MOSSBAUER-EFFECT STUDIES OF THE DIMER OF A BIMETALLIC EU-AL COMPLEX

Mossbauer spectra of the dimer of a bimetallic Eu-Al complex, [(CF3COO)3EuHAl(C2H5)2 . 2 THF]2 are measured at different temperatures (81 to 166 K) and some Mossbauer parameters, such as isomer shift, electric quadrupole splitting and asymmetric parameter, are derived from the experimental spectra. The Debye temperature of the compound determined by a Debye model is 128 K. The results indicate that europium in the organo-europium compound is trivalent and that a bridging hydrogen atom between two europium atoms exists in the dimer. The low Debye temperature implies that the weaker binding force between the europium atom and the lattice may be related to the structure and the chemical bonding in the organometallic compound of europium.

MOSSBAUER-EFFECT STUDIES OF THE PHASE-TRANSITION PROCESS IN EUROPIUM PENTAPHOSPHATE

Mossbauer spectra of europium pentaphosphate are measured at various temperatures (126 to 200-degrees-C). Some Mossbauer parameters, such as isomer shift, electric quadrupole splitting, and asymmetry parameter of the EFG at Eu-151 nuclei are derived from the experimental spectra. The lattice parameters of the crystal are determined at several temperatures. The experimental results indicate that the crystal structure of europium pentaphosphate changes from monoclinic to orthorhombic. All of the temperature dependences of the Mossbauer parameters provide evidence of a phase transition of the crystal. The phase transition temperature can be determined from the curve of the asymmetry parameter of EFG versus temperature to 165-degrees-C.

Numerical modelling for electromagnetic processing of materials

Electromagnetic processing of materials (EPM) is one of the most widely practiced and fast growing applications of magnetic and electric forces to fluid flow. EPM is encountered in both industrial processes and laboratory investigations. Applications range in scale from nano-particle manipulation to tonnes of liquid metal treated in the presence of various configurations of magnetic fields. Some of these processes are specifically designed and made possible by the use of the electromagnetic force, like the magnetic levitation of liquid droplets, whilst others involve electric currents essential for electrothermal or electrochemical reasons, for instance, in electrolytic metal production and in induction melting. An insight for the range of established and novel EPM applications can be found in the review presented by Asai [1] in the EPM-2003 conference proceedings.

Electron impact excitation of Ar XVII

Energies for the lowest 49 levels among the 1s(2) and 1snl (n = 2-5) configurations of Ar XVII have been calculated using the GRASP code of Dyall et al. (1989, Comput. Phys. Comm., 55, 424). Additionally, radiative rates, oscillator strengths, and line strengths are calculated for all electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), and magnetic quadrupole (M2) transitions among these levels. Furthermore, collision strengths have also been calculated for all the 1176 transitions among the above 49 levels using the Dirac Atomic R-matrix Code (DARC) of Norrington & Grant (2005, Comput. Phys. Commun., in preparation), over a wide energy range up to 580 Ryd. Resonances have been resolved in the threshold region, and effective collision strengths have been obtained over a wide temperature range up to log T-e = 7.2 K. Comparisons are made with the limited results available in the literature, and the accuracy of the data is assessed. Our energy levels are estimated to be accurate to better than 0.1%, whereas results for other parameters are probably accurate to better than 20%.

Radiative rates for E1, E2, M1 and M2 transitions in Fe X

Energies of the 54 levels belonging to the (1s(2)2s(2)2p(6)) 3s(2)3p(5), 3s3p(6), 3s(2)3p(4)3d and 3s3p(5)3d configurations of Fe X have been calculated using the GRASP code of Dyall et al. (1989). Additionally, radiative rates, oscillator strengths, and line strengths are calculated for all electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), and magnetic quadrupole (M2) transitions among these levels. Comparisons are made with results available in the literature, and the accuracy of the data is assessed. Our energy levels are estimated to be accurate to better than 3%, whereas results for other parameters are probably accurate to better than 20%. Additionally, the agreement between measured and calculated lifetimes is better than 10%.

