Structural, spectral and magnetic studies of two Co(II)-N-heterocyclic diphosphonates based on multinuclear units

NASA Astrophysics Data System (ADS)

Zhao, Chen; Ma, Kui-Rong; Zhang, Yu; Kan, Yu-He; Li, Rong-Qing; Hu, Hua-You

2016-01-01

Two examples of Co(II)-N-heterocyclic coordination polymers based on 1-hydroxyethylidenediphosphonic acid (H5L = CH3C(OH)(PO3H2)2), namely 0.5(H3NCH2CH2NH3)·[Co6(Cl2)(H3L)2(H2L)(HL)(2,2‧-bipy)6] 1 and 2(NH4)·[Co3(HL)2(H2O)2(phen)2]·2(H2O) 2, have been solvothermally obtained by introducing the second ligands 2,2‧-bipyridine/1,10-phenanthroline (2,2‧-bipy/phen) and characterized by powder X-ray diffraction (PXRD), elemental analysis, IR, TG-DSC. The single-crystal X-ray diffractions show that compound 1 possesses a 0-D structure with hexa-nuclear cluster [Co6(O-P-O)8] built through single/double O-P-O bridges and compound 2 displays a 1-D ladder-like chain structure with magnetic topology building blocks [Co4(O-P-O)4]n. Then H-bonding and π-π stacking interactions further expand the two low-dimensional structures into three-dimensional supramolecular frameworks. Fluorescent measurements reveal that both the maximum emission peaks of 1-2 are centered at 423 nm, mainly deriving from intraligand π*-π transition state of N-heterocyclic ligand 2,2‧-bipy/phen, respectively. Magnetism data indicate that 1 exhibits antiferromagnetic behavior within hexa-nuclear Co(II) clusters, while 2 shows weak ferromagnetic interactions in 1-D topology Co(II)-chain, showing promising potential as magnetic materials.

NMR studies of the helical antiferromagnetic compound EuCo2P2

NASA Astrophysics Data System (ADS)

Higa, N.; Ding, Q.-P.; Kubota, F.; Uehara, H.; Yogi, M.; Furukawa, Y.; Sangeetha, N. S.; Johnston, D. C.; Nakamura, A.; Hedo, M.; Nakama, T.; Ōnuki, Y.

2018-05-01

In EuCo2P2, 4f electron spins of Eu2+ ions order antiferromagnetically below a Néel temperature TN = 66.5 K . The magnetic structure below TN was reported to be helical with the helix axis along the c-axis from the neutron diffraction study. We report the results of 153Eu, 59Co and 31P nuclear magnetic resonance (NMR) measurements on EuCo2P2 using a single crystal and a powdered sample. In the antiferromagnetic (AFM) state, we succeeded in observing 153Eu, 59Co and 31P NMR spectra in zero magnetic field. The sharp 153Eu zero field NMR (ZF NMR) lines indicate homogeneous Eu ordered moment. The 59Co and 31P ZF NMR spectra showed an asymmetric spectral shape, indicating a distribution of the internal magnetic induction at each nuclear position. The AFM propagation vector k characterizing the helical AFM state can be determined from the internal magnetic induction at Co site. We have determined the model-independent value of the AFM propagation vector k distributed from (0, 0, 0.86)2π/c to (0, 0, 0.73)2π/c, where c is the lattice parameter.

Mild Hydroprocessing with Dispersed Catalyst of Highly Asphaltenic Pitch

NASA Astrophysics Data System (ADS)

Isquierdo, Fernanda

Asphaltene are known to have diverse negative impacts on heavy oil extraction and hydroprocessing. This research then, explores the optimal conditions to convert asphaltenes into lighter material using mild conditions of pressure and temperature, and investigates changes in asphaltene structure during hydroprocessing. Feedstock and products were characterized by Simulated Distillation, Microdeasphalting, Sulfur content, X-ray diffraction, X-ray photoelectron spectroscopy, and Nuclear magnetic resonance spectroscopy. Solid catalysts were analyzed by Themogravimetric analysis, X-ray diffraction, and Dynamic light scattering. Based on the results obtained from X-ray diffraction and Nuclear magnetic resonance spectroscopy analysis a mechanism for the asphaltene hydroprocessing at mild conditions is proposed in which the alky peripheric portion from the original asphaltenes is partially removed during the reaction. The consequence of that process being an increase in the stacking of the aromatics sheets in the remaining asphaltenes. Also, this study investigates different for ultradispersed catalyst compositions, where CoWS, CoMoS, NiWS, FeWS, NiMo/NaHFeSi 2O6 and NaHFeSi2O6 showed a high asphaltene conversion as determined by asphaltene microdeasphalting, FeMoS and NaHFeSi 2O6 presented a high Vacuum Residue as determined by distillation (SIMDIST) analysis conversion, and in terms of sulfur removal CoMoS gave the higher conversion. In addition, all the catalyst tested showed a coke production lower than 1%. Finally, a kinetic study for the pitch hydroprocessing using CoMoS as catalysts gave a global activation energy of 97.3 kJ/mol.

NMR crystallography of zeolites: How far can we go without diffraction data?

PubMed

Brouwer, Darren H; Van Huizen, Jared

2018-05-10

Nuclear magnetic resonance (NMR) crystallography-an approach to structure determination that seeks to integrate solid-state NMR spectroscopy, diffraction, and computation methods-has emerged as an effective strategy to determine structures of difficult-to-characterize materials, including zeolites and related network materials. This paper explores how far it is possible to go in determining the structure of a zeolite framework from a minimal amount of input information derived only from solid-state NMR spectroscopy. It is shown that the framework structure of the fluoride-containing and tetramethylammonium-templated octadecasil clathrasil material can be solved from the 1D 29 Si NMR spectrum and a single 2D 29 Si NMR correlation spectrum alone, without the space group and unit cell parameters normally obtained from diffraction data. The resulting NMR-solved structure is in excellent agreement with the structures determined previously by diffraction methods. It is anticipated that NMR crystallography strategies like this will be useful for structure determination of other materials, which cannot be solved from diffraction methods alone. Copyright © 2018 John Wiley & Sons, Ltd.

Magnetic interactions in NiO at ultrahigh pressure

DOE PAGES

Potapkin, Vasily; Dubrovinsky, Leonid; Sergueev, I.; ...

2016-05-24

Here, magnetic properties of NiO have been studied in the multimegabar pressure range by nuclear forward scattering of synchrotron radiation using the 67.4 keV M ssbauer transition of 61Ni. The observed magnetic hyperfine splitting confirms the antiferromagnetic state of NiO up to 280 GPa, the highest pressure where magnetism has been observed so far, in any material. Remarkably, the hyperfine field increases from 8.47 T at ambient pressure to ~24 T at the highest pressure, ruling out the possibility of a magnetic collapse. A joint x-ray diffraction and extended x-ray-absorption fine structure investigation reveals that NiO remains in a distortedmore » sodium chloride structure in the entire studied pressure range. Ab initio calculations support the experimental observations, and further indicate a complete absence of Mott transition in NiO up to at least 280 GPa.« less

Structural studies of homoisoflavonoids: NMR spectroscopy, X-ray diffraction, and theoretical calculations

NASA Astrophysics Data System (ADS)

Sievänen, Elina; Toušek, Jaromír; Lunerová, Kamila; Marek, Jaromír; Jankovská, Dagmar; Dvorská, Margita; Marek, Radek

2010-08-01

In this article we present a detailed structural investigation for five homoisoflavonoids, molecules important from the pharmacological point of view. For studying the electron distribution as well as its influence on the physicochemical properties, NMR spectroscopy, X-ray diffraction, and theoretical calculations have been used. Nuclear magnetic shieldings obtained by using DFT calculations for optimized molecular geometries are correlated with the experimentally determined chemical shifts. The theoretical data are well in agreement with the experimental values. The single crystal X-ray structures of homoisoflavonoid derivatives 1, 3, and 4 have been solved. The molecular geometries and crystal packing determined by X-ray diffraction are used for characterizing the intermolecular interactions. Electron distribution is crucial for the stability of radicals and hence the antioxidant efficiency of flavonoid structures. The hydrogen bonding governs the formation of complexes of homoisoflavonoids with biological targets.

NMR studies of the helical antiferromagnetic compound EuCo 2P 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Higa, N.; Ding, Q. -P.; Johnston, D. C.

In EuCo 2P 2, 4 f electron spins of Eu 2+ ions order antiferromagnetically below a Neel temperature T N = 66.5K. The magnetic structure below T N was reported to be helical with the helix axis along the c-axis from the neutron diffraction study. We report the results of 153Eu, 59Co and 31P nuclear magnetic resonance (NMR) measurements on EuCo 2P 2 using a single crystal and a powdered sample. In the antiferromagnetic (AFM) state, we succeeded in observing 153Eu, 59Co and 31P NMR spectra in zero magnetic field. The sharp 153Eu zero field NMR (ZF NMR) lines indicatemore » homogeneous Eu ordered moment. The 59Co and 31P ZF NMR spectra showed an asymmetric spectral shape, indicating a distribution of the internal magnetic induction at each nuclear position. The AFM propagation vector k characterizing the helical AFM state can be determined from the internal magnetic induction at Co site. In conclusion, we have determined the model-independent value of the AFM propagation vector k distributed from (0, 0, 0.86)2π/c to (0, 0, 0.73)2π/c, where c is the lattice parameter.« less

NMR studies of the helical antiferromagnetic compound EuCo 2P 2

DOE PAGES

Higa, N.; Ding, Q. -P.; Johnston, D. C.; ...

2017-09-18

In EuCo 2P 2, 4 f electron spins of Eu 2+ ions order antiferromagnetically below a Neel temperature T N = 66.5K. The magnetic structure below T N was reported to be helical with the helix axis along the c-axis from the neutron diffraction study. We report the results of 153Eu, 59Co and 31P nuclear magnetic resonance (NMR) measurements on EuCo 2P 2 using a single crystal and a powdered sample. In the antiferromagnetic (AFM) state, we succeeded in observing 153Eu, 59Co and 31P NMR spectra in zero magnetic field. The sharp 153Eu zero field NMR (ZF NMR) lines indicatemore » homogeneous Eu ordered moment. The 59Co and 31P ZF NMR spectra showed an asymmetric spectral shape, indicating a distribution of the internal magnetic induction at each nuclear position. The AFM propagation vector k characterizing the helical AFM state can be determined from the internal magnetic induction at Co site. In conclusion, we have determined the model-independent value of the AFM propagation vector k distributed from (0, 0, 0.86)2π/c to (0, 0, 0.73)2π/c, where c is the lattice parameter.« less

High Pressure Low Temperature X-Ray Diffraction Studies of UO2 and UN single crystals.

NASA Astrophysics Data System (ADS)

Antonio, Daniel; Mast, Daniel; Lavina, Barbara; Gofryk, Krzysztof

Uranium dioxide is the most commonly used nuclear fuel material in commercial reactors, while uranium nitride also has many thermal and physical properties that make it attractive for potential use in reactors. Both have a cubic fcc lattice structure at ambient conditions and transition to antiferromagnetic order at low temperature. UO2 is a Mott insulator that orders in a complex non-collinear 3k magnetic structure at about 30 K, while UN has appreciable conductivity and orders in a simpler 1k magnetic structure below 52 K. Both compounds are characterized by strong magneto-structural interactions, understanding of which is vital for modeling their thermo-physical properties. While UO2 and UN have been extensively studied at and above room temperature, little work has been done to directly study the structure of these materials at low temperatures where magnetic interactions are dominant. In the course of our systematic studies on magneto vibrational behavior of UO2 and UN, here we present our recent results of high pressure X-Ray Diffraction (up to 35 GPa) measured below the Neel temperature using synchrotron radiation. Work supported by the Department of Energy, Office of Basic Energy Sciences, Materials Sciences, and Engineering Division.

Mesoscopic monodisperse ferromagnetic colloids enable magnetically controlled photonic crystals.

PubMed

Xu, Xiangling; Majetich, Sara A; Asher, Sanford A

2002-11-20

We report here the first synthesis of mesoscopic, monodisperse particles which contain nanoscopic inclusions of ferromagnetic cobalt ferrites. These monodisperse ferromagnetic composite particles readily self-assemble into magnetically responsive photonic crystals that efficiently Bragg diffract incident light. Magnetic fields can be used to control the photonic crystal orientation and, thus, the diffracted wavelength. We demonstrate the use of these ferromagnetic particles to fabricate magneto-optical diffracting fluids and magnetically switchable diffracting mirrors.

NMR crystallography: structure and properties of materials from solid-state nuclear magnetic resonance observables

PubMed Central

Bryce, David L.

2017-01-01

This topical review provides a brief overview of recent developments in NMR crystallography and related NMR approaches to studying the properties of molecular and ionic solids. Areas of complementarity with diffraction-based methods are underscored. These include the study of disordered systems, of dynamic systems, and other selected examples where NMR can provide unique insights. Highlights from the literature as well as recent work from my own group are discussed. PMID:28875022

Note on use of slope diffraction coefficients for aperture antennas on finite ground planes

NASA Technical Reports Server (NTRS)

Cockrell, C. R.; Beck, F. B.

1995-01-01

The use of slope diffraction coefficients along with regular diffraction coefficients for calculating the radiation patterns of aperture antennas in a finite ground plane is investigated. Explicit expressions for regular diffraction coefficients and slope diffraction coefficients are presented. The expressions for the incident magnetic field in terms of the magnetic current in the aperture are given. The slope of the incident magnetic field is calculated and closed form expressions are presented.

Nuclear surface diffuseness revealed in nucleon-nucleus diffraction

NASA Astrophysics Data System (ADS)

Hatakeyama, S.; Horiuchi, W.; Kohama, A.

2018-05-01

The nuclear surface provides useful information on nuclear radius, nuclear structure, as well as properties of nuclear matter. We discuss the relationship between the nuclear surface diffuseness and elastic scattering differential cross section at the first diffraction peak of high-energy nucleon-nucleus scattering as an efficient tool in order to extract the nuclear surface information from limited experimental data involving short-lived unstable nuclei. The high-energy reaction is described by a reliable microscopic reaction theory, the Glauber model. Extending the idea of the black sphere model, we find one-to-one correspondence between the nuclear bulk structure information and proton-nucleus elastic scattering diffraction peak. This implies that we can extract both the nuclear radius and diffuseness simultaneously, using the position of the first diffraction peak and its magnitude of the elastic scattering differential cross section. We confirm the reliability of this approach by using realistic density distributions obtained by a mean-field model.

Electron diffraction covering a wide angular range from Bragg diffraction to small-angle diffraction.

PubMed

Nakajima, Hiroshi; Kotani, Atsuhiro; Harada, Ken; Mori, Shigeo

2018-04-09

We construct an electron optical system to investigate Bragg diffraction (the crystal lattice plane, 10-2 to 10-3 rad) with the objective lens turned off by adjusting the current in the intermediate lenses. A crossover was located on the selected-area aperture plane. Thus, the dark-field imaging can be performed by using a selected-area aperture to select Bragg diffraction spots. The camera length can be controlled in the range of 0.8-4 m without exciting the objective lens. Furthermore, we can observe the magnetic-field dependence of electron diffraction using the objective lens under weak excitation conditions. The diffraction mode for Bragg diffraction can be easily switched to a small-angle electron diffraction mode having a camera length of more than 100 m. We propose this experimental method to acquire electron diffraction patterns that depict an extensive angular range from 10-2 to 10-7 rad. This method is applied to analyze the magnetic microstructures in three distinct magnetic materials, i.e. a uniaxial magnetic structure of BaFe10.35Sc1.6Mg0.05O19, a martensite of a Ni-Mn-Ga alloy, and a helical magnetic structure of Ba0.5Sr1.5Zn2Fe12O22.

Stable low-pressure hydrogen clusters stored in a binary clathrate hydrate.

PubMed

Florusse, Louw J; Peters, Cor J; Schoonman, Joop; Hester, Keith C; Koh, Carolyn A; Dec, Steven F; Marsh, Kenneth N; Sloan, E Dendy

2004-10-15

Thermodynamic, x-ray diffraction, and Raman and nuclear magnetic resonance spectroscopy measurements show that clusters of H2 can be stabilized and stored at low pressures in a sII binary clathrate hydrate. Clusters of H2 molecules occupy small water cages, whereas large water cages are singly occupied by tetrahydrofuran. The presence of this second guest component stabilizes the clathrate at pressures of 5 megapascals at 279.6 kelvin, versus 300 megapascals at 280 kelvin for pure H2 hydrate.

[Study on chemical compositions and crystallinity changes of bamboo treated with gamma rays].

PubMed

Sun, Feng-Bo; Jiang, Ze-hui; Fei, Ben-hua; Lu, Fang; Yu, Zi-xuan; Chang, Xiang-zhen

2011-07-01

The structures and qualities of main chemical compositions in cell wall of bamboo treated with gamma rays were tested by nuclear magnetic resonance spectrometer (NMR) and X-ray Diffraction (XRD). The result indicated that the bamboo crystallinity increased at the beginning of irradiation process, while the crystallinity reduced when the irradiation dose was raised to about 100 kGy. During the whole irradiation process, hemicellulose degraded, and with the irradiation doses increased the non-phenolic lignin changed to the phenolic.

Early history of neutron scattering at oak ridge

NASA Astrophysics Data System (ADS)

Wilkinson, M. K.

1986-03-01

Most of the early development of neutron scattering techniques utilizing reactor neutrons occurred at the Oak Ridge National Laboratory during the years immediately following World War II. C.G. Shull, E.O. Wollan, and their associates systematically established neutron diffraction as a quantitative research tool and then applied this technique to important problems in nuclear physics, chemical crystallography, and magnetism. This article briefly summarizes the very important research at ORNL during this period, which laid the foundation for the establishment of neutron scattering programs throughout the world.

Effect of annealing conditions on the microstructure and magnetic properties of sintered Nd-Fe-B magnets as seen by magnetic small-angle neutron scattering

NASA Astrophysics Data System (ADS)

Périgo, Élio A.; Titov, Ivan; Weber, Raoul; Mettus, Denis; Peral, Inma; Vallcorba, Oriol; Honecker, Dirk; Feoktystov, Artem; Michels, Andreas

2018-03-01

We have investigated the effect of the annealing conditions (heating rate and temperature) on the magnetic microstructure of sintered Nd-Fe-B magnets by means of magnetometry, scanning electron microscopy, high-energy synchrotron x-ray diffraction, and small-angle neutron scattering (SANS). While the temperature treatment has a strong effect on the coercivity (reduction by about 50% on annealing), the associated changes in the microstructure do surprisingly not show up (or at best only very weakly) in the neutron-scattering signal, which probes a mesoscopic real-space length scale ranging between about 1–300 nm. On the other hand, the x-ray data reveal microstructural changes in the Nd-rich phases, presumably due to modifications in grain-boundary regions. Moreover, we observe an unusual diamond-shaped angular anisotropy in the SANS cross section, which strongly points towards the existence of texture in the nuclear microstructure.

Solution and Solid State Nuclear Magnetic Resonance Spectroscopic Characterization of Efavirenz.

PubMed

Sousa, Eduardo Gomes Rodrigues de; Carvalho, Erika Martins de; San Gil, Rosane Aguiar da Silva; Santos, Tereza Cristina Dos; Borré, Leandro Bandeira; Santos-Filho, Osvaldo Andrade; Ellena, Javier

2016-09-01

Samples of efavirenz (EFZ) were evaluated to investigate the influence of the micronization process on EFZ stability. A combination of X-ray diffraction, thermal analysis, FTIR, observations of isotropic chemical shifts of (1)H in distinct solvents, their temperature dependence and spin-lattice relaxation time constants (T1), solution (1D and 2D) (13)C nuclear magnetic resonance (NMR), and solid-state (13)C NMR (CPMAS NMR) provides valuable structural information and structural elucidation of micronized EFZ and heptane-recrystallized polymorphs (EFZ/HEPT). This study revealed that the micronization process did not affect the EFZ crystalline structure. It was observed that the structure of EFZ/HEPT is in the same form as that obtained from ethyl acetate/hexane, as shown in the literature. A comparison of the solid-state NMR spectra revealed discrepancies regarding the assignments of some carbons published in the literature that have been resolved. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Ferromagnetic dinuclear mixed-valence Mn(II)/Mn(III) complexes: building blocks for the higher nuclearity complexes. structure, magnetic properties, and density functional theory calculations.

PubMed

Hänninen, Mikko M; Välivaara, Juha; Mota, Antonio J; Colacio, Enrique; Lloret, Francesc; Sillanpää, Reijo

2013-02-18

A series of six mixed-valence Mn(II)/Mn(III) dinuclear complexes were synthesized and characterized by X-ray diffraction. The reactivity of the complexes was surveyed, and structures of three additional trinuclear mixed-valence Mn(III)/Mn(II)/Mn(III) species were resolved. The magnetic properties of the complexes were studied in detail both experimentally and theoretically. All dinuclear complexes show ferromagnetic intramolecular interactions, which were justified on the basis of the electronic structures of the Mn(II) and Mn(III) ions. The large Mn(II)-O-Mn(III) bond angle and small distortion of the Mn(II) cation from the ideal square pyramidal geometry were shown to enhance the ferromagnetic interactions since these geometrical conditions seem to favor the orthogonal arrangement of the magnetic orbitals.

No evidence for orbital loop currents in charge-ordered YBa2Cu3O6 +x from polarized neutron diffraction

NASA Astrophysics Data System (ADS)

Croft, T. P.; Blackburn, E.; Kulda, J.; Liang, Ruixing; Bonn, D. A.; Hardy, W. N.; Hayden, S. M.

2017-12-01

It has been proposed that the pseudogap state of underdoped cuprate superconductors may be due to a transition to a phase which has circulating currents within each unit cell. Here, we use polarized neutron diffraction to search for the corresponding orbital moments in two samples of underdoped YBa2Cu3O6 +x with doping levels p =0.104 and 0.123. In contrast to some other reports using polarized neutrons, but in agreement with nuclear magnetic resonance and muon spin rotation measurements, we find no evidence for the appearance of magnetic order below 300 K. Thus, our experiment suggests that such order is not an intrinsic property of high-quality cuprate superconductor single crystals. Our results provide an upper bound for a possible orbital loop moment which depends on the pattern of currents within the unit cell. For example, for the CC-θI I pattern proposed by Varma, we find that the ordered moment per current loop is less than 0.013 μB for p =0.104 .

Structure and physicochemical properties of starches in lotus (Nelumbo nucifera Gaertn.) rhizome

PubMed Central

Yu, Huaguang; Cheng, Libao; Yin, Jingjing; Yan, Shunjun; Liu, Kejun; Zhang, Fengmin; Xu, Bin; Li, Liangjun

2013-01-01

The type and content of starch are believed to be the most critical factors in determining the storage and processing quality of lotus rhizome species, and the intention of this study is to survey the structure and properties of starches isolated from rhizomes of two lotus cultivars using X-ray powder diffraction, solid-state nuclear magnetic resonance spectroscopy, attenuated total reflectance-Fourier transform infrared spectroscopy, scanning electron microscope, differential scanning calorimetry, and rapid viscosity analyzer (RVA). Starch in rhizome of cultivar Meirenhong exhibited C-type X-ray diffraction pattern, while starch in rhizome of cultivar Wawalian showed A-type pattern. 13C cross-polarization magic-angle spinning nuclear magnetic resonance (13C CP-MAS NMR) also confirmed the polymorphs. The relative crystallinity of two starches was quantitatively estimated from two methods and compared. Attenuated total reflectance-Fourier transform infrared (ATR-FTIR) results indicated that the external regions of the starch granules had a great level of ordered structure. Starch granules in Meirenhong showed oval-shaped granules, while starch granules in Wawalian were elongated and oval in shape with relatively large size. Gelatinization temperatures of starch in Meirenhong and Wawalian were 330.5 and 342.4 K, respectively, and the gelatinization temperature range of Meirenhong was significantly wider than that of Wawalian. Starch in rhizome of cultivar Meirenhong showed lower pasting temperature, lower hot and cool viscosities, lower setback, and higher peak viscosity and breakdown than those of Wawalian in RVA pasting profiles at 6% starch concentration. PMID:24804031

Development of Ferrite-Based Temperature Sensors for Magnetic Resonance Imaging: A Study of Cu1 -xZnxFe2O4

NASA Astrophysics Data System (ADS)

Alghamdi, N. A.; Hankiewicz, J. H.; Anderson, N. R.; Stupic, K. F.; Camley, R. E.; Przybylski, M.; Żukrowski, J.; Celinski, Z.

2018-05-01

We investigate the use of Cu1 -xZnxFe2O4 ferrites (0.60

Electric and magnetic polarization singularities of first-order Laguerre-Gaussian beams diffracted at a half-plane screen.

PubMed

Luo, Yamei; Gao, Zenghui; Tang, Bihua; Lü, Baida

2013-08-01

Based on the vector Fresnel diffraction integrals, analytical expressions for the electric and magnetic components of first-order Laguerre-Gaussian beams diffracted at a half-plane screen are derived and used to study the electric and magnetic polarization singularities in the diffraction field for both two- and three-dimensional (2D and 3D) cases. It is shown that there exist 2D and 3D electric and magnetic polarization singularities in the diffraction field, which do not coincide each other in general. By suitably varying the waist width ratio, off-axis displacement parameter, amplitude ratio, or propagation distance, the motion, pair-creation, and annihilation of circular polarization singularities, and the motion of linear polarization singularities take place in 2D and 3D electric and magnetic fields. The V point, at which two circular polarization singularities with the same topological charge but opposite handedness collide, appears in the 2D electric field under certain conditions in the diffraction field and free-space propagation. A comparison with the free-space propagation is also made.

