MD=0.05, when T<55K, but negative with a maximum of MD=-0.14 when 55K<T<190K. The magnetodielectric effect appears a sign change at 55K, which is due to transition from antiferromagnetic to weak ferromagnetic; and vanishes abruptly around 190K, which is thought to be associated with order-disorder transition of iron ion at B site of perovskite structures. The ultra-low-field magnetodielectric behaviour of Bi6Fe2Ti3O18 film has been discussed in the light of quasi-two-dimension unique nature of local spin order in ferroelectric film. Our results allow expectation on low-cost applications of detectors and switches for extremely weak magnetic fields in a wide temperature range 55K-190K.Comment: 10 pages 4 figures, planned to submit to J. Phys.: Condensed Matte

Synthesis and Structure of Ba

Abstract. Crystals of ordered and disordered Ba 7 F 12 Cl 2 were prepared by flux growth and solid state reactions. These new structures were characterized by single crystal and powder X-ray diffraction. The disordered variant which shows disorder on one of the cation sites was obtained from a BaF 2 + BaCl 2 + NaCl/NaF flux. It has hexagonal space group P6 3 /m (176) with one formula unit per unit cell. The lattice constants are a = b = 1059.55(5) pm and c = 420.10(4) pm (at 21°C). The structure was refined to R(R w ) = 0.026(0.030) for 346 independent reflections and 26 parameters. Slow cooling of a mixture of BaF 2 and LiCl yields the ordered variant. This one crystallizes in the hexagonal space group P6 (174) with one formula per unit cell. Lattice constants at 21°C are a = b = 1063.46(2) pm and c = 417.52(1) pm. The structure was refined to R(R w ) = 0.017 (0.017) for 638 independent reflections and 45 parameters. The structural arrangement and the interatomic distances of the two variants are mutually similar. The barium atoms have coordination number nine. Propeller-type arrangements with a chloride ion on the axis and the fluoride ions as blades are observed. These latter ones are interconnected into`channels&apos; of tricapped fluoride prisms. Occupation disorder of the barium sites in the channels of the disordered variant makes the main difference between the two. An unexpectedly high X-ray density obtained for both variants of Ba 7 F 12 Cl 2 can be correlated to the density of other barium fluorohalides having a coordination number of nine for the barium ion. Der strukturelle Aufbau und die atomaren Absta È nde beider Varianten sind anna È hernd gleich. Die Bariumatome haben die Koordinationszahl neun. Es werden propellerartige Anordnungen mit einem Chloridion in der Achse und den Fluoridionen als Flu È gel beobachtet. Die letzteren sind durch Kana È le von dreifach bekappten Fluoridprismen verbunden. Die Besetzung der fehlgeordneten Bariumlagen in den Kana È len der Fehlordnungsvariante ist der wesentliche Unterschied zwischen beiden Varianten. Die unerwartet hohe Ro È ntgendichte fu È r beide Formen von Ba 7 F 12 Cl 2 entspricht der Dichte anderer Bariumfluoridhalogenide mit der Koordinationszahl 9 fu È r das Bariumatom

Complete characterization of single-cycle double ionization of argon from the nonsequential to the sequential ionization regime

Citation: Kubel, M., Burger, C., Kling, N. G., Pischke, T., Beaufore, L., Ben-Itzhak, I., . . . Bergues, B. (2016). Complete characterization of single-cycle double ionization of argon from the nonsequential to the sequential ionization regime. Physical Review A, 93(5), 9. doi:10.1103/PhysRevA.93.053422Selected features of nonsequential double ionization have been qualitatively reproduced by a multitude of different (quantum and classical) approaches. In general, however, the typical uncertainty of laser pulse parameters and the restricted number of observables measured in individual experiments leave room for adjusting theoretical results to match the experimental data. While this has been hampering the assessment of different theoretical approaches leading to conflicting interpretations, comprehensive experimental data that would allow such an ultimate and quantitative assessment have been missing so far. To remedy this situation we have performed a kinematically complete measurement of single-cycle multiple ionization of argon over a one order of magnitude range of intensity. The momenta of electrons and ions resulting from the ionization of the target gas are measured in coincidence, while each ionization event is tagged with the carrier-envelope phase and intensity of the 4-fs laser pulse driving the process. The acquired highly differential experimental data provide a benchmark for a rigorous test of the many competing theoretical models used to describe nonsequential double ionization