Radiative rates for transitions in Fe XVII

Energies of the lowest 157 levels belonging to the (1s(2)) 2s(2)2p(6), 2s(2)p(5)3l, 2s(2)2p(5)4l, 2s(2)2p(5)4l, 2s2p(5)5l, 2s2p(6)4l and 2s2p(6)5l configurations of Fe XVII have been calculated using the GRASP code of Dyall et al. (1989). Additionally, radiative rates, oscillator strengths, and line strengths are calculated for all electric dipole (E I), magnetic dipole (M I), electric quadrupole (E2), and magnetic quadrupole (M2) transitions among these levels. Comparisons are made with the results already available in the literature, and the accuracy of the data is assessed. Our energy levels are expected to be accurate to better than M whereas results for other parameters are probably accurate to better than 20%.

Energy levels and radiative rates for transitions in Ar XIII, Ar XIV and Ar XV

Energies for 524 levels of Ar XIII, 460 levels of Ar XIV and 156 levels of Ar XV have been calculated using the GRASP code of Dyall et al. (1989). Additionally, radiative rates, oscillator strengths, and line strengths are calculated for all electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), and magnetic quadrupole (M2) transitions among these levels. Comparisons are made with the limited results available in the literature, and the accuracy of the data is assessed. Our energy levels are estimated to be accurate to better than 1%, whereas results for other parameters are probably accurate to better than 20%. Additionally, the level lifetimes derived from our radiative rates are in excellent agreement with measured values.

Energy levels and transition probabilities for nitrogen-like Fe xx

Energies of the 700 lowest levels in Fe XX have been obtained using the multiconfiguration Dirac-Fock method. Configuration interaction method on the basis set of transformed radial orbitals with variable parameters taking into account relativistic corrections in the Breit-Pauli approximation was used to crosscheck our presented results. Transition probabilities, oscillator and line strengths are presented for electric dipole (E1), electric quadrupole (E2) and magnetic dipole (M1) transitions among these levels. The total radiative transition probabilities from each level are also provided. Results are compared with data compiled by NIST and with other theoretical work.

Relativistic allowed and forbidden transition probabilities for fluorine-like Fe XVIII

Energy levels and the corresponding transition probabilities for allowed and forbidden transitions among the levels of the ground configuration and first 23 excited configurations of fluorine-like Fe XVIII have been calculated using the multiconfigurational Dirac-Fock GRASP code. A total of 379 lowest bound levels of Fe XVIII is presented, and the energy levels are identified in spectroscopic notations. Transition probabilities, oscillator strengths and line strengths for electric dipole (E1), electric quadrupole (E2) and magnetic dipole (M1) transitions among these 379 levels are also presented. The calculated energy levels and transition probabilities are compared with experimental data.

Dirac-Fock energy levels and transition probabilities for oxygen-like Fe XIX

Multiconfigurational Dirac-Fock calculations are reported for 656 energy levels and the 214 840 electric dipole (E I), electric quadrupole (E2) and magnetic dipole (M1) transition probabilities in oxygen-like Fe xix. The spectroscopic notations as well as the total transition probabilities from each energy level are provided. Good agreement is found with data compiled by NIST.

Magnetic short-range order in the new ternary phase Mn8Pd15Si7

A new compound, Mn8Pd15Si7, is reported to crystallize in a face centered cubic unit cell of dimension a = 12.0141(2) angstrom, space groupFm (3) over barm, and can thus be classified as a G-phase. The crystal structure was studied by single crystal X-ray diffraction, X-ray and neutron powder diffraction and electron diffraction. A filled Mg6Cu16Si7 type structure was found, corresponding to the Sc11Ir4 type structure. The magnetic properties were investigated by magnetization measurements and Reverse Monte Carlo modeling of low temperature magnetic short-range order (SRO). Dominating near neighbor antiferromagnetic correlations were found between the Mn atoms and geometric frustration in combination with random magnetic interactions via metal sites with partial Mn occupancy were suggested to hinder formation of long-range magnetic order. 