Optical imaging using spatial grating effects in ferrofluids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dave, Vishakha; Virpura, Hiral; Patel, Rajesh, E-mail: rjp@mkbhavuni.edu.in

2015-06-24

Under the effect of magnetic field the magnetic nanoparticles of the ferrofluid tend to align in the direction of the magnetic field. This alignment of the magnetic nanoparticles behaves as a spatial grating and diffract light, when light is propagating perpendicular to the direction of the applied magnetic field. The chains of the magnetic nanoparticles represents a linear series of fringes like those observed in a grating/wire. Under applied magnetic field the circular beam of light transforms into a prominent diffraction line in the direction perpendicular to the applied magnetic field. This diffracted light illuminates larger area on the screen.more » This behavior can be used as magneto controlled illumination of the object and image analysis.« less

New Polymorph Form of Dexamethasone Acetate.

PubMed

Silva, Ronaldo Pedro da; Ambrósio, Mateus Felipe Schuchter; Piovesan, Luciana Almeida; Freitas, Maria Clara Ramalho; Aguiar, Daniel Lima Marques de; Horta, Bruno Araújo Cautiero; Epprecht, Eugenio Kahn; San Gil, Rosane Aguiar da Silva; Visentin, Lorenzo do Canto

2018-02-01

A new monohydrated polymorph of dexamethasone acetate was crystallized and its crystal structure characterized. The different analytical techniques used for describing its structural and vibrational properties were: single crystal and polycrystal X-ray diffraction, solid state nuclear magnetic resonance, infrared spectroscopy. A Hirshfeld surface analysis was carried out through self-arrangement cemented by H-bonds observed in this new polymorph. This new polymorph form appeared because of self-arrangement via classical hydrogen bonds around the water molecule. Copyright © 2018 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Stress induced modulation of magnetic domain diffraction of single crystalline yttrium iron garnet

NASA Astrophysics Data System (ADS)

Mito, Shinichiro; Yoshihara, Yuki; Takagi, Hiroyuki; Inoue, Mitsuteru

2018-05-01

Stress induced modulation of the diffraction angle and efficiency of the light reflected from a stripe-domain magnetic garnet was demonstrated. The spacing of the magnetic domain was changed using the inverse magnetostriction effect. The sample structure was a piezo actuator/Al reflection layer/magnetic garnet substrate. A diffraction angle between the 0th and 1st ordered light was changed from 9.12 deg. to 10.20 deg. This result indicates that the domain spacing was changed from 3.3 μm to 3.0 μm. The change of the diffraction angle was irreversible for the voltage. However, reversible, linear and continuous change of the diffraction efficiency was observed. These results could be applicable for a voltage-driven optical solid state light deflector with low power consumption and high switching speed.

Effect of recording condition on the diffraction efficiency of magnetic hologram with magnetic garnet films

NASA Astrophysics Data System (ADS)

Nakamura, Yuichi; Takagi, Hiroyuki; Lim, Pang Boey; Inoue, Mitsuteru

2014-09-01

A holographic memory has been attracting attention as recording media with high recording density and high data transfer rate. We have studied the magnetic garnets as a rewritable and long life media for magnetic holography. However, since the signal intensity of reconstructed image was relatively low, the effects of recording conditions on the diffraction efficiency of magnetic hologram were investigated with experiments and the numerical simulation using COMSOL multi-physics. The diffraction efficiency tends to decrease as increasing the spatial frequency, and the use of short pulse laser with the pulse width of 50 ps was found to be effective to achieve high diffraction efficiency. This suggests that the formation of clear magnetic fringe similar to interference pattern can be obtained by the use of short pulse laser since undesirable heat diffusion during radiation does not occur. On the other hand, the diffraction efficiency increased as increasing the film thickness up to 3.1 μm but was saturated in the garnet film thicker than 3.1 μm in the case of spatial frequency of 1500 line pair/mm. The numerical simulation showed that the effective depth of magnetic fringe was limited about 1.8 μm irrespective of the garnet film thickness because the fringes were connected by thermal diffusion near the surface of the film, and the effective depth is limited due to this connection of the magnetic fringe. Avoiding this fringe connection, much higher diffraction efficiency will be achieved.

Digital lock-in detection of site-specific magnetism in magnetic materials

DOEpatents

Haskel, Daniel [Naperville, IL; Lang, Jonathan C [Naperville, IL; Srajer, George [Oak Park, IL

2008-07-22

The polarization and diffraction characteristics of x-rays incident upon a magnetic material are manipulated to provide a desired magnetic sensitivity in the material. The contrast in diffracted intensity of opposite helicities of circularly polarized x-rays is measured to permit separation of magnetic signals by element type and by atomic environment. This allows for the direct probing of magnetic signals from elements of the same species in nonequivalent atomic environments to better understand the behavior and characteristics of permanent magnetic materials. By using known crystallographic information together with manipulation of the polarization of x-rays having energies tuned near element-specific electronic excitations and by detecting and comparing the incident and diffracted photons at the same frequency, more accurate magnetic measurements can be made over shorter observation periods.

Neutron diffraction study of the inverse spinels Co2TiO4 and Co2SnO4

NASA Astrophysics Data System (ADS)

Thota, S.; Reehuis, M.; Maljuk, A.; Hoser, A.; Hoffmann, J.-U.; Weise, B.; Waske, A.; Krautz, M.; Joshi, D. C.; Nayak, S.; Ghosh, S.; Suresh, P.; Dasari, K.; Wurmehl, S.; Prokhnenko, O.; Büchner, B.

2017-10-01

We report a detailed single-crystal and powder neutron diffraction study of Co2TiO4 and Co2SnO4 between the temperature 1.6 and 80 K to probe the spin structure in the ground state. For both compounds the strongest magnetic intensity was observed for the (111)M reflection due to ferrimagnetic ordering, which sets in below TN=48.6 and 41 K for Co2TiO4 and Co2SnO4 , respectively. An additional low intensity magnetic reflection (200)M was noticed in Co2TiO4 due to the presence of an additional weak antiferromagnetic component. Interestingly, from both the powder and single-crystal neutron data of Co2TiO4 , we noticed a significant broadening of the magnetic (111)M reflection, which possibly results from the disordered character of the Ti and Co atoms on the B site. Practically, the same peak broadening was found for the neutron powder data of Co2SnO4 . On the other hand, from our single-crystal neutron diffraction data of Co2TiO4 , we found a spontaneous increase of particular nuclear Bragg reflections below the magnetic ordering temperature. Our data analysis showed that this unusual effect can be ascribed to the presence of anisotropic extinction, which is associated to a change of the mosaicity of the crystal. In this case, it can be expected that competing Jahn-Teller effects acting along different crystallographic axes can induce anisotropic local strain. In fact, for both ions Ti3 + and Co3 +, the 2 tg levels split into a lower dx y level yielding a higher twofold degenerate dx z/dy z level. As a consequence, one can expect a tetragonal distortion in Co2TiO4 with c /a <1 , which we could not significantly detect in the present work.

Hard X-ray polarizer to enable simultaneous three-dimensional nanoscale imaging of magnetic structure and lattice strain

DOE PAGES

Logan, Jonathan; Harder, Ross; Li, Luxi; ...

2016-01-01

Recent progress in the development of dichroic Bragg coherent diffractive imaging, a new technique for simultaneous three-dimensional imaging of strain and magnetization at the nanoscale, is reported. This progress includes the installation of a diamond X-ray phase retarder at beamline 34-ID-C of the Advanced Photon Source. Here, the performance of the phase retarder for tuning X-ray polarization is demonstrated with temperature-dependent X-ray magnetic circular dichroism measurements on a gadolinium foil in transmission and on a Gd 5Si 2Ge 2crystal in diffraction geometry with a partially coherent, focused X-ray beam. Feasibility tests for dichroic Bragg coherent diffractive imaging are presented. Thesemore » tests include (1) using conventional Bragg coherent diffractive imaging to determine whether the phase retarder introduces aberrations using a nonmagnetic gold nanocrystal as a control sample, and (2) collecting coherent diffraction patterns of a magnetic Gd 5Si 2Ge 2nanocrystal with left- and right-circularly polarized X-rays. Future applications of dichroic Bragg coherent diffractive imaging for the correlation of strain and lattice defects with magnetic ordering and inhomogeneities are considered.« less

Negative thermal expansion and magnetoelastic coupling in the breathing pyrochlore lattice material LiGaCr4S8

NASA Astrophysics Data System (ADS)

Pokharel, G.; May, A. F.; Parker, D. S.; Calder, S.; Ehlers, G.; Huq, A.; Kimber, S. A. J.; Arachchige, H. Suriya; Poudel, L.; McGuire, M. A.; Mandrus, D.; Christianson, A. D.

2018-04-01

The physical properties of the spinel LiGaCr4S8 have been studied with neutron diffraction, x-ray diffraction, magnetic susceptibility, and heat capacity measurements. The neutron diffraction and synchrotron x-ray diffraction data reveal negative thermal expansion (NTE) below 111(4) K. The magnetic susceptibility deviates from Curie-Weiss behavior with the onset of NTE. At low temperature a broad peak in the magnetic susceptibility at 10.3(3) K is accompanied by the return of normal thermal expansion. First-principles calculations find a strong coupling between the lattice and the simulated magnetic ground state. These results indicate strong magnetoelastic coupling in LiGaCr4S8 .

Comparing results of X-ray diffraction, µ-Raman spectroscopy and neutron diffraction when identifying chemical phases in seized nuclear material, during a comparative nuclear forensics exercise.

PubMed

Rondahl, Stina Holmgren; Pointurier, Fabien; Ahlinder, Linnea; Ramebäck, Henrik; Marie, Olivier; Ravat, Brice; Delaunay, François; Young, Emma; Blagojevic, Ned; Hester, James R; Thorogood, Gordon; Nelwamondo, Aubrey N; Ntsoane, Tshepo P; Roberts, Sarah K; Holliday, Kiel S

2018-01-01

This work presents the results for identification of chemical phases obtained by several laboratories as a part of an international nuclear forensic round-robin exercise. In this work powder X-ray diffraction (p-XRD) is regarded as the reference technique. Neutron diffraction produced a superior high-angle diffraction pattern relative to p-XRD. Requiring only small amounts of sample, µ-Raman spectroscopy was used for the first time in this context as a potentially complementary technique to p-XRD. The chemical phases were identified as pure UO 2 in two materials, and as a mixture of UO 2 , U 3 O 8 and an intermediate species U 3 O 7 in the third material.

Nuclear and magnetic supercells in the multiferroic candidate: Pb 3TeMn 3P 2O 14

DOE PAGES

Silverstein, Harlyn J.; Huq, Ashfia; Lee, Minseong; ...

2014-10-18

Here we report that the dugganites, Te 6+-containing members of the langasite series, have attracted recent interest due to their complex low-temperature magnetic unit cells, magnetodielectric, and potentially multiferroic properties. For Pb 2+-containing dugganites, a large monoclinic supercell was reported and was found to have a profound effect on the low temperature magnetism and spin excitation spectra. Pb 3TeMn 3P 2O 14 is another dugganite previously shown to distort away from the canonical P321 langasite unit cell, although this supercell was never fully solved. We report the full crystal and magnetic structure solution of Pb 3TeMn 3P 2O 14 usingmore » synchrotron x-ray and neutron diffraction data: a large trigonal supercell is observed in this material, which is believed to be the first supercell of its kind in the langasite family. Here, the magnetic structure, high-magnetic field behavior, and dielectric properties of Pb 3TeMn 3P 2O 14 are presented. In addition to showing weak magnetoelectric behavior similar to other langasites, it was found that a phase transition occurs at 3 T near the antiferromagnetic transition temperature.« less

Studies of Atomic Free Radicals Stored in a Cryogenic Environment

NASA Technical Reports Server (NTRS)

Lee, David M.; Hubbard, Dorthy (Technical Monitor); Alexander, Glen (Technical Monitor)

2003-01-01

Impurity-Helium Solids are porous gel-like solids consisting of impurity atoms and molecules surrounded by thin layers of solid helium. They provide an ideal medium for matrix isolation of free radicals to prevent recombination and store chemical energy. In this work electron spin resonance, nuclear magnetic resonance, X-ray diffraction, and ultrasound techniques have all been employed to study the properties of these substances. Detailed studies via electron spin resonance of exchange tunneling chemical reactions involving hydrogen and deuterium molecular and atomic impurities in these solids have been performed and compared with theory. Concentrations of hydrogen approaching the quantum solid criterion have been produced. Structured studies involving X ray diffraction, ultrasound, and electron spin resonance have shown that the impurities in impurity helium solids are predominantly contained in impurity clusters, with each cluster being surrounded by thin layers of solid helium.

Short and medium range structures of 80GeSe2–20Ga2Se3 chalcogenide glasses

NASA Astrophysics Data System (ADS)

Petracovschi, Elena; Calvez, Laurent; Cormier, Laurent; Le Coq, David; Du, Jincheng

2018-05-01

The short and medium range structures of 80GeSe2–20Ga2Se3 (or Ge23.5Ga11.8Se64.7) chalcogenide glasses have been studied by combining ab initio molecular dynamics (AIMD) simulations and experimental neutron diffraction studies. The structure factor and total correlation function were calculated from glass structures generated from AIMD simulations and compared with neutron diffraction experiments showing reasonable agreement. The atomic structures of ternary chalcogenide glasses were analyzed in detail, and it was found that gallium atoms are four-fold coordinated by selenium (Se) and form [GaSe4] tetrahedra. Germanium atoms on average also have four-fold coordination, among which Se is 3.5 with the remaining being Ge–Ge homo-nuclear bonds. Ga and Ge tetrahedra link together mainly through corner-sharing and some edge-sharing of Se. No homo-nuclear bonds were observed among Ga atoms or between Ge and Ga. In addition, Se–Se homo-nuclear bonds and Se chains with various lengths were observed. A small fraction of Se atom triclusters that bond to three cations of Ge and Ga were also observed, confirming earlier proposals from 77Se solid state nuclear magnetic resonance studies. Furthermore, the electronic structures of ternary chalcogenide glasses were studied in terms of atomic charge and electronic density of states in order to gain insights into the chemical bonding and electronic properties, as well as to provide an explanation of the observed atomic structures in these ternary chalcogenide glasses.

Frustration of square cupola in Sr(TiO)Cu4(PO4)4

NASA Astrophysics Data System (ADS)

Islam, S. S.; Ranjith, K. M.; Baenitz, M.; Skourski, Y.; Tsirlin, A. A.; Nath, R.

2018-05-01

The structural and magnetic properties of the square-cupola antiferromagnet Sr (TiO ) Cu4(PO4)4 are investigated via x-ray diffraction, magnetization, heat capacity, and 31P nuclear magnetic resonance experiments on polycrystalline samples, as well as density-functional band-structure calculations. The temperature-dependent unit-cell volume could be described well using the Debye approximation with a Debye temperature of θD≃ 550 K. Magnetic response reveals a pronounced two-dimensionality with a magnetic long-range order below TN≃6.2 K. High-field magnetization exhibits a kink at about 1 /3 of the saturation magnetization. Asymmetric 31P NMR spectra clearly suggest strong in-plane anisotropy in the magnetic susceptibility, as anticipated from the crystal structure. From the 31P NMR shift versus bulk susceptibility plot, the isotropic and axial parts of the hyperfine coupling between the 31P nuclei and the Cu2 + spins are calculated to be Ahfiso≃6539 and Ahfax≃952 Oe/μB, respectively. The low-temperature and low-field 31P NMR spectra indicate a commensurate antiferromagnetic ordering. The frustrated nature of the compound is inferred from the temperature-dependent 31P NMR spin-lattice relaxation rate and confirmed by our microscopic analysis, which reveals strong frustration of the square cupola by next-nearest-neighbor exchange couplings.

Magnetic field gradient driven self-assembly of superparamagnetic nanoparticles using programmable magnetically-recorded templates

NASA Astrophysics Data System (ADS)

Ye, L.; Qi, B.; Lawton, T. G.; Mefford, O. T.; Rinaldi, C.; Garzon, S.; Crawford, T. M.

2013-03-01

Using the enormous magnetic field gradients (100 MT/m @ z =20 nm) present near the surface of magnetic recording media, we demonstrate the fabrication of diffraction gratings with lines consisting entirely of magnetic nanoparticles assembled from a colloidal fluid onto a disk drive medium, followed by transfer to a flexible and transparent polymer thin film. These nanomanufactured gratings have line spacings programmed with commercial magnetic recording and are inherently concave with radii of curvature controlled by varying the polymer film thickness. The diffracted intensity increases non-monotonically with the length of time the colloidal fluid remains on the disk surface. In addition to comparing longitudinal and perpendicular magnetic recording, a combination of spectral diffraction efficiency measurements, magnetometry, scanning electron microscopy and inductively coupled plasma atomic emmission spectroscopy of these gratings are employed to understand colloidal nanoparticle dynamics in this extreme gradient limit. Such experiments are necessary to optimize nanoparticle assembly and obtain uniform patterned features. This low-cost and sustainable approach to nanomanufacturing could enable low-cost, high-quality diffraction gratings as well as more complex polymer nanocomposite materials assembled with single-nanometer precision.

A combined solid-state NMR and X-ray crystallography study of the bromide ion environments in triphenylphosphonium bromides.

PubMed

Burgess, Kevin M N; Korobkov, Ilia; Bryce, David L

2012-04-27

Multinuclear ((31)P and (79/81)Br), multifield (9.4, 11.75, and 21.1 T) solid-state nuclear magnetic resonance experiments are performed for seven phosphonium bromides bearing the triphenylphosphonium cation, a molecular scaffold found in many applications in chemistry. This is undertaken to fully characterise their bromine electric field gradient (EFG) tensors, as well as the chemical shift (CS) tensors of both the halogen and the phosphorus nuclei, providing a rare and novel insight into the local electronic environments surrounding them. New crystal structures, obtained from single-crystal X-ray diffraction, are reported for six compounds to aid in the interpretation of the NMR data. Among them is a new structure of BrPPh(4), because the previously reported one was inconsistent with our magnetic resonance data, thereby demonstrating how NMR data of non-standard nuclei can correct or improve X-ray diffraction data. Our results indicate that, despite sizable quadrupolar interactions, (79/81)Br magnetic resonance spectroscopy is a powerful characterisation tool that allows for the differentiation between chemically similar bromine sites, as shown through the range in the characteristic NMR parameters. (35/37)Cl solid-state NMR data, obtained for an analogous phosphonium chloride sample, provide insight into the relationship between unit cell volume, nuclear quadrupolar coupling constants, and Sternheimer antishielding factors. The experimental findings are complemented by gauge-including projector-augmented wave (GIPAW) DFT calculations, which substantiate our experimentally determined strong dependence of the largest component of the bromine CS tensor, δ(11), on the shortest Br-P distance in the crystal structure, a finding that has possible application in the field of NMR crystallography. This trend is explained in terms of Ramsey's theory on paramagnetic shielding. Overall, this work demonstrates how careful NMR studies of underexploited exotic nuclides, such as (79/81)Br, can afford insights into structure and bonding environments in the solid state. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Negative thermal expansion and magnetoelastic coupling in the breathing pyrochlore lattice material LiGaCr 4 S 8

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pokharel, G.; May, A. F.; Parker, D. S.

In this paper, the physical properties of the spinel LiGaCr 4S 8 have been studied with neutron diffraction, x-ray diffraction, magnetic susceptibility, and heat capacity measurements. The neutron diffraction and synchrotron x-ray diffraction data reveal negative thermal expansion (NTE) below 111(4) K. The magnetic susceptibility deviates from Curie-Weiss behavior with the onset of NTE. At low temperature a broad peak in the magnetic susceptibility at 10.3(3) K is accompanied by the return of normal thermal expansion. First-principles calculations find a strong coupling between the lattice and the simulated magnetic ground state. Finally, these results indicate strong magnetoelastic coupling in LiGaCrmore » 4S 8.« less

Negative thermal expansion and magnetoelastic coupling in the breathing pyrochlore lattice material LiGaCr 4 S 8

DOE PAGES

Pokharel, G.; May, A. F.; Parker, D. S.; ...

2018-04-30

In this paper, the physical properties of the spinel LiGaCr 4S 8 have been studied with neutron diffraction, x-ray diffraction, magnetic susceptibility, and heat capacity measurements. The neutron diffraction and synchrotron x-ray diffraction data reveal negative thermal expansion (NTE) below 111(4) K. The magnetic susceptibility deviates from Curie-Weiss behavior with the onset of NTE. At low temperature a broad peak in the magnetic susceptibility at 10.3(3) K is accompanied by the return of normal thermal expansion. First-principles calculations find a strong coupling between the lattice and the simulated magnetic ground state. Finally, these results indicate strong magnetoelastic coupling in LiGaCrmore » 4S 8.« less

Methods of amorphization and investigation of the amorphous state.

PubMed

Einfal, Tomaž; Planinšek, Odon; Hrovat, Klemen

2013-09-01

The amorphous form of pharmaceutical materials represents the most energetic solid state of a material. It provides advantages in terms of dissolution rate and bioavailability. This review presents the methods of solid- -state amorphization described in literature (supercooling of liquids, milling, lyophilization, spray drying, dehydration of crystalline hydrates), with the emphasis on milling. Furthermore, we describe how amorphous state of pharmaceuticals differ depending on the method of preparation and how these differences can be screened by a variety of spectroscopic (X-ray powder diffraction, solid state nuclear magnetic resonance, atomic pairwise distribution, infrared spectroscopy, terahertz spectroscopy) and calorimetry methods.

Molecular structure studies of (1S,2S)-2-benzyl-2,3-dihydro-2-(1H-inden-2-yl)-1H-inden-1-ol

PubMed Central

Zhang, Tao; Paluch, Krzysztof; Scalabrino, Gaia; Frankish, Neil; Healy, Anne-Marie; Sheridan, Helen

2015-01-01

The single enantiomer (1S,2S)-2-benzyl-2,3-dihydro-2-(1H-inden-2-yl)-1H-inden-1-ol (2), has recently been synthesized and isolated from its corresponding diastereoisomer (1). The molecular and crystal structures of this novel compound have been fully analyzed. The relative and absolute configurations have been determined by using a combination of analytical tools including X-ray crystallography, X-ray Powder Diffraction (XRPD) analysis and Nuclear Magnetic Resonance (NMR) spectroscopy. PMID:25750458

Neutron and X-ray single-crystal diffraction from protein microcrystals via magnetically oriented microcrystal arrays in gels.

PubMed

Tsukui, Shu; Kimura, Fumiko; Kusaka, Katsuhiro; Baba, Seiki; Mizuno, Nobuhiro; Kimura, Tsunehisa

2016-07-01

Protein microcrystals magnetically aligned in D2O hydrogels were subjected to neutron diffraction measurements, and reflections were observed for the first time to a resolution of 3.4 Å from lysozyme microcrystals (∼10 × 10 × 50 µm). This result demonstrated the possibility that magnetically oriented microcrystals consolidated in D2O gels may provide a promising means to obtain single-crystal neutron diffraction from proteins that do not crystallize at the sizes required for neutron diffraction structure determination. In addition, lysozyme microcrystals aligned in H2O hydrogels allowed structure determination at a resolution of 1.76 Å at room temperature by X-ray diffraction. The use of gels has advantages since the microcrystals are measured under hydrated conditions.

X-ray diffraction study of the caged magnetic compound DyFe 2 Zn 20 at low temperatures

NASA Astrophysics Data System (ADS)

Ohashi, M.; Ohashi, K.; Sawabu, M.; Miyagawa, M.; Maeta, K.; Isikawa, Y.

2018-05-01

We have carried out high-angle X-ray powder diffraction measurements of the caged magnetic compound DyFe2Zn20 at low temperature between 14 and 300 K. Even though a strong magnetic anisotropy exists in the magnetization and magnetic susceptibility due to strong exchange interaction between Fe and Dy, almost all X-ray powder diffraction peaks correspond to Bragg reflections of the cubic structural models not only at room temperature paramagnetic state but also at low temperature magnetic ordering state. The Debye temperature is obtained to be 227 K from the results of the volumetric thermal expansion coefficient, which is approximately coincident with that of CeRu2Zn20 (245 K) and that of pure Zn metal (235 K).

Determination of atomic site susceptibility tensors from neutron diffraction data on polycrystalline samples.

PubMed

Gukasov, A; Brown, P J

2010-12-22

Polarized neutron diffraction can provide information about the atomic site susceptibility tensor χ(ij) characterizing the magnetic response of individual atoms to an external magnetic field (Gukasov and Brown 2002 J. Phys.: Condens. Mater. 14 8831). The six independent atomic susceptibility parameters (ASPs) can be determined from polarized neutron flipping ratio measurements on single crystals and visualized as magnetic ellipsoids which are analogous to the thermal ellipsoids obtained from atomic displacement parameters (ADPs). We demonstrate now that the information about local magnetic susceptibility at different magnetic sites in a crystal can also be obtained from polarized and unpolarized neutron diffraction measurements on magnetized powder samples. The validity of the method is illustrated by the results of such measurements on a polycrystalline sample of Tb(2)Sn(2)O(7).

Comparing results of X-ray diffraction, µ-Raman spectroscopy and neutron diffraction when identifying chemical phases in seized nuclear material, during a comparative nuclear forensics exercise

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rondahl, Stina Holmgren; Pointurier, Fabien; Ahlinder, Linnea

This work presents the results for identification of chemical phases obtained by several laboratories as a part of an international nuclear forensic round-robin exercise. In this work powder X-ray diffraction (p-XRD) is regarded as the reference technique. Neutron diffraction produced a superior high-angle diffraction pattern relative to p-XRD. Requiring only small amounts of sample, µ-Raman spectroscopy was used for the first time in this context as a potentially complementary technique to p-XRD. The chemical phases were identified as pure UO 2 in two materials, and as a mixture of UO 2, U 3O 8 and an intermediate species U 3Omore » 7 in the third material.« less

Comparing results of X-ray diffraction, µ-Raman spectroscopy and neutron diffraction when identifying chemical phases in seized nuclear material, during a comparative nuclear forensics exercise

DOE PAGES

Rondahl, Stina Holmgren; Pointurier, Fabien; Ahlinder, Linnea; ...