Coherent Electronic Wave Packet Motion in C-60 Controlled by the Waveform and Polarization of Few-Cycle Laser Fields

Citation: Li, H., Mignolet, B., Wachter, G., Skruszewicz, S., Zherebtsov, S., Sussmann, F., . . . Kling, M. F. (2015). Coherent Electronic Wave Packet Motion in C-60 Controlled by the Waveform and Polarization of Few-Cycle Laser Fields. Physical Review Letters, 114(12), 6. doi:10.1103/PhysRevLett.114.123004Strong laser fields can be used to trigger an ultrafast molecular response that involves electronic excitation and ionization dynamics. Here, we report on the experimental control of the spatial localization of the electronic excitation in the C-60 fullerene exerted by an intense few-cycle (4 fs) pulse at 720 nm. The control is achieved by tailoring the carrier-envelope phase and the polarization of the laser pulse. We find that the maxima and minima of the photoemission-asymmetry parameter along the laser-polarization axis are synchronized with the localization of the coherent electronic wave packet at around the time of ionization.Additional Authors: Tiggesbaumker, J.;Meiwes-Broer, K. H.;Lemell, C.;Burgdorfer, J.;Levine, R. D.;Remacle, F.;Kling, M. F

Magnetoelectric ordering of BiFeO3 from the perspective of crystal chemistry

In this paper we examine the role of crystal chemistry factors in creating conditions for formation of magnetoelectric ordering in BiFeO3. It is generally accepted that the main reason of the ferroelectric distortion in BiFeO3 is concerned with a stereochemical activity of the Bi lone pair. However, the lone pair is stereochemically active in the paraelectric orthorhombic beta-phase as well. We demonstrate that a crucial role in emerging of phase transitions of the metal-insulator, paraelectric-ferroelectric and magnetic disorder-order types belongs to the change of the degree of the lone pair stereochemical activity - its consecutive increase with the temperature decrease. Using the structural data, we calculated the sign and strength of magnetic couplings in BiFeO3 in the range from 945 C down to 25 C and found the couplings, which undergo the antiferromagnetic-ferromagnetic transition with the temperature decrease and give rise to the antiferromagnetic ordering and its delay in regard to temperature, as compared to the ferroelectric ordering. We discuss the reasons of emerging of the spatially modulated spin structure and its suppression by doping with La3+.Comment: 18 pages, 5 figures, 3 table

Advances in ab-initio theory of Multiferroics. Materials and mechanisms: modelling and understanding

Within the broad class of multiferroics (compounds showing a coexistence of magnetism and ferroelectricity), we focus on the subclass of "improper electronic ferroelectrics", i.e. correlated materials where electronic degrees of freedom (such as spin, charge or orbital) drive ferroelectricity. In particular, in spin-induced ferroelectrics, there is not only a {\em coexistence} of the two intriguing magnetic and dipolar orders; rather, there is such an intimate link that one drives the other, suggesting a giant magnetoelectric coupling. Via first-principles approaches based on density functional theory, we review the microscopic mechanisms at the basis of multiferroicity in several compounds, ranging from transition metal oxides to organic multiferroics (MFs) to organic-inorganic hybrids (i.e. metal-organic frameworks, MOFs)Comment: 22 pages, 9 figure

Coherent Electronic Wave Packet Motion in C-60 Controlled by the Waveform and Polarization of Few-Cycle Laser Fields

Strong laser fields can be used to trigger an ultrafast molecular response that involves electronic excitation and ionization dynamics. Here, we report on the experimental control of the spatial localization of the electronic excitation in the C-60 fullerene exerted by an intense few-cycle (4 fs) pulse at 720 nm. The control is achieved by tailoring the carrier-envelope phase and the polarization of the laser pulse. We find that the maxima and minima of the photoemission-asymmetry parameter along the laser-polarization axis are synchronized with the localization of the coherent electronic wave packet at around the time of ionization.open113033sciescopu