MALTS: A Tool to Simulate Lorentz Transmission Electron Microscopy From Micromagnetic Simulations

Here we describe the development of the MALTS software which is a generalized tool that simulates Lorentz Transmission Electron Microscopy (LTEM) contrast of magnetic nanostructures. Complex magnetic nanostructures typically have multiple stable domain structures. MALTS works in conjunction with the open access micromagnetic software Object Oriented Micromagnetic Framework or MuMax. Magnetically stable trial magnetization states of the object of interest are input into MALTS and simulated LTEM images are output. MALTS computes the magnetic and electric phases accrued by the transmitted electrons via the Aharonov-Bohm expressions. Transfer and envelope functions are used to simulate the progression of the electron wave through the microscope lenses. The final contrast image due to these effects is determined by Fourier Optics. Similar approaches have been used previously for simulations of specific cases of LTEM contrast. The novelty here is the integration with micromagnetic codes via a simple user interface enabling the computation of the contrast from any structure. The output from MALTS is in good agreement with both experimental data and published LTEM simulations. A widely-available generalized code for the analysis of Lorentz contrast is a much needed step towards the use of LTEM as a standardized laboratory technique.

Element-specific depth profile of magnetism and stoichiometry at the La0.67Sr0.33MnO3/BiFeO3 interface

Depth-sensitive magnetic, structural and chemical characterization is important in the understanding and optimization of novel physical phenomena emerging at interfaces of transition metal oxide heterostructures. In a simultaneous approach we have used polarized neutron and resonant X-ray reflectometry to determine the magnetic profile across atomically sharp interfaces of ferromagnetic La0.67Sr0.33MnO3 / multiferroic BiFeO3 bi-layers with sub-nanometer resolution. In particular, the X-ray resonant magnetic reflectivity measurements at the Fe and Mn resonance edges allowed us to determine the element specific depth profile of the ferromagnetic moments in both the La0.67Sr0.33MnO3 and BiFeO3 layers. Our measurements indicate a magnetically diluted interface layer within the La0.67Sr0.33MnO3 layer, in contrast to previous observations on inversely deposited layers. Additional resonant X-ray reflection measurements indicate a region of an altered Mn- and O-content at the interface, with a thickness matching that of the magnetic diluted layer, as origin of the reduction of the magnetic moment.

Energy levels, radiative rates and electron impact excitation rates for transitions in Fe XIV

Energies and lifetimes are reported for the lowest 136 levels of Fe XIV, belonging to the (1s(2)2s(2)2p(6)) 3s(2)3p, 3s(3)p(2), 3s(2)3d, 3p(3), 3s(3)p(3)d, 3p(2)3d, 3s(3)d(2), 3p(3)d(2) and 3s(2)4l configurations. Additionally, radiative rates, oscillator strengths and line strengths are calculated for all electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2) and magnetic quadrupole (M2) transitions. Theoretical lifetimes determined from these radiative rates for most levels show satisfactory agreement with earlier calculations, a swell as with measurements. Electron impact excitation collision strengths are also calculated with the Dirac atomic R-matrix code (DARC) over a wide energy range up to 260 Ryd. Furthermore, resonances have been resolved in a fine energy mesh to determine effective collision strengths, obtained after integrating the collision strengths over a Maxwellian distribution of electron velocities. Results are listed for all 9180 transitions among the 136 levels over a wide range of electron temperatures, up to 10(7.1) K. Comparisons are made with available results in the literature, and the accuracy of the present data is assessed.

Reactores a tório: o futuro da energia nuclear de fissão

Dissertação para a obtenção do grau de mestre em Engenharia Electrotécnica Ramo de Energia