2018-01-24

This work presents the results for identification of chemical phases obtained by several laboratories as a part of an international nuclear forensic round-robin exercise. In this work powder X-ray diffraction (p-XRD) is regarded as the reference technique. Neutron diffraction produced a superior high-angle diffraction pattern relative to p-XRD. Requiring only small amounts of sample, µ-Raman spectroscopy was used for the first time in this context as a potentially complementary technique to p-XRD. The chemical phases were identified as pure UO 2 in two materials, and as a mixture of UO 2, U 3O 8 and an intermediate species U 3Omore » 7 in the third material.« less

Structure and magnetic properties of SiO{sub 2}/PCL novel sol–gel organic–inorganic hybrid materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Catauro, Michelina, E-mail: michelina.catauro@unina2.it; Bollino, Flavia; Cristina Mozzati, Maria

2013-07-15

Organic–inorganic nanocomposite materials have been synthesized via sol–gel. They consist of an inorganic SiO{sub 2} matrix, in which different percentages of poly(ε-caprolactone) (PCL) have been incorporated. The formation of H-bonds among the carbonyl groups of the polymer chains and Si–OH group of the inorganic matrix has been proved by means of Fourier transform infrared spectroscopy (FT-IR) analysis and has been confirmed by solid-state nuclear magnetic resonance (NMR). X-Ray diffraction (XRD) analysis highlighted the amorphous nature of the synthesized materials. Scanning electron microscope (SEM) micrograph and atomic force microscope (AFM) topography showed their homogeneous morphology and nanostructure nature. Considering the opportunitymore » to synthesize these hybrid materials under microgravity conditions by means of magnetic levitation, superconducting quantum interference device (SQUID) magnetometry has been used to quantify their magnetic susceptibility. This measure has shown that the SiO{sub 2}/PCL hybrid materials are diamagnetic and that their diamagnetic susceptibility is independent of temperature and increases with the PCL amount. - Graphical abstract: Characterization and magnetic properties of SiO{sub 2}/PCL organic–inorganic hybrid materials synthesized via sol–gel. FT-IR, Fourier transform infrared spectroscopy; solid-state NMR: solid-state nuclear magnetic resonance; SQUID: superconducting quantum interference device. - Highlights: • Sol–gel synthesis of SiO{sub 2}/PCL amorphous class I organic–inorganic hybrid materials. • FT-IR and NMR analyses show the hydrogen bonds formation between SiO{sub 2} and PCL. • AFM and SEM analyses confirm that the SiO{sub 2}/PCL are homogenous hybrid materials. • The SQUID measures show that the simples are diamagnetic. • Diamagnetic susceptibility of SiO{sub 2}/PCL materials increases with the PCL amount.« less

CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: The effect of substrate on magnetic properties of Co/Cu multilayer nanowire arrays

NASA Astrophysics Data System (ADS)

Ren, Yong; Wang, Jian-Bo; Liu, Qing-Fang; Han, Xiang-Hua; Xue, De-Sheng

2009-08-01

Ordered Co/Cu multilayer nanowire arrays have been fabricated into anodic aluminium oxide templates with Ag and Cu substrate by direct current electrodeposition. This paper studies the morphology, structure and magnetic properties by transmission electron microscopy, selective area electron diffraction, x-ray diffraction, and vibrating sample magnetometer. X-ray diffraction patterns reveal that both as-deposited nanowire arrays films exhibit face-centred cubic structure. Magnetic measurements indicate that the easy magnetization direction of Co/Cu multilayer nanowire arrays films on Ag substrate is perpendicular to the long axis of nanowire, whereas the easy magnetization direction of the sample with Cu substrate is parallel to the long axis of nanowire. The change of easy magnetization direction attributed to different substrates, and the magnetic properties of the nanowire arrays are discussed.

FAST TRACK COMMUNICATION Determination of atomic site susceptibility tensors from neutron diffraction data on polycrystalline samples

NASA Astrophysics Data System (ADS)

Gukasov, A.; Brown, P. J.

2010-12-01

Polarized neutron diffraction can provide information about the atomic site susceptibility tensor χij characterizing the magnetic response of individual atoms to an external magnetic field (Gukasov and Brown 2002 J. Phys.: Condens. Mater. 14 8831). The six independent atomic susceptibility parameters (ASPs) can be determined from polarized neutron flipping ratio measurements on single crystals and visualized as magnetic ellipsoids which are analogous to the thermal ellipsoids obtained from atomic displacement parameters (ADPs). We demonstrate now that the information about local magnetic susceptibility at different magnetic sites in a crystal can also be obtained from polarized and unpolarized neutron diffraction measurements on magnetized powder samples. The validity of the method is illustrated by the results of such measurements on a polycrystalline sample of Tb2Sn2O7.

High resolution neutron Larmor diffraction using superconducting magnetic Wollaston prisms

DOE PAGES

Li, Fankang; Feng, Hao; Thaler, Alexander N.; ...

2017-04-13

The neutron Larmor diffraction technique has been implemented using superconducting magnetic Wollaston prisms in both single-arm and double-arm configurations. Successful measurements of the coefficient of thermal expansion of a single-crystal copper sample demonstrates that the method works as expected. Our experiment involves a new method of tuning by varying the magnetic field configurations in the device and the tuning results agree well with previous measurements. The difference between single-arm and double-arm configurations has been investigated experimentally. Here, we conclude that this measurement benchmarks the applications of magnetic Wollaston prisms in Larmor diffraction and shows in principle that the setup canmore » be used for inelastic phonon line-width measurements. The achievable resolution for Larmor diffraction is comparable to that using Neutron Resonance Spin Echo (NRSE) coils. Furthermore, the use of superconducting materials in the prisms allows high neutron polarization and transmission efficiency to be achieved.« less

Synthesis of biocompatible poly(ɛ-caprolactone)- block-poly(propylene adipate) copolymers appropriate for drug nanoencapsulation in the form of core-shell nanoparticles

PubMed Central

Nanaki, Stavroula G; Pantopoulos, Kostas; Bikiaris, Dimitrios N

2011-01-01

Poly(propylene adipate)-block-poly(ɛ-caprolactone) copolymers were synthesized using a combination of polycondensation and ring-opening polymerization of ɛ-caprolactone in the presence of poly(propylene adipate). Gel permeation chromatography was used for molecular weight determination, whereas hydrogen-1 nuclear magnetic resonance and carbon-13 nuclear magnetic resonance spectroscopy were employed for copolymer characterization and composition evaluation. The copolymers were found to be block while their composition was similar to the feeding ratio. They formed semicrystalline structures, while only poly(ɛ-caprolactone) formed crystals, as shown by wide angle X-ray diffraction. Differential scanning calorimetry data suggest that the melting point and heat of fusion of copolymers decreased by increasing the poly(propylene adipate) amount. The synthesized polymers exhibited low cytotoxicity and were used to encapsulate desferrioxamine, an iron-chelating drug. The desferrioxamine nanoparticles were self-assembled into core shell structures, had mean particle size <250 nm, and the drug remained in crystalline form. Further studies revealed that the dissolution rate was mainly related to the melting temperature, as well as to the degree of crystallinity of copolymers. PMID:22162656

Synthesis of biocompatible poly(ɛ-caprolactone)- block-poly(propylene adipate) copolymers appropriate for drug nanoencapsulation in the form of core-shell nanoparticles.

PubMed

Nanaki, Stavroula G; Pantopoulos, Kostas; Bikiaris, Dimitrios N

2011-01-01

Poly(propylene adipate)-block-poly(ɛ-caprolactone) copolymers were synthesized using a combination of polycondensation and ring-opening polymerization of ɛ-caprolactone in the presence of poly(propylene adipate). Gel permeation chromatography was used for molecular weight determination, whereas hydrogen-1 nuclear magnetic resonance and carbon-13 nuclear magnetic resonance spectroscopy were employed for copolymer characterization and composition evaluation. The copolymers were found to be block while their composition was similar to the feeding ratio. They formed semicrystalline structures, while only poly(ɛ-caprolactone) formed crystals, as shown by wide angle X-ray diffraction. Differential scanning calorimetry data suggest that the melting point and heat of fusion of copolymers decreased by increasing the poly(propylene adipate) amount. The synthesized polymers exhibited low cytotoxicity and were used to encapsulate desferrioxamine, an iron-chelating drug. The desferrioxamine nanoparticles were self-assembled into core shell structures, had mean particle size <250 nm, and the drug remained in crystalline form. Further studies revealed that the dissolution rate was mainly related to the melting temperature, as well as to the degree of crystallinity of copolymers.

Testing the limits of sensitivity in a solid-state structural investigation by combined X-ray powder diffraction, solid-state NMR, and molecular modelling.

PubMed

Filip, Xenia; Borodi, Gheorghe; Filip, Claudiu

2011-10-28

A solid state structural investigation of ethoxzolamide is performed on microcrystalline powder by using a multi-technique approach that combines X-ray powder diffraction (XRPD) data analysis based on direct space methods with information from (13)C((15)N) solid-state Nuclear Magnetic Resonance (SS-NMR) and molecular modeling. Quantum chemical computations of the crystal were employed for geometry optimization and chemical shift calculations based on the Gauge Including Projector Augmented-Wave (GIPAW) method, whereas a systematic search in the conformational space was performed on the isolated molecule using a molecular mechanics (MM) approach. The applied methodology proved useful for: (i) removing ambiguities in the XRPD crystal structure determination process and further refining the derived structure solutions, and (ii) getting important insights into the relationship between the complex network of non-covalent interactions and the induced supra-molecular architectures/crystal packing patterns. It was found that ethoxzolamide provides an ideal case study for testing the accuracy with which this methodology allows to distinguish between various structural features emerging from the analysis of the powder diffraction data. This journal is © the Owner Societies 2011

Crystal-Site-Selective Spectrum of Fe3BO6 by Synchrotron Mössbauer Diffraction with Pure Nuclear Bragg Scattering

NASA Astrophysics Data System (ADS)

Nakamura, Shin; Mitsui, Takaya; Fujiwara, Kosuke; Ikeda, Naoshi; Kurokuzu, Masayuki; Shimomura, Susumu

2017-08-01

We have succeeded in obtaining the crystal-site-selective spectra of the collinear antiferromagnet Fe3BO6 using a synchrotron Mössbauer diffractometer with pure nuclear Bragg scattering at SPring-8 BL11XU. Well-resolved 300, 500, and 700 reflection spectra, having asymmetric line shapes owing to the higher-order interference effect between the nuclear energy levels, were quantitatively analyzed using a formula based on the dynamical theory of diffraction. Reasonable hyperfine parameters were obtained. The intensity ratio of Fe1 to Fe2 subspectra is in accordance with the nuclear structure factor. However, when the spectrum is measured at the peak position of the rocking curve (very near the Bragg position), the value of the center shift deviates from its intrinsic value. This is also due to the dynamical effect of γ-ray diffraction. To avoid this problem, it is necessary to use diffraction angles near the foot of the rocking curve, approximately 0.02° apart from the peak position.

The early development of neutron diffraction: science in the wings of the Manhattan Project

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mason, T. E., E-mail: masont@ornl.gov; Gawne, T. J.; Nagler, S. E.

2013-01-01

Early neutron diffraction experiments performed in 1944 using the first nuclear reactors are described. Although neutron diffraction was first observed using radioactive decay sources shortly after the discovery of the neutron, it was only with the availability of higher intensity neutron beams from the first nuclear reactors, constructed as part of the Manhattan Project, that systematic investigation of Bragg scattering became possible. Remarkably, at a time when the war effort was singularly focused on the development of the atomic bomb, groups working at Oak Ridge and Chicago carried out key measurements and recognized the future utility of neutron diffraction quitemore » independent of its contributions to the measurement of nuclear cross sections. Ernest O. Wollan, Lyle B. Borst and Walter H. Zinn were all able to observe neutron diffraction in 1944 using the X-10 graphite reactor and the CP-3 heavy water reactor. Subsequent work by Wollan and Clifford G. Shull, who joined Wollan’s group at Oak Ridge in 1946, laid the foundations for widespread application of neutron diffraction as an important research tool.« less

Pestalpolyols A-D, Cytotoxic Polyketides from Pestalotiopsis sp. cr013.

PubMed

Li, Jing; Xie, Jin; Yang, Yin-He; Li, Xiao-Lian; Zeng, Ying; Zhao, Pei-Ji

2015-09-01

Four novel polyketides, named pestalpolyols A (1), B (2), C (3), and D (4), were isolated from solid fermentation products of Pestalotiopsis sp. cr013. Their structures were elucidated by extensive spectroscopic methods, including 1D and 2D nuclear magnetic resonance and high-resolution electrospray ionization mass spectrometry experiments, and the absolute configuration was confirmed by single-crystal X-ray diffraction analysis using the anomalous scattering of Cu Kα radiation. The inhibitory activities of compounds 1, 2, and 4 against five human tumor lines were tested in vitro, and showed IC50 values 2.3-31.2 µM. Georg Thieme Verlag KG Stuttgart · New York.

Synthesis, crystal growth, structural, thermal and optical properties of naphthalene picrate an organic NLO material.

PubMed

Chandramohan, A; Bharathikannan, R; Kandavelu, V; Chandrasekaran, J; Kandhaswamy, M A

2008-12-01

Crystalline substance of naphthalene picrate (NP) was synthesized and single crystals were grown using slow evaporation solution growth technique. The solubility of the naphthalene picrate complex was estimated using different solvents such as chloroform and benzene. The material was characterized by elemental analysis, powder X-ray diffraction (XRD), nuclear magnetic resonance (NMR) and fourier transform-infrared (FT-IR) techniques. The electronic absorption was studied through UV-vis spectrophotometer. Thermal behavior and stability of the crystal were studied using thermogravimetric (TG) and differential thermal analysis (DTA) techniques. The second harmonic generation (SHG) of the material was confirmed using Nd:YAG laser.

JLab Measurements of the He 3 Form Factors at Large Momentum Transfers

DOE PAGES

Camsonne, A.; Katramatou, A. T.; Olson, M.; ...

2017-10-19

The charge and magnetic form factors, F C and F M, respectively, of 3He are extracted in the kinematic range 25 fm –2 ≤ Q 2 ≤ 61 fm –2 from elastic electron scattering by detecting 3He recoil nuclei and scattered electrons in coincidence with the two High Resolution Spectrometers of the Hall A Facility at Jefferson Lab. The measurements find evidence for the existence of a second diffraction minimum for the magnetic form factor at Q 2 = 49.3 fm –2 and for the charge form factor at Q 2 = 62.0 fm –2. Both minima are predicted tomore » exist in the Q 2 range accessible by this Jefferson Lab experiment. Here, the data are in qualitative agreement with theoretical calculations based on realistic interactions and accurate methods to solve the three-body nuclear problem.« less

JLab Measurements of the He 3 Form Factors at Large Momentum Transfers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Camsonne, A.; Katramatou, A. T.; Olson, M.

The charge and magnetic form factors, F C and F M, respectively, of 3He are extracted in the kinematic range 25 fm –2 ≤ Q 2 ≤ 61 fm –2 from elastic electron scattering by detecting 3He recoil nuclei and scattered electrons in coincidence with the two High Resolution Spectrometers of the Hall A Facility at Jefferson Lab. The measurements find evidence for the existence of a second diffraction minimum for the magnetic form factor at Q 2 = 49.3 fm –2 and for the charge form factor at Q 2 = 62.0 fm –2. Both minima are predicted tomore » exist in the Q 2 range accessible by this Jefferson Lab experiment. Here, the data are in qualitative agreement with theoretical calculations based on realistic interactions and accurate methods to solve the three-body nuclear problem.« less

Spacer layer thickness dependent structural and magnetic properties of Co/Si multilayers

NASA Astrophysics Data System (ADS)

Roy, Ranjan; Singh, Dushyant; Kumar, M. Senthil

2018-05-01

In this article, the study of high resolution x-ray diffraction and magnetization of sputter deposited Co/Si multilayer is reported. Multilayers are prepared at ambient temperature by dc magnetron sputtering. Structural properties are studied by high resolution x-ray diffraction. Magnetic properties are studied at room temperature by vibrating sample magnetometer. Structural properties show that the Co layer is polycrystalline and the Si layer is amorphous. The magnetization study indicates that the samples are soft ferromagnetic in nature. The study of magnetization also shows that the easy axis of magnetization lies in the plane of the film.

Influence of neutron irradiation on the microstructure of nuclear graphite: An X-ray diffraction study

NASA Astrophysics Data System (ADS)

Zhou, Z.; Bouwman, W. G.; Schut, H.; van Staveren, T. O.; Heijna, M. C. R.; Pappas, C.

2017-04-01

Neutron irradiation effects on the microstructure of nuclear graphite have been investigated by X-ray diffraction on virgin and low doses (∼ 1.3 and ∼ 2.2 dpa), high temperature (750° C) irradiated samples. The diffraction patterns were interpreted using a model, which takes into account the turbostratic disorder. Besides the lattice constants, the model introduces two distinct coherent lengths in the c-axis and the basal plane, that characterise the volumes from which X-rays are scattered coherently. The methodology used in this work allows to quantify the effect of irradiation damage on the microstructure of nuclear graphite seen by X-ray diffraction. The results show that the changes of the deduced structural parameters are in agreement with previous observations from electron microscopy, but not directly related to macroscopic changes.

A general way for quantitative magnetic measurement by transmitted electrons

NASA Astrophysics Data System (ADS)

Song, Dongsheng; Li, Gen; Cai, Jianwang; Zhu, Jing

2016-01-01

EMCD (electron magnetic circular dichroism) technique opens a new door to explore magnetic properties by transmitted electrons. The recently developed site-specific EMCD technique makes it possible to obtain rich magnetic information from the Fe atoms sited at nonequivalent crystallographic planes in NiFe2O4, however it is based on a critical demand for the crystallographic structure of the testing sample. Here, we have further improved and tested the method for quantitative site-specific magnetic measurement applicable for more complex crystallographic structure by using the effective dynamical diffraction effects (general routine for selecting proper diffraction conditions, making use of the asymmetry of dynamical diffraction for design of experimental geometry and quantitative measurement, etc), and taken yttrium iron garnet (Y3Fe5O12, YIG) with more complex crystallographic structure as an example to demonstrate its applicability. As a result, the intrinsic magnetic circular dichroism signals, spin and orbital magnetic moment of iron with site-specific are quantitatively determined. The method will further promote the development of quantitative magnetic measurement with high spatial resolution by transmitted electrons.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nakamura, Yuichi, E-mail: nakamura@ee.tut.ac.jp; Takagi, Hiroyuki; Lim, Pang Boey

A holographic memory has been attracting attention as recording media with high recording density and high data transfer rate. We have studied the magnetic garnets as a rewritable and long life media for magnetic holography. However, since the signal intensity of reconstructed image was relatively low, the effects of recording conditions on the diffraction efficiency of magnetic hologram were investigated with experiments and the numerical simulation using COMSOL multi-physics. The diffraction efficiency tends to decrease as increasing the spatial frequency, and the use of short pulse laser with the pulse width of 50 ps was found to be effective tomore » achieve high diffraction efficiency. This suggests that the formation of clear magnetic fringe similar to interference pattern can be obtained by the use of short pulse laser since undesirable heat diffusion during radiation does not occur. On the other hand, the diffraction efficiency increased as increasing the film thickness up to 3.1 μm but was saturated in the garnet film thicker than 3.1 μm in the case of spatial frequency of 1500 line pair/mm. The numerical simulation showed that the effective depth of magnetic fringe was limited about 1.8 μm irrespective of the garnet film thickness because the fringes were connected by thermal diffusion near the surface of the film, and the effective depth is limited due to this connection of the magnetic fringe. Avoiding this fringe connection, much higher diffraction efficiency will be achieved.« less

Single-spin stochastic optical reconstruction microscopy

PubMed Central

Pfender, Matthias; Aslam, Nabeel; Waldherr, Gerald; Neumann, Philipp; Wrachtrup, Jörg

2014-01-01

We experimentally demonstrate precision addressing of single-quantum emitters by combined optical microscopy and spin resonance techniques. To this end, we use nitrogen vacancy (NV) color centers in diamond confined within a few ten nanometers as individually resolvable quantum systems. By developing a stochastic optical reconstruction microscopy (STORM) technique for NV centers, we are able to simultaneously perform sub–diffraction-limit imaging and optically detected spin resonance (ODMR) measurements on NV spins. This allows the assignment of spin resonance spectra to individual NV center locations with nanometer-scale resolution and thus further improves spatial discrimination. For example, we resolved formerly indistinguishable emitters by their spectra. Furthermore, ODMR spectra contain metrology information allowing for sub–diffraction-limit sensing of, for instance, magnetic or electric fields with inherently parallel data acquisition. As an example, we have detected nuclear spins with nanometer-scale precision. Finally, we give prospects of how this technique can evolve into a fully parallel quantum sensor for nanometer resolution imaging of delocalized quantum correlations. PMID:25267655

A uniform GTD analysis of the EM diffraction by a thin dielectric/ferrite half-plane and related configurations

NASA Technical Reports Server (NTRS)

Rojas, Roberto G.

1985-01-01

A uniform geometrical theory of diffraction (UTD) solution is developed for the problem of the diffraction by a thin dielectric/ferrite half plane when it is excited by a plane, cylindrical, or surface wave field. Both transverse electric and transverse magnetic cases are considered. The solution of this problem is synthesized from the solutions to the related problems of EM diffraction by configurations involving perfectly conducting electric and magnetic walls covered by a dielectric/ferrite half-plane of one half the thickness of the original half-plane.

Magnetic and neutron diffraction study on quaternary oxides MTeMoO6 (M = Mn and Zn)

NASA Astrophysics Data System (ADS)

Doi, Yoshihiro; Suzuki, Ryo; Hinatsu, Yukio; Ohoyama, Kenji

2009-01-01

Crystal structures and magnetic properties of quaternary oxides MTeMoO6 (M = Mn and Zn) were investigated. From the Rietveld analyses for the powder x-ray and neutron diffraction measurements, their detailed structures have been determined. Both compounds have orthorhombic structure with space group P 21212 and a charge configuration of M2+Te4+Mo6+O6. ZnTeMoO6 shows diamagnetic behavior. In this structure, M ions are arranged in a square-planar manner. The temperature dependence of the magnetic susceptibility for MnTeMoO6 shows a broad peak at ~33 K, which is due to a two-dimensional characteristic of the magnetic interaction. In addition, this compound shows an antiferromagnetic transition at 20 K. The magnetic structure was determined by the powder neutron diffraction measurement at 3.3 K. The magnetic moments of Mn2+ ions (4.45 μB) order in a collinear antiferromagnetic arrangement along the b axis.

Crystal structure and partial Ising-like magnetic ordering of orthorhombic D y 2 Ti O 5

DOE PAGES

Shamblin, Jacob; Calder, Stuart; Dun, Zhiling; ...

2016-07-12

The structure and magnetic properties of orthorhombic Dy 2TiO 5 have been investigated using x-ray diffraction, neutron diffraction, and alternating current (ac)/direct current (dc) magnetic susceptibility measurements. In this paper, we report a continuous structural distortion below 100 K characterized by negative thermal expansion in the [0 1 0] direction. Neutron diffraction and magnetic susceptibility measurements revealed that two-dimensional (2D) magnetic ordering begins at 3.1 K, which is followed by a three-dimensional magnetic transition at 1.7 K. The magnetic structure has been solved through a representational analysis approach and can be indexed with the propagation vector k = [0 1/2more » 0]. The spin structure corresponds to a coplanar model of interwoven 2D “sheets” extending in the [0 1 0] direction. The local crystal field is different for each Dy 3+ ion (Dy1 and Dy2), one of which possesses strong uniaxial symmetry indicative of Ising-like magnetic ordering. In conclusion, consequently, two succeeding transitions under magnetic field are observed in the ac susceptibility, which are associated with flipping each Dy 3+ spin independently.« less

Neutron diffraction, specific heat and magnetization studies on Nd{sub 2}CuTiO{sub 6}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rayaprol, S., E-mail: sudhindra@csr.res.in; Kaushik, S. D.; Kumar, Naresh

2016-05-23

Structural and physical properties of a double-perovskite compound, Nd{sub 2}CuTiO{sub 6} have been studied using neutron diffraction, magnetization and specific heat measurements. The compound crystallizes in an orthorhombic structure in space group Pnma. The interesting observation we make here is that, though no long range magnetic order is observed between 2 and 300 K, the low temperature specific heat and magnetic susceptibility behavior exhibits non-Fermi liquid like behavior in this insulating compound. The magnetization and specific heat data are presented and discussed in light of these observations.

Determination of Membrane Protein Structure by Rotational Resonance NMR: Bacteriorhodopsin

NASA Astrophysics Data System (ADS)

Creuzet, F.; McDermott, A.; Gebhard, R.; van der Hoef, K.; Spijker-Assink, M. B.; Herzfeld, J.; Lugtenburg, J.; Levitt, M. H.; Griffin, R. G.

1991-02-01

Rotationally resonant magnetization exchange, a new nuclear magnetic resonance (NMR) technique for measuring internuclear distances between like spins in solids, was used to determine the distance between the C-8 and C-18 carbons of retinal in two model compounds and in the membrane protein bacteriorhodopsin. Magnetization transfer between inequivalent spins with an isotropic shift separation, δ, is driven by magic angle spinning at a speed ω_r that matches the rotational resonance condition δ = nω_r, where n is a small integer. The distances measured in this way for both the 6-s-cis- and 6-s-trans-retinoic acid model compounds agreed well with crystallographically known distances. In bacteriorhodopsin the exchange trajectory between C-8 and C-18 was in good agreement with the internuclear distance for a 6-s-trans configuration [4.2 angstroms (overset{circ}{mathrm A})] and inconsistent with that for a 6-s-cis configuration (3.1 overset{circ}{mathrm A}). The results illustrate that rotational resonance can be used for structural studies in membrane proteins and in other situations where diffraction and solution NMR techniques yield limited information.

Magnetic topology of Co-based inverse opal-like structures

NASA Astrophysics Data System (ADS)

Grigoryeva, N. A.; Mistonov, A. A.; Napolskii, K. S.; Sapoletova, N. A.; Eliseev, A. A.; Bouwman, W.; Byelov, D. V.; Petukhov, A. V.; Chernyshov, D. Yu.; Eckerlebe, H.; Vasilieva, A. V.; Grigoriev, S. V.

2011-08-01

The magnetic and structural properties of a cobalt inverse opal-like crystal have been studied by a combination of complementary techniques ranging from polarized neutron scattering and superconducting quantum interference device (SQUID) magnetometry to x-ray diffraction. Microradian small-angle x-ray diffraction shows that the inverse opal-like structure (OLS) synthesized by the electrochemical method fully duplicates the three-dimensional net of voids of the template artificial opal. The inverse OLS has a face-centered cubic (fcc) structure with a lattice constant of 640±10 nm and with a clear tendency to a random hexagonal close-packed structure along the [111] axes. Wide-angle x-ray powder diffraction shows that the atomic cobalt structure is described by coexistence of 95% hexagonal close-packed and 5% fcc phases. The SQUID measurements demonstrate that the inverse OLS film possesses easy-plane magnetization geometry with a coercive field of 14.0 ± 0.5 mT at room temperature. The detailed picture of the transformation of the magnetic structure under an in-plane applied field was detected with the help of small-angle diffraction of polarized neutrons. In the demagnetized state the magnetic system consists of randomly oriented magnetic domains. A complex magnetic structure appears upon application of the magnetic field, with nonhomogeneous distribution of magnetization density within the unit element of the OLS. This distribution is determined by the combined effect of the easy-plane geometry of the film and the crystallographic geometry of the opal-like structure with respect to the applied field direction.

Magnetic behaviour of synthetic Co(2)SiO(4).

PubMed

Sazonov, Andrew; Meven, Martin; Hutanu, Vladimir; Heger, Gernot; Hansen, Thomas; Gukasov, Arsen

2009-12-01

Synthetic Co(2)SiO(4) crystallizes in the olivine structure (space group Pnma) with two crystallographically non-equivalent Co positions and shows antiferromagnetic ordering below 50 K. We have investigated the temperature variation of the Co(2)SiO(4) magnetic structure by means of non-polarized and polarized neutron diffraction for single crystals. Measurements with non-polarized neutrons were made at 2.5 K (below T(N)), whereas polarized neutron diffraction experiments were carried out at 70 and 150 K (above T(N)) in an external magnetic field of 7 T parallel to the b axis. Additional accurate non-polarized powder diffraction studies were performed in a broad temperature range from 5 to 500 K with small temperature increments. Detailed symmetry analysis of the Co(2)SiO(4) magnetic structure shows that it corresponds to the magnetic (Shubnikov) group Pnma, which allows the antiferromagnetic configuration (G(x), C(y), A(z)) for the 4a site with inversion symmetry 1 (Co1 position) and (0,C(y),0) for the 4c site with mirror symmetry m (Co2 position). The temperature dependence of the Co1 and Co2 magnetic moments obtained from neutron diffraction experiments was fitted in a modified molecular-field model. The polarized neutron study of the magnetization induced by an applied field shows a non-negligible amount of magnetic moment on the oxygen positions, indicating a delocalization of the magnetic moment from Co towards neighbouring O owing to superexchange coupling. The relative strength of the exchange interactions is discussed based on the non-polarized and polarized neutron data.

Low Temperature Magnetic Ordering of the Magnetic Ionic Plastic Crystal, Choline[FeCl4

NASA Astrophysics Data System (ADS)

de Pedro, I.; García-Saiz, A.; Andreica, D.; Fernández Barquín, L.; Fernández-Díaz, M. T.; Blanco, J. A.; Amato, A.; Rodríguez Fernández, J.

2015-11-01

We report on the nature of the low temperature magnetic ordering of a magnetic ionic plastic crystal, Choline[FeCl4]. This investigation was carried out using heat capacity measurements, neutron diffraction experiments and muon spin relaxation (μSR) spectroscopy. The calorimetric measurements show the onset of an unusual magnetic ordering below 4 K with a possible second magnetic phase transition below 2 K. Low temperature neutron diffraction data reveal a three dimensional antiferromagnetic ordering at 2 K compatible with the previous magnetometry results. The analysis of μSR spectra indicates a magnetic phase transition below 2.2 K. At 1.6 K, the analysis of the shape of the μSR spectra suggests the existence of an additional magnetic phase with features of a possible incommensurate magnetic structure.

{sup 45}Sc Solid State NMR studies of the silicides ScTSi (T=Co, Ni, Cu, Ru, Rh, Pd, Ir, Pt)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Harmening, Thomas; Eckert, Hellmut, E-mail: eckerth@uni-muenster.de; Fehse, Constanze M.

The silicides ScTSi (T=Fe, Co, Ni, Cu, Ru, Rh, Pd, Ir, Pt) were synthesized by arc-melting and characterized by X-ray powder diffraction. The structures of ScCoSi, ScRuSi, ScPdSi, and ScIrSi were refined from single crystal diffractometer data. These silicides crystallize with the TiNiSi type, space group Pnma. No systematic influences of the {sup 45}Sc isotropic magnetic shift and nuclear electric quadrupolar coupling parameters on various structural distortion parameters calculated from the crystal structure data can be detected. {sup 45}Sc MAS-NMR data suggest systematic trends in the local electronic structure probed by the scandium atoms: both the electric field gradients andmore » the isotropic magnetic shifts relative to a 0.2 M aqueous Sc(NO{sub 3}){sub 3} solution decrease with increasing valence electron concentration and within each T group the isotropic magnetic shift decreases monotonically with increasing atomic number. The {sup 45}Sc nuclear electric quadrupolar coupling constants are generally well reproduced by quantum mechanical electric field gradient calculations using the WIEN2k code. Highlights: Black-Right-Pointing-Pointer Arc-melting synthesis of silicides ScTSi. Black-Right-Pointing-Pointer Single crystal X-ray data of ScCoSi, ScRuSi, ScPdSi, and ScIrSi. Black-Right-Pointing-Pointer {sup 45}Sc solid state NMR of silicides ScTSi.« less

The structural and magnetic phase transitions in a ``parent'' Fe pnictide compound

NASA Astrophysics Data System (ADS)

Ni, Ni; Allred, Jared; Cao, Huibo; Tian, Wei; Liu, Lian; Cho, Kyuil; Krogstad, Matthew; Ma, Jie; Taddei, Keith; Tanatar, Makariy; Prozorov, Ruslan; Matsuda, Masaaki; Rosenkranz, Stephan; Uemura, Yasutomo; Jiang, Shan

2015-03-01

We will present transport, thermodynamic, synchrotron X-ray, neutron diffraction, μSR, ARPES and polarized optical image measurements on the ``parent'' compound of the 112 high Tc superconducting Fe pnictide family. Structural and magnetic phase transitions are revealed. Detailed magnetic structure was solved by single crystal neutron diffraction. We will discuss the similarity and difference of these transitions comparing to the parent compounds of other Fe pnictide superconductors.

Current sensing using bismuth rare-earth iron garnet films

NASA Astrophysics Data System (ADS)

Ko, Michael; Garmire, Elsa

1995-04-01

Ferrimagnetic iron garnet films are investigated as current-sensing elements. The Faraday effect within the films permits measurement of the magnetic field or current by a simple polarimetric technique. Polarized diffraction patterns from the films have been observed that arise from the presence of magnetic domains in the films. A physical model for the diffraction is discussed, and results from a mathematical analysis are in good agreement with the experimental observations. A method of current sensing that uses this polarized diffraction is demonstrated.

Determination of magnetic domain state of carbon coated iron nanoparticles via 57Fe zero-external-field NMR

NASA Astrophysics Data System (ADS)

Manjunatha, M.; Kumar, Rajeev; Sahoo, Balaram; Damle, Ramakrishna; Ramesh, K. P.

2018-05-01

The magnetic domain state of carbon coated iron nanopowder (Fe@C) was studied by the internal field nuclear magnetic resonance (IFNMR) at 77 K using the spin echo technique. The structure and magnetic properties of the sample were further characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), Mössbauer spectroscopy, vibrating sample magnetometry (VSM), thermogravimetric analysis (TGA) and Raman Spectroscopy. The obtained IFNMR results of Fe@C powder were compared with that of micron sized carbonyl iron (CI) and electrolytic iron (EI) powders. The calculated critical size of the single domain iron particles in Fe@C is ∼ 16 nm. A higher enhancement in echo amplitude was observed due to better response of the domain walls of multidomain particles in comparison to the single domain particles. The echo signal of CI and EI particles exhibit a single narrow intense peak corresponding to the domain walls, whereas Fe@C exhibits two low amplitude peaks at two different frequencies: a low frequency (46.6 MHz) peak corresponds to the response of the domain walls of the multidomain particles and the other high frequency (47.2 MHz) signal (a shoulder) corresponding to the response of the magnetic nuclei inside the domain. Our results help in determining the domain state of iron-based magnetic particles using 57Fe-IFNMR.

40-Tesla pulsed-field cryomagnet for single crystal neutron diffraction

NASA Astrophysics Data System (ADS)

Duc, F.; Tonon, X.; Billette, J.; Rollet, B.; Knafo, W.; Bourdarot, F.; Béard, J.; Mantegazza, F.; Longuet, B.; Lorenzo, J. E.; Lelièvre-Berna, E.; Frings, P.; Regnault, L.-P.

2018-05-01

We present the first long-duration and high duty cycle 40-T pulsed-field cryomagnet addressed to single crystal neutron diffraction experiments at temperatures down to 2 K. The magnet produces a horizontal field in a bi-conical geometry, ±15° and ±30° upstream and downstream of the sample, respectively. Using a 1.15 MJ mobile generator, magnetic field pulses of 100 ms length are generated in the magnet, with a rise time of 23 ms and a repetition rate of 6-7 pulses per hour at 40 T. The setup was validated for neutron diffraction on the CEA-CRG three-axis spectrometer IN22 at the Institut Laue Langevin.

Energy-dispersive neutron imaging and diffraction of magnetically driven twins in a Ni2MnGa single crystal magnetic shape memory alloy

NASA Astrophysics Data System (ADS)

Kabra, Saurabh; Kelleher, Joe; Kockelmann, Winfried; Gutmann, Matthias; Tremsin, Anton

2016-09-01

Single crystals of a partially twinned magnetic shape memory alloy, Ni2MnGa, were imaged using neutron diffraction and energy-resolved imaging techniques at the ISIS spallation neutron source. Single crystal neutron diffraction showed that the crystal produces two twin variants with a specific crystallographic relationship. Transmission images were captured using a time of flight MCP/Timepix neutron counting detector. The twinned and untwinned regions were clearly distinguishable in images corresponding to narrow-energy transmission images. Further, the spatially-resolved transmission spectra were used to elucidate the orientations of the crystallites in the different volumes of the crystal.

Errors in the Calculation of 27Al Nuclear Magnetic Resonance Chemical Shifts

PubMed Central

Wang, Xianlong; Wang, Chengfei; Zhao, Hui

2012-01-01

Computational chemistry is an important tool for signal assignment of 27Al nuclear magnetic resonance spectra in order to elucidate the species of aluminum(III) in aqueous solutions. The accuracy of the popular theoretical models for computing the 27Al chemical shifts was evaluated by comparing the calculated and experimental chemical shifts in more than one hundred aluminum(III) complexes. In order to differentiate the error due to the chemical shielding tensor calculation from that due to the inadequacy of the molecular geometry prediction, single-crystal X-ray diffraction determined structures were used to build the isolated molecule models for calculating the chemical shifts. The results were compared with those obtained using the calculated geometries at the B3LYP/6-31G(d) level. The isotropic chemical shielding constants computed at different levels have strong linear correlations even though the absolute values differ in tens of ppm. The root-mean-square difference between the experimental chemical shifts and the calculated values is approximately 5 ppm for the calculations based on the X-ray structures, but more than 10 ppm for the calculations based on the computed geometries. The result indicates that the popular theoretical models are adequate in calculating the chemical shifts while an accurate molecular geometry is more critical. PMID:23203134

DOE Office of Scientific and Technical Information (OSTI.GOV)

Winterrose, M.; Lucas, M; Yue, A

Synchrotron x-ray diffraction (XRD) measurements, nuclear forward scattering (NFS) measurements, and density functional theory (DFT) calculations were performed on L12-ordered Pd3Fe. Measurements were performed at 300 K at pressures up to 33 GPa, and at 7 GPa at temperatures up to 650 K. The NFS revealed a collapse of the 57Fe magnetic moment between 8.9 and 12.3 GPa at 300 K, coinciding with a transition in bulk modulus found by XRD. Heating the sample under a pressure of 7 GPa showed negligible thermal expansion from 300 to 523 K, demonstrating Invar behavior. Zero-temperature DFT calculations identified a ferromagnetic ground statemore » and showed several antiferromagnetic states had comparable energies at pressures above 20 GPa.« less

Influence of boiling point range of feedstock on properties of derived mesophase pitch

NASA Astrophysics Data System (ADS)

Yu, Ran; Liu, Dong; Lou, Bin; Chen, Qingtai; Zhang, Yadong; Li, Zhiheng

2018-06-01

The composition of raw material was optimized by vacuum distillation. The carbonization behavior of two kinds of raw material was followed by polarizing microscope, softening point, carbon yield and solubility. Two kinds of mesophase pitch have been monitored by X-ray diffraction (XRD), Fourier transform infrared spectrometer (FTIR), elemental analysis and 1H nuclear magnetic resonance (1H-NMR). The analysis results suggested that raw material B (15wt% of A was distillated out and the residue named B) could form large domain mesophase pitch earlier. The shortened heat treat time favored the retaining of alkyl group in mesophase pitch and reduced the softening point of masophase pitch.

Dependence of magnetic permeability on residual stresses in alloyed steels

NASA Astrophysics Data System (ADS)

Hristoforou, E.; Ktena, A.; Vourna, P.; Argiris, K.

2018-04-01

A method for the monitoring of residual stress distribution in steels has been developed based on non-destructive surface magnetic permeability measurements. In order to investigate the potential utilization of the magnetic method in evaluating residual stresses, the magnetic calibration curves of various ferromagnetic alloyed steels' grade (AISI 4140, TRIP and Duplex) were examined. X-Ray diffraction technique was used for determining surface residual stress values. The overall measurement results have shown that the residual stress determined by the magnetic method was in good agreement with the diffraction results. Further experimental investigations are required to validate the preliminary results and to verify the presence of a unique normalized magnetic stress calibration curve.

Room-temperature in situ nuclear spin hyperpolarization from optically pumped nitrogen vacancy centres in diamond

DOE PAGES

King, Jonathan P.; Jeong, Keunhong; Vassiliou, Christophoros C.; ...

2015-12-07

Low detection sensitivity stemming from the weak polarization of nuclear spins is a primary limitation of magnetic resonance spectroscopy and imaging. Methods have been developed to enhance nuclear spin polarization but they typically require high magnetic fields, cryogenic temperatures or sample transfer between magnets. Here we report bulk, room-temperature hyperpolarization of 13C nuclear spins observed via high-field magnetic resonance. The technique harnesses the high optically induced spin polarization of diamond nitrogen vacancy centres at room temperature in combination with dynamic nuclear polarization. We observe bulk nuclear spin polarization of 6%, an enhancement of ~170,000 over thermal equilibrium. The signal ofmore » the hyperpolarized spins was detected in situ with a standard nuclear magnetic resonance probe without the need for sample shuttling or precise crystal orientation. In conclusion, hyperpolarization via optical pumping/dynamic nuclear polarization should function at arbitrary magnetic fields enabling orders of magnitude sensitivity enhancement for nuclear magnetic resonance of solids and liquids under ambient conditions.« less

Suppression of magnetic order in CaCo1.86As2 with Fe substitution: Magnetization, neutron diffraction, and x-ray diffraction studies of Ca (Co1-xFex) yAs2

NASA Astrophysics Data System (ADS)

Jayasekara, W. T.; Pandey, Abhishek; Kreyssig, A.; Sangeetha, N. S.; Sapkota, A.; Kothapalli, K.; Anand, V. K.; Tian, W.; Vaknin, D.; Johnston, D. C.; McQueeney, R. J.; Goldman, A. I.; Ueland, B. G.

2017-02-01

Magnetization, neutron diffraction, and high-energy x-ray diffraction results for Sn-flux grown single-crystal samples of Ca (Co1-xFex) yAs2 , 0 ≤x ≤1 , 1.86 ≤y ≤2 , are presented and reveal that A-type antiferromagnetic order, with ordered moments lying along the c axis, persists for x ≲0.12 (1 ) . The antiferromagnetic order is smoothly suppressed with increasing x , with both the ordered moment and Néel temperature linearly decreasing. Stripe-type antiferromagnetic order does not occur for x ≤0.25 , nor does ferromagnetic order for x up to at least x =0.104 , and a smooth crossover from the collapsed-tetragonal (cT) phase of CaCo1.86As2 to the tetragonal (T) phase of CaFe2As2 occurs. These results suggest that hole doping CaCo1.86As2 has a less dramatic effect on the magnetism and structure than steric effects due to substituting Sr for Ca.

Soft x-ray resonant diffraction study of magnetic structure in magnetoelectric Y-type hexaferrite

NASA Astrophysics Data System (ADS)

Ueda, H.; Tanaka, Y.; Wakabayashi, Y.; Kimura, T.

2018-05-01

The effect of magnetic field on the magnetic structure associated with magnetoelectric properties in a Y-type hexaferrite, Ba1.3Sr0.7CoZnFe11AlO22, was investigated by utilizing the soft x-ray resonant diffraction technique. In this hexaferrite, the so-called alternating longitudinal conical phase is stabilized at room temperature and zero magnetic field. Below room temperature, however, this phase is transformed into the so-called transverse conical phase by applying an in-plane magnetic field (≈ 0.3 T). The transverse conical phase persists even after removing the magnetic field. The magnetoelectricity, which is magnetically-induced electric polarization, observed in the hexaferrite is discussed in terms of the temperature-dependent magnetic structure at zero field.

Magnetic ground state of the multiferroic hexagonal LuFe O3

NASA Astrophysics Data System (ADS)

Suresh, Pittala; Vijaya Laxmi, K.; Bera, A. K.; Yusuf, S. M.; Chittari, Bheema Lingam; Jung, Jeil; Anil Kumar, P. S.

2018-05-01

The structural, electric, and magnetic properties of bulk hexagonal LuFe O3 are investigated. Single phase hexagonal LuFe O3 has been successfully stabilized in the bulk form without any doping by sol-gel method. The hexagonal crystal structure with P 63c m space group has been confirmed by x-ray-diffraction, neutron-diffraction, and Raman spectroscopy study at room temperature. Neutron diffraction confirms the hexagonal phase of LuFe O3 persists down to 6 K. Further, the x-ray photoelectron spectroscopy established the 3+ oxidation state of Fe ions. The temperature-dependent magnetic dc susceptibility, specific heat, and neutron-diffraction studies confirm an antiferromagnetic ordering below the Néel temperature (TN)˜130 K . Analysis of magnetic neutron-diffraction patterns reveals an in-plane (a b -plane) 120∘ antiferromagnetic structure, characterized by a propagation vector k =(0 0 0 ) with an ordered moment of 2.84 μB/F e3 + at 6 K. The 120∘ antifferomagnetic ordering is further confirmed by spin-orbit coupling density functional theory calculations. The on-site coulomb interaction (U ) and Hund's parameter (JH) on Fe atoms reproduced the neutron-diffraction Γ1 spin pattern among the Fe atoms. P -E loop measurements at room temperature confirm an intrinsic ferroelectricity of the sample with remnant polarization Pr˜0.18 μ C /c m2 . A clear anomaly in the dielectric data is observed at ˜TN revealing the presence of magnetoelectric coupling. A change in the lattice constants at TN has also been found, indicating the presence of a strong magnetoelastic coupling. Thus a coupling between lattice, electric, and magnetic degrees of freedom is established in bulk hexagonal LuFe O3 .

Change in the magnetic structure of (Bi,Sm)FeO3 thin films at the morphotropic phase boundary probed by neutron diffraction

NASA Astrophysics Data System (ADS)

Maruyama, Shingo; Anbusathaiah, Varatharajan; Fennell, Amy; Enderle, Mechthild; Takeuchi, Ichiro; Ratcliff, William D.

2014-11-01

We report on the evolution of the magnetic structure of BiFeO3 thin films grown on SrTiO3 substrates as a function of Sm doping. We determined the magnetic structure using neutron diffraction. We found that as Sm increases, the magnetic structure evolves from a cycloid to a G-type antiferromagnet at the morphotropic phase boundary, where there is a large piezoelectric response due to an electric-field induced structural transition. The occurrence of the magnetic structural transition at the morphotropic phase boundary offers another route towards room temperature multiferroic devices.

Room Temperature Ferromagnetism of Fe Doped Indium Tin Oxide Based on Dispersed Fe3O4 Nanoparticles

NASA Astrophysics Data System (ADS)

Okada, Koichi; Kohiki, Shigemi; Nishi, Sachio; Shimooka, Hirokazu; Deguchi, Hiroyuki; Mitome, Masanori; Bando, Yoshio; Shishido, Toetsu

2007-09-01

Transmission electron microscopy revealed that Fe3O4 nanoparticles with diameter of ≈200 nm dispersed in Fe doped indium tin oxide (Fe@ITO) powders exhibiting co-occurrence of room temperature ferromagnetism and superparamagnetism. Although we observed no X-ray diffraction peak from Fe related compounds for Fe0.19@ITO (ITO: In1.9Sn0.1O3) powders, the powders showed both hysteresis loop in field dependent magnetization at 300 K and divergence of zero-field-cooled magnetization from field-cooled magnetization. Scanning transmission electron microscopy with energy dispersive X-ray spectroscopy demonstrated that the nanoparticle with diameter of ≈200 nm consists of Fe and oxygen. Transmission electron diffraction revealed that crystal structure of the nanoparticle is inverse spinel type Fe3O4. The Fe3O4 crystalline phase by electron diffraction is consistent with the saturation magnetization of 1.3 μB/Fe and magnetic anomaly at ≈110 K observed for the powders.

Low temperature magnetic properties of Nd2Ru2O7

NASA Astrophysics Data System (ADS)

Ku, S. T.; Kumar, D.; Lees, M. R.; Lee, W.-T.; Aldus, R.; Studer, A.; Imperia, P.; Asai, S.; Masuda, T.; Chen, S. W.; Chen, J. M.; Chang, L. J.

2018-04-01

We present magnetic susceptibility, heat capacity, and neutron diffraction measurements of polycrystalline Nd2Ru2O7 down to 0.4 K. Three anomalies in the magnetic susceptibility measurements at 146, 21 and 1.8 K are associated with an antiferromagnetic ordering of the Ru4+ moments, a weak ferromagnetic signal attributed to a canting of the Ru4+ and Nd3+ moments, and a long-range-ordering of the Nd3+ moments, respectively. The long-range order of the Nd3+ moments was observed in all the measurements, indicating that the ground state of the compound is not a spin glass. The magnetic entropy of Rln2 accumulated up to 5 K, suggests the Nd3+ has a doublet ground state. Lattice distortions accompany the transitions, as revealed by neutron diffraction measurements, and in agreement with earlier synchrotron x-ray studies. The magnetic moment of the Nd3+ ion at 0.4 K is estimated to be 1.54(2)µ B and the magnetic structure is all-in all-out as determined by our neutron diffraction measurements.

Pressure dependence of the magnetic order in CrAs: a neutron diffraction investigation

DOE PAGES

Keller, L.; White, J. S.; Babkevich, P.; ...

2015-01-29

The suppression of magnetic order with pressure concomitant with the appearance of pressure-induced superconductivity was recently discovered in CrAs. Here we present a neutron diffraction study of the pressure evolution of the helimagnetic ground-state towards and in the vicinity of the superconducting phase. Neutron diffraction on polycrystalline CrAs was employed from zero pressure to 0.65 GPa and at various temperatures. The helimagnetic long-range order is sustained under pressure and the magnetic propagation vector does not show any considerable change. The average ordered magnetic moment is reduced from 1.73(2) μ B at ambient pressure to 0.4(1) μ B close to themore » critical pressure P c ≈ 0.7 GPa, at which magnetic order is completely suppressed. The width of the magnetic Bragg peaks strongly depends on temperature and pressure, showing a maximum in the region of the onset of superconductivity. In conclusion, we interpret this as associated with competing ground-states in the vicinity of the superconducting phase.« less

Pressure dependence of the magnetic order in CrAs: a neutron diffraction investigation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Keller, L.; White, J. S.; Babkevich, P.

The suppression of magnetic order with pressure concomitant with the appearance of pressure-induced superconductivity was recently discovered in CrAs. Here we present a neutron diffraction study of the pressure evolution of the helimagnetic ground-state towards and in the vicinity of the superconducting phase. Neutron diffraction on polycrystalline CrAs was employed from zero pressure to 0.65 GPa and at various temperatures. The helimagnetic long-range order is sustained under pressure and the magnetic propagation vector does not show any considerable change. The average ordered magnetic moment is reduced from 1.73(2) μ B at ambient pressure to 0.4(1) μ B close to themore » critical pressure P c ≈ 0.7 GPa, at which magnetic order is completely suppressed. The width of the magnetic Bragg peaks strongly depends on temperature and pressure, showing a maximum in the region of the onset of superconductivity. In conclusion, we interpret this as associated with competing ground-states in the vicinity of the superconducting phase.« less

The magnetic structure of Co(NCNH)₂ as determined by (spin-polarized) neutron diffraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jacobs, Philipp; Houben, Andreas; Senyshyn, Anatoliy

The magnetic structure of Co(NCNH)₂ has been studied by neutron diffraction data below 10 K using the SPODI and DNS instruments at FRM II, Munich. There is an intensity change in the (1 1 0) and (0 2 0) reflections around 4 K, to be attributed to the onset of a magnetic ordering of the Co²⁺ spins. Four different spin orientations have been evaluated on the basis of Rietveld refinements, comprising antiferromagnetic as well as ferromagnetic ordering along all three crystallographic axes. Both residual values and supplementary susceptibility measurements evidence that only a ferromagnetic ordering with all Co²⁺ spins parallelmore » to the c axis is a suitable description of the low-temperature magnetic ground state of Co(NCNH)₂. The deviation of the magnetic moment derived by the Rietveld refinement from the expectancy value may be explained either by an incomplete saturation of the moment at temperatures slightly below the Curie temperature or by a small Jahn–Teller distortion. - Graphical abstract: The magnetic ground state of Co(NCNH)₂ has been clarified by (spin-polarized) neutron diffraction data at low temperatures. Intensity changes below 4 K arise due to the onset of ferromagnetic ordering of the Co²⁺ spins parallel to the c axis, corroborated by various (magnetic) Rietveld refinements. Highlights: • Powderous Co(NCNH)₂ has been subjected to (spin-polarized) neutron diffraction. • Magnetic susceptibility data of Co(NCNH)₂ have been collected. • Below 4 K, the magnetic moments align ferromagnetically with all Co²⁺ spins parallel to the c axis. • The magnetic susceptibility data yield an effective magnetic moment of 4.68 and a Weiss constant of -13(2) K. • The ferromagnetic Rietveld refinement leads to a magnetic moment of 2.6 which is close to the expectancy value of 3.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Paranin, V. D.

In work we investigated yttrium iron garnet epitaxial films with a thickness of 10 µm and 55 µm which were grown on the surface of garnet substrate. Using the polarizing microscopy method the branching domain structure of films was shown with the period of domains 21.5 µm and 42.5 µm. Disappearance of domains at presence of an external magnetic field up to 100 Oe was noted. The optical transmission of films for the polarized beam of HeNe laser is investigated and zero diffraction order and odd diffraction rings orders were shown. Interconnection of the period of chaotically oriented domains with angles of axially symmetricmore » diffraction rings orders was shown. Diffraction patterns at various longitudinal magnetic fields are investigated. Disappearance of odd diffraction orders and increasing in intensity of zero diffraction order were fixed. Optical transmission of epitaxial films was measured in range of 500 - 900 nm.« less

A Combined FEM/MoM/GTD Technique To Analyze Elliptically Polarized Cavity-Backed Antennas With Finite Ground Plane

NASA Technical Reports Server (NTRS)

Reddy, C. J.; Deshpande, M. D.; Fralick, D. T.; Cockrell, C. R.; Beck, F. B.

1996-01-01

Radiation pattern prediction analysis of elliptically polarized cavity-backed aperture antennas in a finite ground plane is performed using a combined Finite Element Method/Method of Moments/Geometrical Theory of Diffraction (FEM/MoM/GTD) technique. The magnetic current on the cavity-backed aperture in an infinite ground plane is calculated using the combined FEM/MoM analysis. GTD, including the slope diffraction contribution, is used to calculate the diffracted fields caused by both soft and hard polarizations at the edges of the finite ground plane. Explicit expressions for regular diffraction coefficients and slope diffraction coefficients are presented. The slope of the incident magnetic field at the diffraction points is derived and analytical expressions are presented. Numerical results for the radiation patterns of a cavity-backed circular spiral microstrip patch antenna excited by a coaxial probe in a finite rectangular ground plane are computed and compared with experimental results.

Compositional Tuning, Crystal Growth, and Magnetic Properties of Iron Phosphate Oxide

NASA Astrophysics Data System (ADS)

Tarne, Michael

Iron phosphate oxide, Fe3PO4O 3, is a crystalline solid featuring magnetic Fe3+ ions on a complex lattice composed of closely-spaced triangles. Previous work from our research group on this compound has proposed a helical magnetic structure below T = 163 K attributed to J1 - J2 competing interactions between nearest-neighbor and next-nearest-neighbor iron atoms. This was based on neutron powder diffraction featuring unique broad, flat-topped magnetic reflections due to needle-like magnetic domains. In order to confirm the magnetic structure and origins of frustration, this thesis will expand upon the research focused on this compound. The first chapter focuses on single crystal growth of Fe3PO 4O3. While neutron powder diffraction provides insight to the magnetic structure, powder and domain averaging obfuscate a conclusive structure for Fe3PO4O3 and single crystal neutron scattering is necessary. Due to the incongruency of melting, single crystal growth has proven challenging. A number of techniques including flux growth, slow cooling, and optical floating zone growth were attempted and success has been achieved via heterogenous chemical vapor transport from FePO 4 using ZrCl4 as a transport agent. These crystals are of sufficient size for single crystal measurements on modern neutron diffractometers. Dilution of the magnetic sublattice in frustrated magnets can also provide insight into the nature of competing spin interactions. Dilution of the Fe 3+ lattice in Fe3PO4O3 is accomplished by substituting non-magnetic Ga3+ to form the solid solution series Fe3-xGaxPO4O3 with x = 0, 0.012, 0.06, 0.25, 0.5, 1.0, 1.5. The magnetic susceptibility and neutron powder diffraction data of these compounds are presented. A dramatic decrease of the both the helical pitch length and the domain size is observed with increasing x; for x > 0.5, the compounds lack long range magnetic order. The phases that do exhibit magnetic order show a decrease in helical pitch with increasing x as determined from the magnitude of the magnetic propagation vector. This trend can be qualitatively reproduced by increasing the ratio of J2/ J1 in the Heisenberg model. Intriguingly, the domain size extracted from peak broadening of the magnetic reflections is nearly equal to the pitch length for each value of x, which suggests that the two qualities are linked in this unusual antiferromagnet. The last chapter focuses on the oxyfluoride Fe3PO7-x Fx. Through fluorination using low-temperature chimie douce reactions with polytetrafluoroethylene, the magnetic properties show changes in the magnetic susceptibility, isothermal magnetization, and neutron powder diffraction. The magnetic susceptibility shows a peak near T = 13 K and a zero field cooled/field cooled splitting at T = 78 K. The broad, flat-topped magnetic reflections in the powder neutron diffraction exhibit a decrease in width and increase in intensity. The changes in the neutron powder diffraction suggest an increase in correlation length in the ab plane of the fluorinated compound. Iron phosphate oxide is a unique lattice showing a rich magnetic phase diagram in both the gallium-substituted and fluorinated species. While mean-field interactions are sufficient to describe interactions in the solid solution series Fe3-xGaxPO4O3, the additional magnetic transitions in Fe3PO7-xFx suggest a more complicated set of interactions.

Anti-site mixing and magnetic properties of Fe 3Co 3Nb 2 studied via neutron powder diffraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Xiaoshan; Zhang, Xiaozhe; Yin, Yuewei

Here, we studied the crystal structure and magnetic properties of the rare-earth-free intermetallic compound Fe 3Co 3Nb 2, which has recently been demonstrated to have potentially high magnetic anisotropy, using temperature-dependent neutron powder diffraction. Furthermore, the temperature dependence of the diffraction spectra reveals a magnetic transition between 300 and 400 K, in agreement with the magnetometry measurements. According to the structural refinement of the paramagnetic state and the substantial magnetic contribution to the diffuse scattering in the ferromagnetic state, the Fe/Co anti-site mixing is so strong that the site occupation for Fe and Co is almost random. The projection ofmore » the magnetic moments turned out to be non-zero along the c axis and in the a–b plane of Fe 3Co 3Nb 2, most likely because of the exchange interactions between the randomly orientated nanograins in the samples. These findings suggest that future studies on the magnetism of Fe 3Co 3Nb 2 need to take the Fe/Co anti-site mixing into account, and the exchange interactions need to be suppressed to obtain large remanence and coercivity.« less

Anti-site mixing and magnetic properties of Fe 3Co 3Nb 2 studied via neutron powder diffraction

DOE PAGES

Xu, Xiaoshan; Zhang, Xiaozhe; Yin, Yuewei; ...

2016-11-02

Here, we studied the crystal structure and magnetic properties of the rare-earth-free intermetallic compound Fe 3Co 3Nb 2, which has recently been demonstrated to have potentially high magnetic anisotropy, using temperature-dependent neutron powder diffraction. Furthermore, the temperature dependence of the diffraction spectra reveals a magnetic transition between 300 and 400 K, in agreement with the magnetometry measurements. According to the structural refinement of the paramagnetic state and the substantial magnetic contribution to the diffuse scattering in the ferromagnetic state, the Fe/Co anti-site mixing is so strong that the site occupation for Fe and Co is almost random. The projection ofmore » the magnetic moments turned out to be non-zero along the c axis and in the a–b plane of Fe 3Co 3Nb 2, most likely because of the exchange interactions between the randomly orientated nanograins in the samples. These findings suggest that future studies on the magnetism of Fe 3Co 3Nb 2 need to take the Fe/Co anti-site mixing into account, and the exchange interactions need to be suppressed to obtain large remanence and coercivity.« less

Magnetic order in the frustrated Ising-like chain compound Sr3NiIrO6

NASA Astrophysics Data System (ADS)

Lefrançois, E.; Chapon, L. C.; Simonet, V.; Lejay, P.; Khalyavin, D.; Rayaprol, S.; Sampathkumaran, E. V.; Ballou, R.; Adroja, D. T.

2014-07-01

We have studied the field and temperature dependencies of the magnetization of single crystals of Sr3NiIrO6. These measurements evidence the presence of an easy axis of anisotropy and two anomalies in the magnetic susceptibility. Neutron powder diffraction realized on a polycrystalline sample reveals the emergence of magnetic reflections below 75 K with magnetic propagation vector k ˜ (0, 0, 1), undetected in previous neutron studies [T. N. Nguyen and H.-C. zur Loye, J. Solid State Chem. 117, 300 (1995), 10.1006/jssc.1995.1277]. The nature of the magnetic ground state, and the presence of two anomalies common to this family of material, are discussed on the basis of the results obtained by neutron diffraction, magnetization measurements, and symmetry arguments.

Preferred Orientation of Rare Earth (RE)-Doped Alumina Crystallites by an Applied Magnetic Field

DTIC Science & Technology

2016-06-01

Magnetic Field by Victoria L Blair, Raymond E Brennan, and Jane W Adams Weapons and Materials Research Directorate, ARL Carli A Moorehead...public release; distribution is unlimited. 16 13. Terada N, Suzuki HS, Suzuki TS, Kitazawa H, Sakka Y, Kaneko K, Metok N. In situ neutron diffraction...HS, Suzuki TS, Kitazawa H, Sakka Y, Kaneko K, Metoki N. Neutron diffraction texture analysis for alpha-Al2O3 oriented by high magnetic field and

Impact of magnetic fields on the morphology of hybrid perovskite films for solar cells

NASA Astrophysics Data System (ADS)

Corpus-Mendoza, Asiel N.; Moreno-Romero, Paola M.; Hu, Hailin

2018-05-01

The impact of magnetic fields on the morphology of hybrid perovskite films is assessed via scanning electron microscopy and X-ray diffraction. Small-grain non-uniform perovskite films are obtained when a large magnetic flux density is applied to the sample during reaction of PbI2 and methylammonium iodide (chloride). Similarly, X-ray diffraction reveals a change of preferential crystalline planes when large magnetic fields are applied. Furthermore, we experimentally demonstrate that the quality of the perovskite film is affected by the magnetic field induced by the magnetic stirring system of the hot plate where the samples are annealed. As a consequence, optimization of the perovskite layer varies with magnetic field and annealing temperature. Finally, we prove that uncontrolled magnetic fields on the environment of preparation can severely influence the reproducibility of results.

Revisiting the magnetic structure and charge ordering in La1 /3Sr2 /3FeO3 by neutron powder diffraction and Mössbauer spectroscopy

NASA Astrophysics Data System (ADS)

Li, F.; Pomjakushin, V.; Mazet, T.; Sibille, R.; Malaman, B.; Yadav, R.; Keller, L.; Medarde, M.; Conder, K.; Pomjakushina, E.

2018-05-01

The magnetic ordering of La1 /3Sr2 /3FeO3 perovskite has been studied by neutron powder diffraction and 57Fe Mössbauer spectroscopy down to 2 K. From symmetry analysis, a chiral helical model and a collinear model are proposed to describe the magnetic structure. Both are commensurate, with propagation vector k =(0 ,0 ,1 ) in R 3 ¯c space group. In the former model, the magnetic moments of Fe adopt the magnetic space group P 3221 and have helical and antiferromagnetic ordering propagating along the c axis. The model allows only a single Fe site, with a magnetic moment of 3.46(2)μB at 2 K. In the latter model, the magnetic moments of iron ions adopt the magnetic space group C 2 /c or C 2'/c' and are aligned collinearly. The model allows the presence of two inequivalent Fe sites with magnetic moments of amplitude 3.26(3)μB and 3.67(2)μB, respectively. The neutron-diffraction pattern is equally well fitted by either model. The Mössbauer spectroscopy study suggests a single charge state Fe3.66 + above the magnetic transition and a charge disproportionation into Fe(3.66 -ζ )+ and Fe(3.66 +2 ζ )+ below the magnetic transition. The compatibility of the magnetic structure models with the Mössbauer spectroscopy results is discussed.

Sugar-influenced water diffusion, interaction, and retention in clay interlayer nanopores probed by theoretical simulations and experimental spectroscopies

NASA Astrophysics Data System (ADS)

Aristilde, Ludmilla; Galdi, Stephen M.; Kelch, Sabrina E.; Aoki, Thalia G.

2017-08-01

Understanding the hydrodynamics in clay nanopores is important for gaining insights into the trapping of water, nutrients, and contaminants in natural and engineered soils. Previous investigations have focused on the interlayer organization and molecular diffusion coefficients (D) of cations and water molecules in cation-saturated interlayer nanopores of smectite clays. Little is known, however, about how these interlayer dynamic properties are influenced by the ubiquitous presence of small organic compounds such as sugars in the soil environment. Here we probed the effects of glucose molecules on montmorillonite interlayer properties. Molecular dynamics simulations revealed re-structuring of the interlayer organization of the adsorptive species. Water-water interactions were disrupted by glucose-water H-bonding interactions. ;Dehydration; of the glucose-populated nanopore led to depletion in the Na solvation shell, which resulted in the accumulation of both Na ions (as inner-sphere complexes) and remaining hydrated water molecules at the mineral surface. This accumulation led to a decrease in both DNa and Dwater. In addition, the reduction in Dglucose as a function of increasing glucose content can be explained by the aggregation of glucose molecules into organic clusters H-bonded to the mineral surface on both walls of the nanopore. Experimental nuclear magnetic resonance and X-ray diffraction data were consistent with the theoretical predictions. Compared to clay interlayers devoid of glucose, increased intensities and new peaks in the 23Na nuclear magnetic resonance spectra confirmed increasing immobilization of Na as a function of increasing glucose content. And, the X-ray diffraction data indicated a reduced collapse of glucose-populated interlayers exposed to decreasing moisture conditions, which led to the maintenance of hydrated clay nanopores. The coupling of theoretical and experimental findings sheds light on the molecular to nanoscale mechanisms that control the enhanced trapping of water molecules and solutes within sugar-enriched clay nanopores.

Fluorine sites in glasses and transparent glass-ceramics of the system Na{sub 2}O/K{sub 2}O/Al{sub 2}O{sub 3}/SiO{sub 2}/BaF{sub 2}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bocker, Christian, E-mail: christian.bocker@uni-jena.d; Munoz, Francisco; Duran, Alicia

2011-02-15

The transparent glass-ceramics obtained in the silicate system Na{sub 2}O/K{sub 2}O/SiO{sub 2}/BaF{sub 2} show homogeneously dispersed BaF{sub 2} nano crystals with a narrow size distribution. The X-ray diffraction and the nuclear magnetic resonance spectroscopy were applied to glasses and the respective glass-ceramics in order to clarify the crystallization mechanism and the role of fluorine during crystallization. With an increasing annealing time, the concentration and also the number of crystals remain approximately constant. With an increasing annealing temperature, the crystalline fraction increases until a saturation limit is reached, while the number of crystals decreases and the size of the crystals increases.more » Fluoride in the glassy network occurs as Al-F-Ba, Al-F-Na and also as Ba-F structures. The latter are transformed into crystalline BaF{sub 2} and fluoride is removed from the Al-F-Ba/Na bonds. However, some fluorine is still present in the glassy phase after the crystallization. -- Graphical abstract: The X-ray diffraction and the nuclear magnetic resonance spectroscopy were applied to glasses in the silicate system Na{sub 2}O/K{sub 2}O/SiO{sub 2}/BaF{sub 2} and the respective glass-ceramics with BaF{sub 2} nano crystals in order to clarify the crystallization mechanism and the role of fluorine during crystallization. Display Omitted Research highlights: {yields} BaF{sub 2} nano crystals are precipitated from a silicate glass system. {yields} Ostwald ripening during the late stage of crystallization does not occur. {yields} Fluorine in the glass is coordinated with Ba as well as Al together with Ba or Na.{yields} In the glass-ceramics, the residual fluorine is coordinated as Al-F-Ba/Na.« less

Evidence for color fluctuations in hadrons from coherent nuclear diffraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Frankfurt, L.; Miller, G.A.; Strikman, M.

A QCD-based treatment of projectile size fluctuations is used to compute inelastic diffractive cross sections [sigma][sub diff] for coherent hadron-nuclear processes. We find that fluctuations near the average size give the major contribution to the cross section with [lt] few % contribution from small size configurations. The computed values of [sigma][sub diff] are consistent with the limited available data. The importance of coherent diffraction studies for a wide range of projectiles for high energy Fermilab fixed target experiments is emphasized. The implications of these significant color fluctuations for relativistic heavy ion collisions are discussed.

Quantification of aquifer properties with surface nuclear magnetic resonance in the Platte River valley, central Nebraska, using a novel inversion method

USGS Publications Warehouse

Irons, Trevor P.; Hobza, Christopher M.; Steele, Gregory V.; Abraham, Jared D.; Cannia, James C.; Woodward, Duane D.

2012-01-01

Surface nuclear magnetic resonance, a noninvasive geophysical method, measures a signal directly related to the amount of water in the subsurface. This allows for low-cost quantitative estimates of hydraulic parameters. In practice, however, additional factors influence the signal, complicating interpretation. The U.S. Geological Survey, in cooperation with the Central Platte Natural Resources District, evaluated whether hydraulic parameters derived from surface nuclear magnetic resonance data could provide valuable input into groundwater models used for evaluating water-management practices. Two calibration sites in Dawson County, Nebraska, were chosen based on previous detailed hydrogeologic and geophysical investigations. At both sites, surface nuclear magnetic resonance data were collected, and derived parameters were compared with results from four constant-discharge aquifer tests previously conducted at those same sites. Additionally, borehole electromagnetic-induction flowmeter data were analyzed as a less-expensive surrogate for traditional aquifer tests. Building on recent work, a novel surface nuclear magnetic resonance modeling and inversion method was developed that incorporates electrical conductivity and effects due to magnetic-field inhomogeneities, both of which can have a substantial impact on the data. After comparing surface nuclear magnetic resonance inversions at the two calibration sites, the nuclear magnetic-resonance-derived parameters were compared with previously performed aquifer tests in the Central Platte Natural Resources District. This comparison served as a blind test for the developed method. The nuclear magnetic-resonance-derived aquifer parameters were in agreement with results of aquifer tests where the environmental noise allowed data collection and the aquifer test zones overlapped with the surface nuclear magnetic resonance testing. In some cases, the previously performed aquifer tests were not designed fully to characterize the aquifer, and the surface nuclear magnetic resonance was able to provide missing data. In favorable locations, surface nuclear magnetic resonance is able to provide valuable noninvasive information about aquifer parameters and should be a useful tool for groundwater managers in Nebraska.

Suppression of magnetic order in CaCo 1.86 As 2 with Fe substitution: Magnetization, neutron diffraction, and x-ray diffraction studies of Ca ( Co 1 – x Fe x ) y As 2

DOE PAGES

Jayasekara, W. T.; Pandey, Abhishek; Kreyssig, A.; ...

2017-02-23

Magnetization, neutron diffraction, and high-energy x-ray diffraction results for Sn-flux grown single-crystal samples of Ca(Co 1–xFe x) yAs 2, 0 ≤ x ≤ 1, 1.86 ≤ y ≤ 2, are presented and reveal that A-type antiferromagnetic order, with ordered moments lying along the c axis, persists for x ≲ 0.12(1). The antiferromagnetic order is smoothly suppressed with increasing x, with both the ordered moment and Néel temperature linearly decreasing. Stripe-type antiferromagnetic order does not occur for x ≤ 0.25, nor does ferromagnetic order for x up to at least x = 0.104, and a smooth crossover from the collapsed-tetragonal (cT)more » phase of CaCo 1.86As 2 to the tetragonal (T) phase of CaFe 2As 2 occurs. Furthermore, these results suggest that hole doping CaCo 1.86As 2 has a less dramatic effect on the magnetism and structure than steric effects due to substituting Sr for Ca.« less

Suppression of magnetic order in CaCo 1.86 As 2 with Fe substitution: Magnetization, neutron diffraction, and x-ray diffraction studies of Ca ( Co 1 – x Fe x ) y As 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jayasekara, W. T.; Pandey, Abhishek; Kreyssig, A.

Magnetization, neutron diffraction, and high-energy x-ray diffraction results for Sn-flux grown single-crystal samples of Ca(Co 1–xFe x) yAs 2, 0 ≤ x ≤ 1, 1.86 ≤ y ≤ 2, are presented and reveal that A-type antiferromagnetic order, with ordered moments lying along the c axis, persists for x ≲ 0.12(1). The antiferromagnetic order is smoothly suppressed with increasing x, with both the ordered moment and Néel temperature linearly decreasing. Stripe-type antiferromagnetic order does not occur for x ≤ 0.25, nor does ferromagnetic order for x up to at least x = 0.104, and a smooth crossover from the collapsed-tetragonal (cT)more » phase of CaCo 1.86As 2 to the tetragonal (T) phase of CaFe 2As 2 occurs. Furthermore, these results suggest that hole doping CaCo 1.86As 2 has a less dramatic effect on the magnetism and structure than steric effects due to substituting Sr for Ca.« less

Synthesis, growth, structural characterization, Hirshfeld analysis and nonlinear optical studies of a methyl substituted chalcone

NASA Astrophysics Data System (ADS)

Prabhu, Shobha R.; Jayarama, A.; Chandrasekharan, K.; Upadhyaya, V.; Ng, Seik Weng

2017-05-01

A new chalcone compound (2E)-3-(3-methylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one (3MPNP) with molecular formula C16H13NO3 has been synthesized and crystallized by slow solvent evaporation technique. The Fourier transform infrared, Fourier transform Raman and nuclear magnetic resonance techniques were used for structural characterization. UV-visible absorption studies were carried out to study the transparency of the crystal in the visible region. Differential scanning calorimetry study shows thermal stability of crystals up to temperature 122 °C. Single crystal X-ray diffraction and powder X-ray diffraction techniques were used to study crystal structure and cell parameters. The Hirshfeld surface and 2-D fingerprint analysis were performed to study the nature of interactions and their quantitative contributions towards the crystal packing. The third order non-linear optical properties have been studied using single beam Z-scan technique and the results show that the material is a potential candidate for optical device applications such as optical limiters and optical switches.

Experimental determination of pore shapes using phase retrieval from q -space NMR diffraction

NASA Astrophysics Data System (ADS)

Demberg, Kerstin; Laun, Frederik Bernd; Bertleff, Marco; Bachert, Peter; Kuder, Tristan Anselm

2018-05-01

This paper presents an approach to solving the phase problem in nuclear magnetic resonance (NMR) diffusion pore imaging, a method that allows imaging the shape of arbitrary closed pores filled with an NMR-detectable medium for investigation of the microstructure of biological tissue and porous materials. Classical q -space imaging composed of two short diffusion-encoding gradient pulses yields, analogously to diffraction experiments, the modulus squared of the Fourier transform of the pore image which entails an inversion problem: An unambiguous reconstruction of the pore image requires both magnitude and phase. Here the phase information is recovered from the Fourier modulus by applying a phase retrieval algorithm. This allows omitting experimentally challenging phase measurements using specialized temporal gradient profiles. A combination of the hybrid input-output algorithm and the error reduction algorithm was used with dynamically adapting support (shrinkwrap extension). No a priori knowledge on the pore shape was fed to the algorithm except for a finite pore extent. The phase retrieval approach proved successful for simulated data with and without noise and was validated in phantom experiments with well-defined pores using hyperpolarized xenon gas.

Solvent and temperature effects on crambin, a hydrophobic protein

DOE Office of Scientific and Technical Information (OSTI.GOV)

Llinas, M.; Lecomte, J.T.J.; De Marco, A.

1980-10-01

Crambin, a 5000-mol. wt. water-insoluble protein found in crambe abyssinica seeds is presently being studied by x-ray diffraction to 0.9 A resolution and /sup 1/H-nuclear magnetic resonance (NMR) spectroscopy. Preliminary /sup 1/H-NMR data at 250 and 600 MHz have suggested that this hydrophobic protein retains a similar globular conformation in both glacial acetic acid (AA), a Bronsted acid, and dimethylformamide (DMF), a Lewis base. These observations suggest that the globular conformation observed in these organic solvents is most likely the native structure present in the crystalline state. As suggested by the high intrinsic resolution of the crystallographic x-ray diffraction pattern,more » and demonstrated by the NMR data, crambin is a very rigid protein. Work is in progress to assign the /sup 1/H-resonances and to correlate H and /sup 13/C NMR dynamic data with the crystallographic model. It is hoped that unravelling conformational features of this hydrophobic protein will provide clues to help us understand other membrane-bound functional proteins.« less

Experimental determination of pore shapes using phase retrieval from q-space NMR diffraction.

PubMed

Demberg, Kerstin; Laun, Frederik Bernd; Bertleff, Marco; Bachert, Peter; Kuder, Tristan Anselm

2018-05-01

This paper presents an approach to solving the phase problem in nuclear magnetic resonance (NMR) diffusion pore imaging, a method that allows imaging the shape of arbitrary closed pores filled with an NMR-detectable medium for investigation of the microstructure of biological tissue and porous materials. Classical q-space imaging composed of two short diffusion-encoding gradient pulses yields, analogously to diffraction experiments, the modulus squared of the Fourier transform of the pore image which entails an inversion problem: An unambiguous reconstruction of the pore image requires both magnitude and phase. Here the phase information is recovered from the Fourier modulus by applying a phase retrieval algorithm. This allows omitting experimentally challenging phase measurements using specialized temporal gradient profiles. A combination of the hybrid input-output algorithm and the error reduction algorithm was used with dynamically adapting support (shrinkwrap extension). No a priori knowledge on the pore shape was fed to the algorithm except for a finite pore extent. The phase retrieval approach proved successful for simulated data with and without noise and was validated in phantom experiments with well-defined pores using hyperpolarized xenon gas.

Crystal growth, structural, optical, spectral and thermal studies of tris( L-phenylalanine) L-phenylalaninium nitrate: A new organic nonlinear optical material

NASA Astrophysics Data System (ADS)

Prakash, M.; Geetha, D.; Lydia Caroline, M.

2011-10-01

Tris( L-phenylalanine) L-phenylalaninium nitrate, C 9H 12NO 2+·NO 3-·3C 9H 11NO 2 (TPLPN), a new organic nonlinear optical material was grown from aqueous solution by slow evaporation solution growth at room temperature. The grown crystals were subjected to powder X-ray diffraction and single crystal X-ray diffraction studies to confirm the crystalline nature and crystal structure. The modes of vibration of different molecular groups present in TPLPN have been identified by FTIR spectral analysis. The presence of hydrogen and carbon in the grown crystal were confirmed by using proton and carbon nuclear magnetic resonance (NMR) spectral analyses. The optical transmission spectral study establishes good transmitting ability of the crystal in the entire visible region. The thermogravimetric (TG) and differential thermal analyses (DTA) were carried out to understand the thermal stability of the sample. The nonlinear optical property of the compound observed using Kurtz powder second harmonic generation test assets the suitability of the grown material for the frequency conversion of laser radiation of Nd:YAG.

Structure and vibrational spectra of melaminium bis(trifluoroacetate) trihydrate: FT-IR, FT-Raman and quantum chemical calculations

NASA Astrophysics Data System (ADS)

Sangeetha, V.; Govindarajan, M.; Kanagathara, N.; Marchewka, M. K.; Gunasekaran, S.; Anbalagan, G.

Melaminium bis(trifluoroacetate) trihydrate (MTFA), an organic material has been synthesized and single crystals of MTFA have been grown by the slow solvent evaporation method at room temperature. X-ray powder diffraction analysis confirms that MTFA crystal belongs to the monoclinic system with space group P2/c. The molecular geometry, vibrational frequencies and intensity of the vibrational bands have been interpreted with the aid of structure optimization based on density functional theory (DFT) B3LYP method with 6-311G(d,p) and 6-311++G(d,p) basis sets. The X-ray diffraction data have been compared with the data of optimized molecular structure. The theoretical results show that the crystal structure can be reproduced by optimized geometry and the vibrational frequencies show good agreement with the experimental values. The nuclear magnetic resonance (NMR) chemical shift of the molecule has been calculated by the gauge independent atomic orbital (GIAO) method and compared with experimental results. HOMO-LUMO, and other related molecular and electronic properties are calculated. The Mulliken and NBO charges have also been calculated and interpreted.

The Fourier Transform in Chemistry. Part 1. Nuclear Magnetic Resonance: Introduction.

ERIC Educational Resources Information Center

King, Roy W.; Williams, Kathryn R.

1989-01-01

Using fourier transformation methods in nuclear magnetic resonance has made possible increased sensitivity in chemical analysis. This article describes these methods as they relate to magnetization, the RF magnetic field, nuclear relaxation, the RF pulse, and free induction decay. (CW)

Magnetic and magnetocaloric properties of spin-glass material DyNi 0.67Si 1.34

DOE PAGES

Chen, X.; Mudryk, Y.; Pathak, A. K.; ...

2017-04-18

Structural, magnetic, and magnetocaloric properties of DyNi 0.67Si 1.34 were investigated using X-ray powder diffraction, magnetic susceptibility, and magnetization measurements. X-ray powder diffraction pattern shows that DyNi 0.67Si 1.34 crystallizes in the AlB 2-type hexagonal structure (space group: P6/ mmm, No. 191, a = b = 3.9873(9) Å, and c = 3.9733(1) Å). The compound is a spin-glass with the freezing temperature TG = 6.2 K. The ac magnetic susceptibility measurements confirm magnetic frustration in DyNi 0.67Si 1.34. Furthermore, the maximum value of the magnetic entropy change determined from M(H) data is –16.1 J/kg K at 10.5 K for amore » field change of 70 kOe.« less

In-situ magnetization/heating electron holography to study the magnetic ordering in arrays of nickel metallic nanowires.

PubMed

Ortega, Eduardo; Santiago, Ulises; Giuliani, Jason G; Monton, Carlos; Ponce, Arturo

2018-05-01

Magnetic nanostructures of different size, shape, and composition possess a great potential to improve current technologies like data storage and electromagnetic sensing. In thin ferromagnetic nanowires, their magnetization behavior is dominated by the competition between magnetocrystalline anisotropy (related to the crystalline structure) and shape anisotropy. In this way electron diffraction methods like precession electron diffraction (PED) can be used to link the magnetic behavior observed by Electron Holography (EH) with its crystallinity. Using off-axis electron holography under Lorentz conditions, we can experimentally determine the magnetization distribution over neighboring nanostructures and their diamagnetic matrix. In the case of a single row of nickel nanowires within the alumina template, the thin TEM samples showed a dominant antiferromagnetic arrangement demonstrating long-range magnetostatic interactions playing a major role.

In-situ magnetization/heating electron holography to study the magnetic ordering in arrays of nickel metallic nanowires

NASA Astrophysics Data System (ADS)

Ortega, Eduardo; Santiago, Ulises; Giuliani, Jason G.; Monton, Carlos; Ponce, Arturo

2018-05-01

Magnetic nanostructures of different size, shape, and composition possess a great potential to improve current technologies like data storage and electromagnetic sensing. In thin ferromagnetic nanowires, their magnetization behavior is dominated by the competition between magnetocrystalline anisotropy (related to the crystalline structure) and shape anisotropy. In this way electron diffraction methods like precession electron diffraction (PED) can be used to link the magnetic behavior observed by Electron Holography (EH) with its crystallinity. Using off-axis electron holography under Lorentz conditions, we can experimentally determine the magnetization distribution over neighboring nanostructures and their diamagnetic matrix. In the case of a single row of nickel nanowires within the alumina template, the thin TEM samples showed a dominant antiferromagnetic arrangement demonstrating long-range magnetostatic interactions playing a major role.

NEUTRON DIFFRACTION INVESTIGATIONS OF FERROMAGNETIC PALLADIUM AND IRON GROUP ALLOYS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cable, J.W.; Wollan, E.O.; Koehler, W.C.

1962-03-01

In order to account for the magnetic properties of alloys It becomes important to determine the individual magnetic moments of the constituent atoms. This determination can be accomplished by means of neutron diffraction and magnetic induction measurements. Such measurements are made on the ferromagnetic alloys Pd/sub 3/Fe, PdFe, Pd/sub 3/Co, PdCo, Ni/sub 3/Co, and NiCo. The average moment values are obtained from magnetic induction measurements while the differences in the atomic moments are determined from either the ferromagnetic diffuse scattering by the disordered alloys or the superlattice reflections by the ordered alloys. (auth)

Magnetic structure of Ho0.5Y0.5Mn6Sn6 compound studied by powder neutron diffraction

NASA Astrophysics Data System (ADS)

Li, X.-Y.; Peng, L.-C.; He, L.-H.; Zhang, S.-Y.; Yao, J.-L.; Zhang, Y.; Wang, F.-W.

2018-05-01

The crystallographic and magnetic structures of the HfFe6Ge6-type compound Ho0.5Y0.5Mn6Sn6 have been studied by powder neutron diffraction and in-situ Lorentz transmission electron microscopy. Besides the nonlinear thermal expansion of lattice parameters, an incommensurate conical spiral magnetic structure was determined in the temperature interval of 2-340 K. A spin reorientation transition has been observed from 50 to 300 K, where the alignment of the c-axis component of magnetic moments of the Ho sublattice and the Mn sublattice transfers from ferrimagnetic to ferromagnetic.

Residual stress characterization of steel TIG welds by neutron diffraction and by residual magnetic stray field mappings

NASA Astrophysics Data System (ADS)

Stegemann, Robert; Cabeza, Sandra; Lyamkin, Viktor; Bruno, Giovanni; Pittner, Andreas; Wimpory, Robert; Boin, Mirko; Kreutzbruck, Marc

2017-03-01

The residual stress distribution of tungsten inert gas welded S235JRC+C plates was determined by means of neutron diffraction (ND). Large longitudinal residual stresses with maxima around 600 MPa were found. With these results as reference, the evaluation of residual stress with high spatial resolution GMR (giant magneto resistance) sensors was discussed. The experiments performed indicate a correlation between changes in residual stresses (ND) and the normal component of local residual magnetic stray fields (GMR). Spatial variations in the magnetic field strength perpendicular to the welds are in the order of the magnetic field of the earth.

Spin-liquid ground state in the frustrated J 1 - J 2 zigzag chain system BaTb 2 O 4

DOE PAGES

Aczel, A. A.; Li, L.; Garlea, V. O.; ...

2015-07-13

We have investigated polycrystalline samples of the zigzag chain system BaTb 2O 4 with magnetic susceptibility, heat capacity, neutron powder diffraction, and muon spin relaxation measurements. No magnetic transitions are observed in the bulk measurements, while neutron diffraction reveals low-temperature, short-range, intrachain magnetic correlations between Tb 3+ ions. Muon spin relaxation measurements indicate that these correlations are dynamic, as the technique detects no signatures of static magnetism down to 0.095 K. Altogether these findings provide strong evidence for a spin liquid ground state in BaTb 2O 4.

Anion ordering, magnetic structure and properties of the vacancy ordered perovskite Ba{sub 3}Fe{sub 3}O{sub 7}F

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clemens, Oliver, E-mail: oliver.clemens@nano.tu-darmstadt.de; Karlsruher Institut für Technologie, Institut für Nanotechnologie, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen; University of Birmingham, School of Chemistry, Birmingham B152TT

2016-11-15

This article describes a detailed investigation of the crystallographic and magnetic structure of perovskite type Ba{sub 3}Fe{sub 3}O{sub 7}F by a combined analysis of X-ray and neutron powder diffraction data. Complete ordering of vacancies within the perovskite lattice could be confirmed. In addition, the structure of the anion sublattice was studied by means of the valence bond method, which suggested partial ordering of the fluoride ions on two of the six crystallographically different anion sites. Moreover, the compound was found to show G-type antiferromagnetic ordering of Fe moments, in agreement with magnetometric measurements as well as previously recorded {sup 57}Femore » Mössbauer spectroscopy data. - Graphical abstract: The vacancy and anion ordered structure of Ba{sub 3}Fe{sub 3}O{sub 7}F is described together with its magnetic properties. - Highlights: • Ba{sub 3}Fe{sub 3}O{sub 7}F possesses a unique vacancy order not found for other perovskite type compounds. • The valence bond method was used to locate oxide and fluoride ions. • Fluoride ions are distributed only on two of the six anion sites in Ba{sub 3}Fe{sub 3}O{sub 7}F. • The compound shows G-type antiferromagnetic ordering of magnetic moments. • The magnetic structure could be refined in one of the maximal magnetic subgroups of the nuclear structure.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Winterrose, M.L.; Lucas, M.S.; Yue, A.F.

Synchrotron x-ray diffraction (XRD) measurements, nuclear forward scattering (NFS) measurements, and density functional theory (DFT) calculations were performed on L1{sub 2}-ordered Pd{sub 3}Fe. Measurements were performed at 300 K at pressures up to 33 GPa, and at 7 GPa at temperatures up to 650 K. The NFS revealed a collapse of the Fe57 magnetic moment between 8.9 and 12.3 GPa at 300 K, coinciding with a transition in bulk modulus found by XRD. Heating the sample under a pressure of 7 GPa showed negligible thermal expansion from 300 to 523 K, demonstrating Invar behavior. Zero-temperature DFT calculations identified a ferromagneticmore » ground state and showed several antiferromagnetic states had comparable energies at pressures above 20 GPa.« less

Synthesis of new oligothiophene derivatives and their intercalation compounds: Orientation effects

USGS Publications Warehouse

Ibrahim, M.A.; Lee, B.-G.; Park, N.-G.; Pugh, J.R.; Eberl, D.D.; Frank, A.J.

1999-01-01

The orientation dependence of intercalated oligothiophene derivatives in vermiculite and metal disulfides MS2 (M = Mo, Ti and Zr) on the pendant group on the thiophene ring and the host material was studied by X-ray diffraction (XRD) and solid state nuclear magnetic resonance spectroscopy. Amino and nitro derivatives of bi-, ter- and quarter-thiophenes were synthesized for the first time. The amino-oligothiophenes were intercalated into vermiculite by an exchange reaction with previously intercalated octadecylammonium vermiculite and into MS2 by the intercalation-exfoliation technique. Analysis of the XRD data indicates that a monolayer of amino-oligothiophene orients perpendicularly to the silicate surface in vermiculite and lies flat in the van der Waals gap of MS2.

Dynamic nuclear polarization in a magnetic resonance force microscope experiment.

PubMed

Issac, Corinne E; Gleave, Christine M; Nasr, Paméla T; Nguyen, Hoang L; Curley, Elizabeth A; Yoder, Jonilyn L; Moore, Eric W; Chen, Lei; Marohn, John A

2016-04-07

We report achieving enhanced nuclear magnetization in a magnetic resonance force microscope experiment at 0.6 tesla and 4.2 kelvin using the dynamic nuclear polarization (DNP) effect. In our experiments a microwire coplanar waveguide delivered radiowaves to excite nuclear spins and microwaves to excite electron spins in a 250 nm thick nitroxide-doped polystyrene sample. Both electron and proton spin resonance were observed as a change in the mechanical resonance frequency of a nearby cantilever having a micron-scale nickel tip. NMR signal, not observable from Curie-law magnetization at 0.6 T, became observable when microwave irradiation was applied to saturate the electron spins. The resulting NMR signal's size, buildup time, dependence on microwave power, and dependence on irradiation frequency was consistent with a transfer of magnetization from electron spins to nuclear spins. Due to the presence of an inhomogeneous magnetic field introduced by the cantilever's magnetic tip, the electron spins in the sample were saturated in a microwave-resonant slice 10's of nm thick. The spatial distribution of the nuclear polarization enhancement factor ε was mapped by varying the frequency of the applied radiowaves. The observed enhancement factor was zero for spins in the center of the resonant slice, was ε = +10 to +20 for spins proximal to the magnet, and was ε = -10 to -20 for spins distal to the magnet. We show that this bipolar nuclear magnetization profile is consistent with cross-effect DNP in a ∼10(5) T m(-1) magnetic field gradient. Potential challenges associated with generating and using DNP-enhanced nuclear magnetization in a nanometer-resolution magnetic resonance imaging experiment are elucidated and discussed.

Mössbauer and X-ray diffraction study of Co2+-Si4+ substituted M-type barium hexaferrite BaFe12-2хСохSiхO19±γ

NASA Astrophysics Data System (ADS)

Solovyova, E. D.; Pashkova, E. V.; Ivanitski, V. P.; V‧yunov, O. I.; Belous, A. G.

2013-03-01

Using X-ray powder diffractions, Mössbauer spectroscopy, and magnetic measurements, the effect of dopants (Co2++Si4+) on the fine structure and magnetic properties of M-type barium hexaferrite prepared by hydroxide and carbonate precipitations has been studied. It has been shown that the magnetic properties of M-type barium hexaferrite can be controlled by heterovalent substitution 2Fe3+→Со2++Sі4+.

The magnetic order of GdMn₂Ge₂ studied by neutron diffraction and x-ray resonant magnetic scattering.

PubMed

Granovsky, S A; Kreyssig, A; Doerr, M; Ritter, C; Dudzik, E; Feyerherm, R; Canfield, P C; Loewenhaupt, M

2010-06-09

The magnetic structure of GdMn₂Ge₂ (tetragonal I4/mmm) has been studied by hot neutron powder diffraction and x-ray resonant magnetic scattering techniques. These measurements, along with the results of bulk experiments, confirm the collinear ferrimagnetic structure with moment direction parallel to the c-axis below T(C) = 96 K and the collinear antiferromagnetic phase in the temperature region T(C) < T < T(N) = 365 K. In the antiferromagnetic phase, x-ray resonant magnetic scattering has been detected at Mn K and Gd L₂ absorption edges. The Gd contribution is a result of an induced Gd 5d electron polarization caused by the antiferromagnetic order of Mn-moments.

Wide-range nuclear magnetic resonance detector

NASA Technical Reports Server (NTRS)

Sturman, J. C.; Jirberg, R. J.

1972-01-01

Compact and easy to use solid state nuclear magnetic resonance detector is designed for measuring field strength to 20 teslas in cryogenically cooled magnets. Extremely low noise and high sensitivity make detector applicable to nearly all types of analytical nuclear magnetic resonance measurements and can be used in high temperature and radiation environments.

Neutron Diffraction Study of Parasitic Nd-Moment Order in the Checkerboard-Type Phase Nd 1.3Sr 0.7NiO 4

DOE PAGES

Kobayashi, Riki; Yoshizawa, Hideki; Matsuda, Masaaki; ...

2015-05-25

In this paper, the Nd-moment order in the layered nickelate Nd 2-xSr xNiO 4 (x = 0.7) has been investigated by performing a neutron diffraction experiment using a single crystal sample. First, the checkerboard (CB)-type charge order was confirmed by observing the temperature dependence of the nuclear superlattice peak at Q=(5,0,0) between 1.9 and 300 K, which indicates that the transition temperature of the CB-type charge order is above 300 K. Magnetic superlattice peaks with the propagation vector k=(1-ε,0,1) appear below 67 K, and the value of ε was determined to be 0.455 in good agreement with previous studies. Themore » intensity of the magnetic superlattice peaks appearing below 67 K shows a sharp increase below ≈20 K. This behavior indicates that the Nd moments freeze under the influence of the Ni ordering. The CB-type antiferromagnetic (AFM) Ni order in the NiO 2 layers is stacked antiferromagnetically in the c-axis direction, while the Nd moments in the Nd/SrO 2 layers are coupled antiferromagnetically with the Ni moments. Finally, the Nd moments are parallel to the c-axis, while the Ni moments are canted towards the c-axis direction from the basal ab-plane at low temperatures where the Nd moments are well ordered.« less

The degree and nature of radiation damage in zircon observed by 29Si nuclear magnetic resonance

NASA Astrophysics Data System (ADS)

Farnan, I.; Salje, E. K. H.

2001-02-01

A quantitative analysis of 29Si nuclear magnetic resonance spectra of radiation damaged, natural zircons showed that the local structure in crystalline and amorphous regions depend explicitly on radiation dose. Nonpercolating amorphous islands of high density "glass" within the crystalline matrix show a low interconnectivity of SiO4 tetrahedra. This structural state is quite different from that of the high dose, percolating regions of low density glass with more polymerised tetrahedra. A continuous nonlinear dose dependence between the high and low density glass states is reported. A continuous evolution of the local structure of the crystalline phase up to the percolation point is also reported. No phase separation into binary oxides was observed. The total number of permanently displaced atoms per α-recoil event is ˜3800 atoms for low radiation doses and decreases to ˜2000 atoms for 10×1018 α events/g. No indication of partitioning of paramagnetic impurities between crystalline and amorphous regions was found for these natural zircons. The amorphous fractions of the metamict zircons were determined as a function of their accumulated radiation dose. These values coincide closely with those recently determined by x-ray diffraction studies. They are much greater than previously assumed based on density measurements. The dose dependence is consistent with the concept of direct impact amorphization in the atomic cascade following an α-recoil event.

Revealing Structural Details of SiCO Ceramics with GIPAW Calculations of Model Structures and Analysis of Experimental 29Si Nuclear Magnetic Resonance Spectroscopy

NASA Astrophysics Data System (ADS)

Nimmo, John; Kroll, Peter

2015-03-01

The occurrence of the various SiCxO4-x (1 <=x <=4) mixed tetrahedra in silicon oxycarbide (SiCO) is often quantified by means of experimental 29Si nuclear magnetic resonance. The structural centers are assigned to individual peaks in the spectrum, which can be integrated to give the relative populations. Using a recently-developed method, we show that is is also possible to recover information on the connectivity of these tetrahedra. By combining a huge library of model structures an GIPAW calculations, we show that simple relations exist between the Si-O-Si linking angles and the 29Si NMR chemical shift. In this work, we perform detailed analyses of SiCO 29Si NMR spectra available in literature. We extract angular distributions in agreement with the experimental X-ray and neutron diffraction data. Furthermore, in glasses with large amounts of so-called ``free'' carbon, we observe a significant portion of the {Si}O4 tetrahedra which have disproportionately large angles. These angles indicate the presence of internal SiO2 surfaces or cages-like voids, similar to those found in zeolites or clathrates. This analysis suggests that in SiCO, the ``free'' carbon is incorporated into these voids, which produces strain on the bonding angles of the surrounding host glass.

A useful organofunctionalized layered silicate for textile dye removal.

PubMed

Royer, Betina; Cardoso, Natali F; Lima, Eder C; Macedo, Thaís R; Airoldi, Claudio

2010-09-15

The octosilicate Na-RUB-18 has the ability to exchange its original sodium with cetyltrimethylammonium cations. This procedure leads to interlayer space expansion, with the aim of obtaining inorganic-organic nanostructured hybrids by chemical modification reactions. The silylating agent 3-trimethoxysilylpropylurea was attached to the inorganic layer using heterogeneous methodology. The new organofunctionalized material was characterized by elemental analysis, X-ray diffraction, (13)C and (29)Si nuclear magnetic resonances in the solid state, infrared spectroscopy, thermogravimetry and scanning electron microscopy. The amount of silylating agent immobilized on surface was 2.03 mmol g(-1), with a basal distance of 2.43 nm. Nuclear magnetic resonance of (13)C and (29)Si nuclei evidenced covalent bond formation between organosilyl and silanol groups at the surface. The new synthesized nanostructured layered material was able to remove the textile dye Reactive Black 5 from aqueous solution, followed through a batchwise process. The effects of stirring time, adsorbent dosage and pH on the adsorption capacity demonstrated that 150 min is enough to reach equilibrium at 298+/-1 K at pH 3.0. Based on error function values the data were best fitted to fractional-order kinetic models and compared to pseudo-first-order, pseudo-second-order and chemisorption kinetic models. The equilibrium data were better fitted to the Sips isotherm models. Copyright 2010 Elsevier B.V. All rights reserved.

An Overview of Hardware for Protein Crystallization in a Magnetic Field.

PubMed

Yan, Er-Kai; Zhang, Chen-Yan; He, Jin; Yin, Da-Chuan

2016-11-16

Protein crystallization under a magnetic field is an interesting research topic because a magnetic field may provide a special environment to acquire improved quality protein crystals. Because high-quality protein crystals are very useful in high-resolution structure determination using diffraction techniques (X-ray, neutron, and electron diffraction), research using magnetic fields in protein crystallization has attracted substantial interest; some studies have been performed in the past two decades. In this research field, the hardware is especially essential for successful studies because the environment is special and the design and utilization of the research apparatus in such an environment requires special considerations related to the magnetic field. This paper reviews the hardware for protein crystallization (including the magnet systems and the apparatus designed for use in a magnetic field) and progress in this area. Future prospects in this field will also be discussed.

An Overview of Hardware for Protein Crystallization in a Magnetic Field

PubMed Central

Yan, Er-Kai; Zhang, Chen-Yan; He, Jin; Yin, Da-Chuan

2016-01-01

Protein crystallization under a magnetic field is an interesting research topic because a magnetic field may provide a special environment to acquire improved quality protein crystals. Because high-quality protein crystals are very useful in high-resolution structure determination using diffraction techniques (X-ray, neutron, and electron diffraction), research using magnetic fields in protein crystallization has attracted substantial interest; some studies have been performed in the past two decades. In this research field, the hardware is especially essential for successful studies because the environment is special and the design and utilization of the research apparatus in such an environment requires special considerations related to the magnetic field. This paper reviews the hardware for protein crystallization (including the magnet systems and the apparatus designed for use in a magnetic field) and progress in this area. Future prospects in this field will also be discussed. PMID:27854318

Crystal Structure of the Caged Magnetic Compound DyFe2Zn20 at Low Temperature Magnetic Ordering State

NASA Astrophysics Data System (ADS)

Kishii, Nobuya; Tateno, Shota; Ohashi, Masashi; Isikawa, Yosikazu

We have carried out X-ray powder diffraction and thermal expansion measurements of the caged magnetic compound DyFe2Zn20. Even though a strong magnetic anisotropy exists in the magnetization and magnetic susceptibility due to strong exchange interaction between Fe and Dy, almost all X-ray powder diffraction peaks at 14 K correspond to Bragg reflections of the cubic structural models not only at room temperature paramagnetic state but also at low temperature magnetic ordering state. Although the temperature change of the lattice constant is isotropic, an anomalous behavior was observed in the thermal expansion coefficient around 15 K, while the anomaly around TC = 53 K is not clear. The results indicate that the volume change is not caused by the ferromagnetic interaction between Fe and Dy but by the exchange interaction between two Dy ions.

Rock-Magnetic Method for Post Nuclear Detonation Diagnostics

NASA Astrophysics Data System (ADS)

Englert, J.; Petrosky, J.; Bailey, W.; Watts, D. R.; Tauxe, L.; Heger, A. S.

2011-12-01

A magnetic signature characteristic of a Nuclear Electromagnetic Pulse (NEMP) may still be detectable near the sites of atmospheric nuclear tests conducted at what is now the Nevada National Security Site. This signature is due to a secondary magnetization component of the natural remanent magnetization of material containing traces of ferromagnetic particles that have been exposed to a strong pulse of magnetic field. We apply a rock-magnetic method introduced by Verrier et al. (2002), and tested on samples exposed to artificial lightning, to samples of rock and building materials (e.g. bricks, concrete) retrieved from several above ground nuclear test sites. The results of magnetization measurements are compared to NEMP simulations and historic test measurements.

Collection of small-size diffraction radiation oscillators

NASA Astrophysics Data System (ADS)

Shestopalov, Victor P.; Skrynnik, Boris K.

1995-10-01

The systematic research and engineering efforts for new class of vacuum tube devices such as diffraction radiation generators are in progress in the IRE of the National Academy of Sciences of Ukraine. For its operation DRG is based on excitation of open resonator (OR) by the Smith-Pursell radiation initiated when electron flow is rectinearly moving near diffracted grating (DG) arranged on one of the OR mirrors. By now a collection of small-sized highly stable through all mm band DRG, packetized in optimum magnet systems with air clearance of 32 mm is available. The supply power is less then 500 W. The magnetic field for accompanying of electron flow is 0,4-0,7 T. The mass of optimum magnet syustem of rare- earth elements is about 2-8 kg. The device is cooling by the water system.

Neutron diffraction study of antiferromagnetic ErNi3Ga9 in magnetic fields

NASA Astrophysics Data System (ADS)

Ninomiya, Hiroki; Sato, Takaaki; Matsumoto, Yuji; Moyoshi, Taketo; Nakao, Akiko; Ohishi, Kazuki; Kousaka, Yusuke; Akimitsu, Jun; Inoue, Katsuya; Ohara, Shigeo

2018-05-01

We report specific heat, magnetization, magnetoresistance, and neutron diffraction measurements of single crystals of ErNi3Ga9. This compound crystalizes in a chiral structure with space group R 32 . The erbium ions form a two-dimensional honeycomb structure. ErNi3Ga9 displays antiferromagnetic order below 6.4 K. We determined that the magnetic structure is slightly amplitude-modulated as well as antiferromagnetic with q = (0 , 0 , 0.5) . The magnetic properties are described by an Ising-like model in which the magnetic moment is always along the c-axis owing to the large uniaxial anisotropy caused by the crystalline electric field effect in the low temperature region. When the magnetic field is applied along the c-axis, a metamagnetic transition is observed around 12 kOe at 2 K. ErNi3Ga9 possesses crystal chirality, but the antisymmetric magnetic interaction, the so-called Dzyaloshinskii-Moriya (DM) interaction, does not contribute to the magnetic structure, because the magnetic moments are parallel to the DM-vector.

Neutron Diffraction and Electrical Transport Studies on Magnetic Transition in Terbium at High Pressures and Low Temperatures

NASA Astrophysics Data System (ADS)

Thomas, Sarah; Montgomery, Jeffrey; Tsoi, Georgiy; Vohra, Yogesh; Weir, Samuel; Tulk, Christopher; Moreira Dos Santos, Antonio

2013-06-01

Neutron diffraction and electrical transport measurements have been carried out on the heavy rare earth metal terbium at high pressures and low temperatures in order to elucidate its transition from a helical antiferromagnetic to a ferromagnetic ordered phase as a function of pressure. The electrical resistance measurements using designer diamonds show a change in slope as the temperature is lowered through the ferromagnetic Curie temperature. The temperature of the ferromagnetic transition decreases at a rate of -16.7 K/GPa till 3.6 GPa, where terbium undergoes a structural transition from hexagonal close packed (hcp) to an α-Sm phase. Above this pressure, the electrical resistance measurements no longer exhibit a change in slope. In order to confirm the change in magnetic phase suggested by the electrical resistance measurements, neutron diffraction measurements were conducted at the SNAP beamline at the Oak Ridge National Laboratory. Measurements were made at pressures to 5.3 GPa and temperatures as low as 90 K. An abrupt increase in peak intensity in the neutron diffraction spectra signaled the onset of magnetic order below the Curie temperature. A magnetic phase diagram of rare earth metal terbium will be presented to 5.3 GPa and 90 K based on these studies.

The early development of neutron diffraction: Science in the wings of the Manhattan Project

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mason, Thom; Gawne, Timothy J; Nagler, Stephen E

2012-01-01

Although neutron diffraction was first observed using radioactive decay sources shortly after the discovery of the neutron, it was only with the availability of higher intensity neutron beams from the first nuclear reactors, constructed as part of the Manhattan project, that systematic investigation of Bragg scattering became possible. Remarkably, at a time when the war effort was singularly focused on the development of the atomic bomb, groups working at Oak Ridge and Chicago carried out key measurements and recognized the future utility of neutron diffraction quite independent of its contributions to the measurements of nuclear cross sections. Ernest O. Wollan,more » Lyle B. Borst, and Walter H. Zinn were all able to observe neutron diffraction in 1944 using the X-10 graphite reactor and the CP-3 heavy water reactor.« less

Study of nuclear multifragmentation induced by ultrarelativistic μ-mesons in nuclear track emulsion

NASA Astrophysics Data System (ADS)

Artemenkov, D. A.; Bradnova, V.; Firu, E.; Kornegrutsa, N. K.; Haiduc, M.; Mamatkulov, K. Z.; Kattabekov, R. R.; Neagu, A.; Rukoyatkin, P. A.; Rusakova, V. V.; Stanoeva, R.; Zaitsev, A. A.; Zarubin, P. I.; Zarubina, I. G.

2016-02-01

Exposures of test samples of nuclear track emulsion were analyzed. The formation of high-multiplicity nuclear stars was observed upon irradiating nuclear track emulsions with ultrarelativistic muons. Kinematical features studied in this exposure of nuclear track emulsions for events of the muon-induced splitting of carbon nuclei to three α-particles are indicative of the nuclear-diffraction interaction mechanism.

The Aharonov–Bohm effect in scattering theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sitenko, Yu.A., E-mail: yusitenko@bitp.kiev.ua; Vlasii, N.D.

2013-12-15

The Aharonov–Bohm effect is considered as a scattering event with nonrelativistic charged particles of the wavelength which is less than the transverse size of an impenetrable magnetic vortex. The quasiclassical WKB method is shown to be efficient in solving this scattering problem. We find that the scattering cross section consists of two terms, one describing the classical phenomenon of elastic reflection and another one describing the quantum phenomenon of diffraction; the Aharonov–Bohm effect is manifested as a fringe shift in the diffraction pattern. Both the classical and the quantum phenomena are independent of the choice of a boundary condition atmore » the vortex edge, providing that probability is conserved. We show that a propagation of charged particles can be controlled by altering the flux of a magnetic vortex placed on their way. -- Highlights: •Aharonov–Bohm effect as a scattering event. •Impenetrable magnetic vortex of nonzero transverse size. •Scattering cross section is independent of a self-adjoint extension employed. •Classical phenomenon of elastic reflection and quantum phenomenon of diffraction. •Aharonov–Bohm effect as a fringe shift in the diffraction pattern.« less

I. I. Rabi, Nuclear Magnetic Resonance (NMR), and Radar

Science.gov Websites

dropdown arrow Site Map A-Z Index Menu Synopsis I. I. Rabi, Nuclear Magnetic Resonance (NMR), and Radar Nobel Prize in Physics "for his resonance method for recording the magnetic properties of atomic the atomic clock, the laser and the diagnostic scanning of the human body by nuclear magnetic

The early development of neutron diffraction: science in the wings of the Manhattan Project

PubMed Central

Mason, T. E.; Gawne, T. J.; Nagler, S. E.; Nestor, M. B.; Carpenter, J. M.

2013-01-01

Although neutron diffraction was first observed using radioactive decay sources shortly after the discovery of the neutron, it was only with the availability of higher intensity neutron beams from the first nuclear reactors, constructed as part of the Manhattan Project, that systematic investigation of Bragg scattering became possible. Remarkably, at a time when the war effort was singularly focused on the development of the atomic bomb, groups working at Oak Ridge and Chicago carried out key measurements and recognized the future utility of neutron diffraction quite independent of its contributions to the measurement of nuclear cross sections. Ernest O. Wollan, Lyle B. Borst and Walter H. Zinn were all able to observe neutron diffraction in 1944 using the X-10 graphite reactor and the CP-3 heavy water reactor. Subsequent work by Wollan and Clifford G. Shull, who joined Wollan’s group at Oak Ridge in 1946, laid the foundations for widespread application of neutron diffraction as an important research tool. PMID:23250059

Chemical Trends in Solid Alkali Pertechnetates.

PubMed

Weaver, Jamie; Soderquist, Chuck Z; Washton, Nancy M; Lipton, Andrew S; Gassman, Paul L; Lukens, Wayne W; Kruger, Albert A; Wall, Nathalie A; McCloy, John S

2017-03-06

Insight into the solid-state chemistry of pure technetium-99 ( 99 Tc) oxides is required in the development of a robust immobilization and disposal system for nuclear waste stemming from the radiopharmaceutical industry, from the production of nuclear weapons, and from spent nuclear fuel. However, because of its radiotoxicity and the subsequent requirement of special facilities and handling procedures for research, only a few studies have been completed, many of which are over 20 years old. In this study, we report the synthesis of pure alkali pertechnetates (sodium, potassium, rubidium, and cesium) and analysis of these compounds by Raman spectroscopy, X-ray absorption spectroscopy (XANES and EXAFS), solid-state nuclear magnetic resonance (static and magic angle spinning), and neutron diffraction. The structures and spectral signatures of these compounds will aid in refining the understanding of 99 Tc incorporation into and release from nuclear waste glasses. NaTcO 4 shows aspects of the relatively higher electronegativity of the Na atom, resulting in large distortions of the pertechnetate tetrahedron and deshielding of the 99 Tc nucleus relative to the aqueous TcO 4 - . At the other extreme, the large Cs and Rb atoms interact only weakly with the pertechnetate, have closer to perfect tetrahedral symmetry at the Tc atom, and have very similar vibrational spectra, even though the crystal structure of CsTcO 4 is orthorhombic while that of RbTcO 4 is tetragonal. Further trends are observed in the cell volume and quadrupolar coupling constant.

Chemical Trends in Solid Alkali Pertechnetates

DOE PAGES

Weaver, Jamie; Soderquist, Chuck Z.; Washton, Nancy M.; ...

2017-02-21

Insight into the solid-state chemistry of pure technetium-99 ( 99Tc) oxides is required in the development of a robust immobilization and disposal system for nuclear waste stemming from the radiopharmaceutical industry, from the production of nuclear weapons, and from spent nuclear fuel. However, because of its radiotoxicity and the subsequent requirement of special facilities and handling procedures for research, only a few studies have been completed, many of which are over 20 years old. In this study, we report the synthesis of pure alkali pertechnetates (sodium, potassium, rubidium, and cesium) and analysis of these compounds by Raman spectroscopy, X-ray absorptionmore » spectroscopy (XANES and EXAFS), solid-state nuclear magnetic resonance (static and magic angle spinning), and neutron diffraction. The structures and spectral signatures of these compounds will aid in refining the understanding of 99Tc incorporation into and release from nuclear waste glasses. NaTcO 4 shows aspects of the relatively higher electronegativity of the Na atom, resulting in large distortions of the pertechnetate tetrahedron and deshielding of the 99Tc nucleus relative to the aqueous TcO 4 –. At the other extreme, the large Cs and Rb atoms interact only weakly with the pertechnetate, have closer to perfect tetrahedral symmetry at the Tc atom, and have very similar vibrational spectra, even though the crystal structure of CsTcO 4 is orthorhombic while that of RbTcO 4 is tetragonal. Further trends are observed in the cell volume and quadrupolar coupling constant.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weaver, Jamie; Soderquist, Chuck Z.; Washton, Nancy M.

Insight into the solid-state chemistry of pure technetium-99 ( 99Tc) oxides is required in the development of a robust immobilization and disposal system for nuclear waste stemming from the radiopharmaceutical industry, from the production of nuclear weapons, and from spent nuclear fuel. However, because of its radiotoxicity and the subsequent requirement of special facilities and handling procedures for research, only a few studies have been completed, many of which are over 20 years old. In this study, we report the synthesis of pure alkali pertechnetates (sodium, potassium, rubidium, and cesium) and analysis of these compounds by Raman spectroscopy, X-ray absorptionmore » spectroscopy (XANES and EXAFS), solid-state nuclear magnetic resonance (static and magic angle spinning), and neutron diffraction. The structures and spectral signatures of these compounds will aid in refining the understanding of 99Tc incorporation into and release from nuclear waste glasses. NaTcO 4 shows aspects of the relatively higher electronegativity of the Na atom, resulting in large distortions of the pertechnetate tetrahedron and deshielding of the 99Tc nucleus relative to the aqueous TcO 4 –. At the other extreme, the large Cs and Rb atoms interact only weakly with the pertechnetate, have closer to perfect tetrahedral symmetry at the Tc atom, and have very similar vibrational spectra, even though the crystal structure of CsTcO 4 is orthorhombic while that of RbTcO 4 is tetragonal. Further trends are observed in the cell volume and quadrupolar coupling constant.« less

A single-solenoid pulsed-magnet system for single-crystal scattering studies

NASA Astrophysics Data System (ADS)

Islam, Zahirul; Capatina, Dana; Ruff, Jacob P. C.; Das, Ritesh K.; Trakhtenberg, Emil; Nojiri, Hiroyuki; Narumi, Yasuo; Welp, Ulrich; Canfield, Paul C.

2012-03-01

We present a pulsed-magnet system that enables x-ray single-crystal diffraction in addition to powder and spectroscopic studies with the magnetic field applied on or close to the scattering plane. The apparatus consists of a single large-bore solenoid, cooled by liquid nitrogen. A second independent closed-cycle cryostat is used for cooling samples near liquid helium temperatures. Pulsed magnetic fields close to ˜30 T with a zero-to-peak-field rise time of ˜2.9 ms are generated by discharging a 40 kJ capacitor bank into the magnet coil. The unique characteristic of this instrument is the preservation of maximum scattering angle (˜23.6°) on the entrance and exit sides of the magnet bore by virtue of a novel double-funnel insert. This instrument will facilitate x-ray diffraction and spectroscopic studies that are impractical, if not impossible, to perform using split-pair and narrow-opening solenoid magnets. Furthermore, it offers a practical solution for preserving optical access in future higher-field pulsed magnets.

Size-dependent magnetic anisotropy of PEG coated Fe3O4 nanoparticles; comparing two magnetization methods

NASA Astrophysics Data System (ADS)

Nayek, C.; Manna, K.; Imam, A. A.; Alqasrawi, A. Y.; Obaidat, I. M.

2018-02-01

Understanding the size dependent magnetic anisotropy of iron oxide nanoparticles is essential for the successful application of these nanoparticles in several technological and medical fields. PEG-coated iron oxide (Fe3O4) nanoparticles with core diameters of 12 nm, 15 nm, and 16 nm were synthesized by the usual co-precipitation method. The morphology and structure of the nanoparticles were investigated using transmission electron microscopy (TEM), high resolution transmission electron microscopy (HRTEM), selected area electron diffraction (SAED), and X-ray diffraction (XRD). Magnetic measurements were conducted using a SQUID. The effective magnetic anisotropy was calculated using two methods from the magnetization measurements. In the first method the zero-field-cooled magnetization versus temperature measurements were used at several applied magnetic fields. In the second method we used the temperature-dependent coercivity curves obtained from the zero-field-cooled magnetization versus magnetic field hysteresis loops. The role of the applied magnetic field on the effective magnetic anisotropy, calculated form the zero-field-cooled magnetization versus temperature measurements, was revealed. The size dependence of the effective magnetic anisotropy constant Keff obtained by the two methods are compared and discussed.

Nanolaminated FeCoB/FeCo and FeCoB/NiFe soft magnetic thin films with tailored magnetic properties deposited by magnetron sputtering

NASA Astrophysics Data System (ADS)

Hida, Rachid; Falub, Claudiu V.; Perraudeau, Sandrine; Morin, Christine; Favier, Sylvie; Mazel, Yann; Saghi, Zineb; Michel, Jean-Philippe

2018-05-01

Thin films based on layers of Fe52Co28B20 (at%), Fe65Co35 (at%), and Ni80Fe20 (at%) were deposited by sputtering on 8″ bare Si and Si/200 nm-thermal-SiO2 wafers by simultaneous use of two or more cathodes. Due to the continuous rotation of the substrate cage, such that the substrates faced different targets alternately, the multilayers consisted of stacks of alternating, nanometer-thick regular layers. The composition of the films was determined by Rutherford Backscattering Spectrometry (RBS) and Nuclear Reactive Analysis (NRA), whereas Plasma Profiling Time of Flight Mass Spectrometry (PP-TOFMS) analysis gave depth profile information about the chemical elements. The structural and magnetic properties of the films were investigated by X-ray Diffraction and by TEM analysis, B-H loop tracer and high frequency single coil technique permeametry, respectively. The linear dependence of the coercivity of these thin films versus the grain size can be explained by the random anisotropy model. These novel, composite soft magnetic multilayers, with tunable in-plane anisotropy, allow operation at tunable frequencies, as shown by broadband (between 100 MHz and 10 GHz) RF measurements that exhibit a classical Landau-Lifschitz-Gilbert (LLG) behavior and, combine the magnetic properties of the individual materials in an advantageous way. This article presents a method to produce nanostructured soft magnetic multilayers, the properties of which can easily be tuned by choosing the ratio of the individual nanolayers. In this way it's possible to combine soft magnetic materials with complementary properties, e.g. high saturation magnetization, low coercivity, high specific resistivity and low magnetostriction

On the novel double perovskites A2Fe(Mn0.5W0.5)O6 (A= Ca, Sr, Ba). Structural evolution and magnetism from neutron diffraction data

NASA Astrophysics Data System (ADS)

García-Ramos, Crisanto A.; Larrégola, Sebastián; Retuerto, María; Fernández-Díaz, María Teresa; Krezhov, Kiril; Alonso, José Antonio

2018-06-01

New A2Fe(Mn0.5W0.5)O6 (A = Ca, Sr, Ba) double perovskite oxides have been prepared by ceramic techniques. X-ray diffraction (XRD) complemented with neutron powder diffraction (NPD) indicate a structural evolution from monoclinic (space group P21/n) for A = Ca to cubic (Fm-3m) for A = Sr and finally to hexagonal (P63/mmc) for A = Ba as the perovskite tolerance factor increases with the A2+ ionic size. The three oxides present different tilting schemes of the FeO6 and (Mn,W)O6 octahedra. NPD data also show evidence in all cases of a considerable anti-site disordering, involving the partial occupancy of Fe positions by Mn atoms, and vice-versa. Magnetic susceptibility data show magnetic transitions below 50 K characterized by a strong irreversibility between ZFC and FC susceptibility curves. The A = Ca perovskite shows a G-type magnetic structure, with weak ordered magnetic moments due to the mentioned antisite disordering. Interesting magnetostrictive effects are observed for the Sr perovskite below 10 K.

Reentrant cluster glass and stability of ferromagnetism in the Ga2MnCo Heusler alloy

NASA Astrophysics Data System (ADS)

Samanta, Tamalika; Bhobe, P. A.; Das, A.; Kumar, A.; Nigam, A. K.

2018-05-01

We present here a detailed investigation into the magnetic ordering of a full Heusler alloy Ga2MnCo using dc and ac magnetization measurements, neutron diffraction, and neutron depolarization experiments. The crystal structure at room temperature was first confirmed to be L 21 using the highly intense synchrotron x-ray diffraction technique. Temperature-dependent magnetization reveals that Ga2MnCo enters a ferromagnetic (FM) state at TC=154 K, characterized by a sharp increase in magnetization and a plateaulike region hereafter. As the temperature is decreased further, a sharp drop in magnetization is observed at Tf=50 K, hinting toward an antiferromagnetic (AFM) phase change. Neutron diffraction (ND) recorded over the range of temperature from 6 to 300 K provides combined information regarding crystal as well as magnetic structure. Accordingly, an increase in the intensity of the ND pattern is seen at 150 K, signaling the onset of long-range FM order. However, there is no sign of the appearance of superlattice reflections corresponding to the AFM phase in the patterns recorded below 50 K. An unusual discontinuity in the unit-cell volume is seen around Tf, indicating a coupling of this second transition with the contraction of the lattice. Attempts to unravel this interesting magnetic behavior using ac susceptibility measurements led to the existence of glassy magnetism below Tf. Systematic analysis of the susceptibility results along with neutron depolarization measurement identifies the low-temperature phase as a reentrant cluster glass.

Magnetic structure of the antiferromagnetic Kondo lattice compounds CeRhAl 4Si 2 and CeIrAl 4Si 2

DOE PAGES

Ghimire, N. J.; Calder, S.; Janoschek, M.; ...

2015-06-01

In this article, we have investigated the magnetic ground state of the antiferromagnetic Kondo-lattice compounds CeMAl 4Si 2(M = Rh, Ir) using neutron powder diffraction. Although both of these compounds show two magnetic transitions T N1 and T N2 in the bulk properties measurements, evidence for magnetic long-range order was only found below the lower transition T N2. Analysis of the diffraction profiles reveals a commensurate antiferromagnetic structure with a propagation vector k = (0, 0, 1/2). The magnetic moment in the ordered state of CeRhAl 4Si 2 and CeIrAl 4Si 2 were determined to be 1.14(2) and 1.41(3) μB/Ce,more » respectively, and are parallel to the crystallographic c-axis in agreement with magnetic susceptibility measurements.« less

Temperature and composition phase diagram in the iron-based ladder compounds Ba 1 - x Cs x Fe 2 Se 3

DOE PAGES

Hawai, Takafumi; Nambu, Yusuke; Ohgushi, Kenya; ...

2015-05-28

We investigated the iron-based ladder compounds (Ba,Cs)Fe₂Se₃. Their parent compounds BaFe₂Se₃ and CsFe₂Se₃ have different space groups, formal valences of Fe, and magnetic structures. Electrical resistivity, specific heat, magnetic susceptibility, x-ray diffraction, and powder neutron diffraction measurements were conducted to obtain a temperature and composition phase diagram of this system. Block magnetism observed in BaFe₂Se₃ is drastically suppressed with Cs doping. In contrast, stripe magnetism observed in CsFe₂Se₃ is not so fragile against Ba doping. A new type of magnetic structure appears in intermediate compositions, which is similar to stripe magnetism of CsFe₂Se₃, but interladder spin configuration is different. Intermediatemore » compounds show insulating behavior, nevertheless a finite T-linear contribution in specific heat was obtained at low temperatures.« less

Temperature and composition phase diagram in the iron-based ladder compounds Ba1-xCsxFe2Se3

NASA Astrophysics Data System (ADS)

Hawai, Takafumi; Nambu, Yusuke; Ohgushi, Kenya; Du, Fei; Hirata, Yasuyuki; Avdeev, Maxim; Uwatoko, Yoshiya; Sekine, Yurina; Fukazawa, Hiroshi; Ma, Jie; Chi, Songxue; Ueda, Yutaka; Yoshizawa, Hideki; Sato, Taku J.

2015-05-01

We investigated the iron-based ladder compounds (Ba,Cs ) Fe2Se3 . Their parent compounds BaFe2Se3 and CsFe2Se3 have different space groups, formal valences of Fe, and magnetic structures. Electrical resistivity, specific heat, magnetic susceptibility, x-ray diffraction, and powder neutron diffraction measurements were conducted to obtain a temperature and composition phase diagram of this system. Block magnetism observed in BaFe2Se3 is drastically suppressed with Cs doping. In contrast, stripe magnetism observed in CsFe2Se3 is not so fragile against Ba doping. A new type of magnetic structure appears in intermediate compositions, which is similar to stripe magnetism of CsFe2Se3 , but interladder spin configuration is different. Intermediate compounds show insulating behavior, nevertheless a finite T -linear contribution in specific heat was obtained at low temperatures.

Magnetic and thermal behavior of a family of compositionally related zero-dimensional fluorides

NASA Astrophysics Data System (ADS)

Felder, Justin B.; Smith, Mark D.; Sefat, Athena; zur Loye, Hans-Conrad

2018-07-01

The mild hydrothermal crystal growth technique has been leveraged to synthesize four new zero-dimensional transition metal fluorides. Their structures were determined by single crystal X-ray diffraction and confirmed by powder X-ray diffraction. The thermal, optical, and magnetic properties were investigated and the presence of thermal polymorphism and antiferromagnetism were observed. In addition, the potential application of these materials as precursors for advanced functional materials was explored.

Simple and Inexpensive Classroom Demonstrations of Nuclear Magnetic Resonance and Magnetic Resonance Imaging.

ERIC Educational Resources Information Center

Olson, Joel A.; Nordell, Karen J.; Chesnik, Marla A.; Landis, Clark R.; Ellis, Arthur B.; Rzchowski, M. S.; Condren, S. Michael; Lisensky, George C.

2000-01-01

Describes a set of simple, inexpensive, classical demonstrations of nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI) principles that illustrate the resonance condition associated with magnetic dipoles and the dependence of the resonance frequency on environment. (WRM)

Coordination nano-space as stage of hydrogen ortho-para conversion.

PubMed

Kosone, Takashi; Hori, Akihiro; Nishibori, Eiji; Kubota, Yoshiki; Mishima, Akio; Ohba, Masaaki; Tanaka, Hiroshi; Kato, Kenichi; Kim, Jungeun; Real, José Antonio; Kitagawa, Susumu; Takata, Masaki

2015-07-01

The ability to design and control properties of nano-sized space in porous coordination polymers (PCPs) would provide us with an ideal stage for fascinating physical and chemical phenomena. We found an interconversion of nuclear-spin isomers for hydrogen molecule H2 adsorbed in a Hofmann-type PCP, {Fe(pz)[Pd(CN)4]} (pz=pyrazine), by the temperature dependence of Raman spectra. The ortho (o)-para (p) conversion process of H2 is forbidden for an isolated molecule. The charge density study using synchrotron radiation X-ray diffraction reveals the electric field generated in coordination nano-space. The present results corroborate similar findings observed on different systems and confirm that o-p conversion can occur on non-magnetic solids and that electric field can induce the catalytic hydrogen o-p conversion.

Elastic scattering of spin-polarized electrons and positrons from 23Na nuclei

NASA Astrophysics Data System (ADS)

Jakubassa-Amundsen, D. H.

2018-07-01

Differential cross sections and polarization correlations for the scattering of relativistic spin-polarized leptons from unpolarized ground-state sodium nuclei are calculated within the distorted-wave Born approximation (DWBA). Various nuclear ground-state charge distributions are probed. Besides potential scattering, also electric C2 and magnetic M1 and M3 transitions are taken into account. It is shown that even for a light nucleus such as 23Na there are considerable electron-positron differences at high collision energies and large scattering angles. In particular, the symmetry of the Sherman function with respect to a global sign change, as predicted by the second-order Born approximation when replacing electrons by positrons, is broken whenever the diffraction structures come into play beyond 100 MeV.

Hydroxyapatite nanocrystals: simple preparation, characterization and formation mechanism.

PubMed

Mohandes, Fatemeh; Salavati-Niasari, Masoud; Fathi, Mohammadhossein; Fereshteh, Zeinab

2014-12-01

Crystalline hydroxyapatite (HAP) nanoparticles and nanorods have been successfully synthesized via a simple precipitation method. To control the shape and particle size of HAP nanocrystals, coordination ligands derived from 2-hydroxy-1-naphthaldehyde were first prepared, characterized by Fourier transform infrared (FT-IR) and proton nuclear magnetic resonance ((1)H-NMR) spectroscopies, and finally applied in the synthesis process of HAP. On the other hand, the HAP nanocrystals were also characterized by several techniques including powder X-ray diffraction (XRD), field-emission scanning electron microscopy (FE-SEM) and transmission electron microscopy (TEM). According to the FE-SEM and TEM micrographs, it was found that the morphology and crystallinity of the HAP powders depended on the coordination mode of the ligands. Copyright © 2014 Elsevier B.V. All rights reserved.

Solid state amorphization kinetic of alpha lactose upon mechanical milling.

PubMed

Caron, Vincent; Willart, Jean-François; Lefort, Ronan; Derollez, Patrick; Danède, Florence; Descamps, Marc

2011-11-29

It has been previously reported that α-lactose could be totally amorphized by ball milling. In this paper we report a detailed investigation of the structural and microstructural changes by which this solid state amorphization takes place. The investigations have been performed by Powder X-ray Diffraction, Solid State Nuclear Magnetic Resonance ((13)C CP-MAS) and Differential Scanning Calorimetry. The results reveal the structural complexity of the material in the course of its amorphization so that it cannot be considered as a simple mixture made of a decreasing crystalline fraction and an increasing amorphous fraction. Heating this complexity can give rise to a fully nano-crystalline material. The results also show that chemical degradations upon heating are strongly connected to the melting process. Copyright © 2011 Elsevier Ltd. All rights reserved.

Simple One-Pot Syntheses and Characterizations of Free Fluoride- and Bifluoride-Containing Polymers Soluble in Non-Aqueous Solvents

PubMed Central

Steinle, Dominik; Friedrich, Laura; Bevilacqua, Nico; von Hauff, Elizabeth; Gschwind, Fabienne

2016-01-01

One of the problems that arise with bifluoride- or fluoride-containing compounds is their poor solubility in non-aqueous solvents. We report herein a facile one-pot synthesis and the chemical analysis of fluoride/bifluoride-containing polymers, which are soluble in MeCN. Different polymers, such as Polyvinylacetate or Polyethylene imine and saccharides, such as maltodextrin, were complexed with ammonium (bi)fluoride using hydrogen bonds to form the desired (bi)fluoride-containing compounds. The newly formed hydrogen bonding (bi)fluoride-doped polymer matrices were analyzed using infrared and nuclear magnetic resonance spectroscopies, and X-ray diffraction. The promising materials also underwent impedance spectroscopy, conductivity measurements and preliminary tests as electrolytes for room temperature fluoride ion batteries along with an analysis of their performance. PMID:28774092

Rotator side chains trigger cooperative transition for shape and function memory effect in organic semiconductors.

PubMed

Chung, Hyunjoong; Dudenko, Dmytro; Zhang, Fengjiao; D'Avino, Gabriele; Ruzié, Christian; Richard, Audrey; Schweicher, Guillaume; Cornil, Jérôme; Beljonne, David; Geerts, Yves; Diao, Ying

2018-01-18

Martensitic transition is a solid-state phase transition involving cooperative movement of atoms, mostly studied in metallurgy. The main characteristics are low transition barrier, ultrafast kinetics, and structural reversibility. They are rarely observed in molecular crystals, and hence the origin and mechanism are largely unexplored. Here we report the discovery of martensitic transition in single crystals of two different organic semiconductors. In situ microscopy, single-crystal X-ray diffraction, Raman and nuclear magnetic resonance spectroscopy, and molecular simulations combined indicate that the rotating bulky side chains trigger cooperative transition. Cooperativity enables shape memory effect in single crystals and function memory effect in thin film transistors. We establish a molecular design rule to trigger martensitic transition in organic semiconductors, showing promise for designing next-generation smart multifunctional materials.

Neutron diffraction and ferromagnetic resonance studies on plasma-sprayed MnZn ferrite films

NASA Astrophysics Data System (ADS)

Yan, Q. Y.; Gambino, R. J.; Sampath, S.; Huang, Q.

2005-02-01

The magnetic properties of MnZn ferrites are affected by the plasma spray process. It is found that improvements can be made by annealing the ferrite films at 500°C-800°C. The annealing induced magnetic property changes are studied by neutron diffraction and ferromagnetic resonance techniques. The increase of the saturation magnetization is attributed to the cation ordering within the spinel lattice, which increases the magnetic moment per ferrite formula. The refinements on the neutron diffraction data suggest that the redistribution of the cation during annealing neither starts from a fully disordered state nor ends to a fully ordered state. The decrease of the coercivity is analyzed with the domain wall pinning model. The measurements on the magnetostriction and residual stress indicate that coercive mechanisms arising from the magnetoelastic energy term are not dominant in these ferrite films. The decrease of the coercivity for annealed ferrite films is mainly attributed to the decrease of the effective anisotropic field, which may result from the homogenization of the film composition and the reduction of the microstructural discontinuity (e.g., cracks, voids, and splat boundaries).

Stable tetragonal phase and magnetic properties of Fe-doped HfO2 nanoparticles

NASA Astrophysics Data System (ADS)

Sales, T. S. N.; Cavalcante, F. H. M.; Bosch-Santos, B.; Pereira, L. F. D.; Cabrera-Pasca, G. A.; Freitas, R. S.; Saxena, R. N.; Carbonari, A. W.

2017-05-01

In this paper, the effect in structural and magnetic properties of iron doping with concentration of 20% in hafnium dioxide (HfO2) nanoparticles is investigated. HfO2 is a wide band gap oxide with great potential to be used as high-permittivity gate dielectrics, which can be improved by doping. Nanoparticle samples were prepared by sol-gel chemical method and had their structure, morphology, and magnetic properties, respectively, investigated by X-ray diffraction (XRD), transmission electron microscopy (TEM) and scanning electron microscopy (SEM) with electron back scattering diffraction (EBSD), and magnetization measurements. TEM and SEM results show size distribution of particles in the range from 30 nm to 40 nm with small dispersion. Magnetization measurements show the blocking temperature at around 90 K with a strong paramagnetic contribution. XRD results show a major tetragonal phase (94%).

Structural and magnetic properties of FeCoC system obtained by mechanical alloying

NASA Astrophysics Data System (ADS)

Rincón Soler, A. I.; Rodríguez Jacobo, R. R.; Medina Barreto, M. H.; Cruz-Muñoz, B.

2017-11-01

Fe96-XCoXC4 (x = 0, 10, 20, 30, 40 at. %) alloys were obtained by mechanical alloying of Fe, C and Co powders using high-energy milling. The structural and magnetic properties of the alloy system were analyzed by X-ray diffraction, Scanning Electron Microscopy (SEM), Vibrating Sample Magnetometer (VSM) and Mössbauer Spectrometry at room temperature. The X-ray diffraction patterns showed a BCC-FeCoC structure phase for all samples, as well as a lattice parameter that slightly decreases with Co content. The saturation magnetization and coercive field were analyzed as a function of Co content. The Mössbauer spectra were fitted with a hyperfine magnetic field distribution showing the ferromagnetic behavior and the disordered character of the samples. The mean hyperfine magnetic field remained nearly constant (358 T) with Co content.

Study of magnetic behavior in hexagonal-YMn1-xFexO3 (x=0 and 0.2) nanoparticles using remanent magnetization curves

NASA Astrophysics Data System (ADS)

Chauhan, Samta; Singh, Amit Kumar; Srivastava, Saurabh Kumar; Chandra, Ramesh

2016-09-01

We have studied the magnetic behavior of YMn1-xFexO3 (x=0 and 0.2) nanoparticles synthesized by conventional solid state reaction method. The as-synthesized nanoparticles were found to have hexagonal phase with P63cm space group confirmed by X-Ray diffraction. The particle size was found to be ~70 nm as confirmed by both X-Ray diffraction and Transmission Electron Microscopy. DC magnetization and memory effect measurements imply that the h-YMnO3 nanoparticles bear a resemblance to super spin-glass state following de Almeida-Thouless like behavior which is being suppressed by Fe-doping. The Fe-doping in YMnO3 enhances the antiferromagnetic (AFM) transition temperature TN to ~79 K and induces a new magnetic state due to the surface spins which is realized as diluted antiferromagnet in a field (DAFF) as explored by the thermoremanent and isothermoremanent magnetization measured with different applied magnetic field.

Sensitivity Analysis and Simulation of Theoretical Response of Ceramics to Strong Magnetic Fields

DTIC Science & Technology

2016-09-01

Weapons and Materials Research Directorate, ARL Approved for public release; distribution is unlimited. FOR OFFICIAL USE ONLY...Compounds. 2013;551:568–577. 4. Terada N, Suzuki HS, Suzuki TS, Kitazawa H, Sakka Y, Kaneko K, Metoki N. In situ neutron diffraction study of...TS, Kitazawa H, Sakka Y, Kaneko K, Metoki N. Neutron diffraction texture analysis for alpha-Al2O3 oriented by a high magnetic field and sintering

Neutron diffraction studies on cobalt substituted BiFeO3

NASA Astrophysics Data System (ADS)

Ray, J.; Biswal, A. K.; Acharya, S.; Babu, P. D.; Siruguri, V.; Vishwakarma, P. N.

2013-02-01

A dilute concentration of single phase Cobalt substituted Bismuth ferrite, BiFe1-XCoXO3; (x=0, 0.02) is prepared by sol-gel auto combustion method. Room temperature neutron diffraction patterns show no change in the crystal and magnetic structure upon cobalt doping. The calculation of magnetic moments shows 3.848 μB for Fe+ and 2.85 μB for Co3+. The cobalt is found to be in intermediate spin state.

Growth and physicochemical properties of second-order nonlinear optical 2-amino-5-chloropyridinium trichloroacetate single crystals

NASA Astrophysics Data System (ADS)

Renugadevi, R.; Kesavasamy, R.

2015-09-01

The growth of organic nonlinear optical (NLO) crystal 2-amino-5-chloropyridinium trichloroacetate (2A5CPTCA) has been synthesized and single crystals have been grown from methanol solvent by slow evaporation technique. The grown crystals were subjected to various characterization analyses in order to find out the suitability for device fabrication. Single crystal X-ray diffraction analysis reveals that 2A5CPTCA crystallizes in monoclinic system with the space group Cc. The grown crystal was further characterized by Fourier transform infrared spectral analysis to find out the functional groups. The nuclear magnetic resonance spectroscopy is a research technique that exploits the magnetic properties of certain atomic nuclei. The optical transparency window in the visible and near-IR (200--1100 nm) regions was found to be good for NLO applications. Thermogravimetric analysis and differential thermal analysis were used to study its thermal properties. The powder second harmonic generation efficiency measurement with Nd:YAG laser (1064 nm) radiation shows that the highest value when compared with the standard potassium dihydrogen phosphate crystal.

Synthesis and characterization of gadolinium nanosheets with bound rose bengal: potential use in photodynamic therapy and MRI

NASA Astrophysics Data System (ADS)

Stefanakis, Dimitrios; Seimenis, Ioannis; Ghanotakis, Demetrios

2014-11-01

Gadolinium (Gd) is a trivalent paramagnetic element, making it useful as a contrast agent for magnetic resonance imaging (MRI). Gd2(OH)5NO3· xH2O belongs to a new family of nanosheets. The advantages of these materials are their relatively small size, paramagnetic behavior, stability, lack of toxicity and highly ordered structure. In the present study, Gd2(OH)5NO3 nanosheets were functionalized with amino groups and modified with the photosensitiser rose bengal (RB). This surface modification makes possible the use of the nanosheets in photodynamic therapy. The coated nanosheets were characterized with X-ray diffraction, fourier transform infrared spectroscopy and UV-Vis spectroscopy, as well as transmission electron microscopy. The possibility of using these nanosheets as potential spin-lattice ( T 1) and spin-spin relaxation ( T 2) contrast agents in MRI was evaluated at 1.5 T. Finally, the ability of Gd2(OH)5NO3-RB to catalyze photooxidization reactions was examined using nuclear magnetic resonance (1H NMR) and gas chromatography-mass spectrometry (GC/MS).

Crystal growth, structural, optical, spectral and thermal studies of tris(L-phenylalanine)L-phenylalaninium nitrate: a new organic nonlinear optical material.

PubMed

Prakash, M; Geetha, D; Lydia Caroline, M

2011-10-15

Tris(L-phenylalanine)L-phenylalaninium nitrate, C(9)H(12)NO(2)(+)·NO(3)(-)·3C(9)H(11)NO(2) (TPLPN), a new organic nonlinear optical material was grown from aqueous solution by slow evaporation solution growth at room temperature. The grown crystals were subjected to powder X-ray diffraction and single crystal X-ray diffraction studies to confirm the crystalline nature and crystal structure. The modes of vibration of different molecular groups present in TPLPN have been identified by FTIR spectral analysis. The presence of hydrogen and carbon in the grown crystal were confirmed by using proton and carbon nuclear magnetic resonance (NMR) spectral analyses. The optical transmission spectral study establishes good transmitting ability of the crystal in the entire visible region. The thermogravimetric (TG) and differential thermal analyses (DTA) were carried out to understand the thermal stability of the sample. The nonlinear optical property of the compound observed using Kurtz powder second harmonic generation test assets the suitability of the grown material for the frequency conversion of laser radiation of Nd:YAG. Copyright © 2011 Elsevier B.V. All rights reserved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, C.W.B.; Das Gupta, S.K.; Mattai, J.

Solid-state nuclear magnetic resonance (NMR) spectroscopy and X-ray powder diffraction were used to investigate the mechanism of trehalose (TRE) stabilization of lipid bilayers. Calorimetric investigation of dry TRE-stabilized bilayers reveals a first-order phase transition at temperatures similar to the transition of hydrated lipid bilayers. X-ray diffraction studies show that dry mixtures of TRE and 1,2-dipalmitoyl-sn-phosphatidylcholine (DPPC) have a lamellar structure with excess crystalline TRE being present. {sup 2}H spectra of the choline headgroup show hindered molecular motions as compared to dry DPPC alone, and {sup 13}C spectra of the sn-2-carbonyl show rigid lattice powder patterns indicting very little motion atmore » the headgroup and interfacial regions. Thus, the sugar interacts extensively with the hydrophilic regions of the lipid, from the choline and the phosphate moieties in the headgroup to the glycerol and carbonyls in the interfacial region. The authors postulate that the sugar and the lipid form an extensive hydrogen-bonded network with the sugar acting as a spacer to expand the distance between lipids in the bilayer. The fluididty of the hydrophobic region in the L{sub {lambda}} phase together with the bilayer stabilization at the headgroup contributes to membrane viability in anhydrobiotic organisms.« less

Exploiting the Synergy of Powder X-ray Diffraction and Solid-State NMR Spectroscopy in Structure Determination of Organic Molecular Solids

PubMed Central

2013-01-01

We report a strategy for structure determination of organic materials in which complete solid-state nuclear magnetic resonance (NMR) spectral data is utilized within the context of structure determination from powder X-ray diffraction (XRD) data. Following determination of the crystal structure from powder XRD data, first-principles density functional theory-based techniques within the GIPAW approach are exploited to calculate the solid-state NMR data for the structure, followed by careful scrutiny of the agreement with experimental solid-state NMR data. The successful application of this approach is demonstrated by structure determination of the 1:1 cocrystal of indomethacin and nicotinamide. The 1H and 13C chemical shifts calculated for the crystal structure determined from the powder XRD data are in excellent agreement with those measured experimentally, notably including the two-dimensional correlation of 1H and 13C chemical shifts for directly bonded 13C–1H moieties. The key feature of this combined approach is that the quality of the structure determined is assessed both against experimental powder XRD data and against experimental solid-state NMR data, thus providing a very robust validation of the veracity of the structure. PMID:24386493

Vibrational cross-angles in condensed molecules: a structural tool.

PubMed

Chen, Hailong; Zhang, Yufan; Li, Jiebo; Liu, Hongjun; Jiang, De-En; Zheng, Junrong

2013-09-05

The fluctuations of three-dimensional molecular conformations of a molecule in different environments play critical roles in many important chemical and biological processes. X-ray diffraction (XRD) techniques and nuclear magnetic resonance (NMR) methods are routinely applied to monitor the molecular conformations in condensed phases. However, some special requirements of the methods have prevented them from exploring many molecular phenomena at the current stage. Here, we introduce another method to resolve molecular conformations based on an ultrafast MIR/T-Hz multiple-dimensional vibrational spectroscopic technique. The model molecule (4'-methyl-2'-nitroacetanilide, MNA) is prepared in two of its crystalline forms and liquid samples. Two polarized ultrafast infrared pulses are then used to determine the cross-angles of vibrational transition moment directions by exciting one vibrational band and detecting the induced response on another vibrational band of the molecule. The vibrational cross-angles are then converted into molecular conformations with the aid of calculations. The molecular conformations determined by the method are supported by X-ray diffraction and molecular dynamics simulation results. The experimental results suggest that thermodynamic interactions with solvent molecules are not altering the molecular conformations of MNA in the solutions to control their ultimate conformations in the crystals.

Exploiting the Synergy of Powder X-ray Diffraction and Solid-State NMR Spectroscopy in Structure Determination of Organic Molecular Solids.

PubMed

Dudenko, Dmytro V; Williams, P Andrew; Hughes, Colan E; Antzutkin, Oleg N; Velaga, Sitaram P; Brown, Steven P; Harris, Kenneth D M

2013-06-13

We report a strategy for structure determination of organic materials in which complete solid-state nuclear magnetic resonance (NMR) spectral data is utilized within the context of structure determination from powder X-ray diffraction (XRD) data. Following determination of the crystal structure from powder XRD data, first-principles density functional theory-based techniques within the GIPAW approach are exploited to calculate the solid-state NMR data for the structure, followed by careful scrutiny of the agreement with experimental solid-state NMR data. The successful application of this approach is demonstrated by structure determination of the 1:1 cocrystal of indomethacin and nicotinamide. The 1 H and 13 C chemical shifts calculated for the crystal structure determined from the powder XRD data are in excellent agreement with those measured experimentally, notably including the two-dimensional correlation of 1 H and 13 C chemical shifts for directly bonded 13 C- 1 H moieties. The key feature of this combined approach is that the quality of the structure determined is assessed both against experimental powder XRD data and against experimental solid-state NMR data, thus providing a very robust validation of the veracity of the structure.

Structural, antimicrobial and computational characterization of 1-benzoyl-3-(5-chloro-2-hydroxyphenyl)thiourea.

PubMed

Atiş, Murat; Karipcin, Fatma; Sarıboğa, Bahtiyar; Taş, Murat; Çelik, Hasan

2012-12-01

A new thiourea derivative, 1-benzoyl-3-(5-chloro-2-hydroxyphenyl)thiourea (bcht) has been synthesized from the reaction of 2-amino-4-chlorophenol with benzoyl isothiocyanate. The title compound has been characterized by elemental analyses, FT-IR, (13)C, (1)H NMR spectroscopy and the single crystal X-ray diffraction analysis. The structure of bcht derived from X-ray diffraction of a single crystal has been presented. The structural and spectroscopic data of the molecule in the ground state were calculated by using density functional method using 6-311++G(d,p) basis set. The complete assignments of all vibrational modes were performed on the basis of the total energy distributions (TED). Isotropic chemical shifts ((13)C NMR and (1)H NMR) were calculated using the gauge-invariant atomic orbital (GIAO) method. Theoretical calculations of bond parameters, harmonic vibration frequencies and nuclear magnetic resonance are in good agreement with experimental results. The UV absorption spectra of the compound that dissolved in ACN and MeOH were recorded. Bcht was also screened for antimicrobial activity against pathogenic bacteria and fungi. Copyright © 2012 Elsevier B.V. All rights reserved.

Structure and vibrational spectra of melaminium bis(trifluoroacetate) trihydrate: FT-IR, FT-Raman and quantum chemical calculations.

PubMed

Sangeetha, V; Govindarajan, M; Kanagathara, N; Marchewka, M K; Gunasekaran, S; Anbalagan, G

2014-05-05

Melaminium bis(trifluoroacetate) trihydrate (MTFA), an organic material has been synthesized and single crystals of MTFA have been grown by the slow solvent evaporation method at room temperature. X-ray powder diffraction analysis confirms that MTFA crystal belongs to the monoclinic system with space group P2/c. The molecular geometry, vibrational frequencies and intensity of the vibrational bands have been interpreted with the aid of structure optimization based on density functional theory (DFT) B3LYP method with 6-311G(d,p) and 6-311++G(d,p) basis sets. The X-ray diffraction data have been compared with the data of optimized molecular structure. The theoretical results show that the crystal structure can be reproduced by optimized geometry and the vibrational frequencies show good agreement with the experimental values. The nuclear magnetic resonance (NMR) chemical shift of the molecule has been calculated by the gauge independent atomic orbital (GIAO) method and compared with experimental results. HOMO-LUMO, and other related molecular and electronic properties are calculated. The Mulliken and NBO charges have also been calculated and interpreted. Copyright © 2014 Elsevier B.V. All rights reserved.

Magnetic anisotropy in the frustrated spin-chain compound β - TeVO 4

DOE PAGES

Weickert, F.; Harrison, Neil; Scott, Brian Lindley; ...

2016-08-01

In this paper, isotropic and anisotropic magnetic behavior of the frustrated spin-chain compound β-TeVO 4 is reported. Three magnetic transitions observed in zero magnetic field are tracked in fields applied along different crystallographic directions using magnetization, heat capacity, and magnetostriction measurements. Qualitatively different temperature-field diagrams are obtained below 10 T for the field applied along a or b and along c, respectively. In contrast, a nearly isotropic high-field phase emerges above 18 T and persists up to the saturation that occurs around 22.5 T. Upon cooling in low fields, the transitions at T N1 and T N2 toward the spin-density-wavemore » and stripe phases are of the second order, whereas the transition at T N3 toward the helical state is of the first order and entails a lattice component. Our microscopic analysis identifies frustrated J 1-J 2 spin chains with a sizable antiferromagnetic interchain coupling in the bc plane and ferromagnetic couplings along the a direction. The competition between these ferromagnetic interchain couplings and the helical order within the chain underlies the incommensurate order along the a direction, as observed experimentally. While a helical state is triggered by the competition between J 1 and J 2 within the chain, the plane of the helix is not uniquely defined because of competing magnetic anisotropies. Finally, using high-resolution synchrotron diffraction and 125Te nuclear magnetic resonance, we also demonstrate that the crystal structure of β-TeVO 4 does not change down to 10 K, and the orbital state of V 4+ is preserved.« less

Structural, microstructural and magnetic evolution in cryo milled carbon doped MnAl.

PubMed

Fang, Hailiang; Cedervall, Johan; Hedlund, Daniel; Shafeie, Samrand; Deledda, Stefano; Olsson, Fredrik; von Fieandt, Linus; Bednarcik, Jozef; Svedlindh, Peter; Gunnarsson, Klas; Sahlberg, Martin

2018-02-06

The low cost, rare earth free τ-phase of MnAl has high potential to partially replace bonded Nd 2 Fe 14 B rare earth permanent magnets. However, the τ-phase is metastable and it is experimentally difficult to obtain powders suitable for the permanent magnet alignment process, which requires the fine powders to have an appropriate microstructure and high τ-phase purity. In this work, a new method to make high purity τ-phase fine powders is presented. A high purity τ-phase Mn 0.55 Al 0.45 C 0.02 alloy was synthesized by the drop synthesis method. The drop synthesized material was subjected to cryo milling and  followed by a flash heating process. The crystal structure and microstructure of the drop synthesized, cryo milled and flash heated samples were studied by X-ray in situ powder diffraction, scanning electron microscopy, X-ray energy dispersive spectroscopy and electron backscatter diffraction. Magnetic properties and magnetic structure of the drop synthesized, cryo milled, flash heated  samples were characterized by magnetometry and neutron powder diffraction, respectively. The results reveal that the 2 and 4 hours cryo milled and flash heated samples both exhibit high τ-phase purity and micron-sized round particle shapes. Moreover, the flash heated samples display high saturation magnetization as well as increased coercivity.

Synthesis, structure, and properties of chromium(III) sulfates

NASA Astrophysics Data System (ADS)

Atkinson, Tom David; Fjellvåg, Helmer; Kjekshus, Arne

2004-11-01

Reactions between CrO 3 and 50- 95 wt% H2SO4 are studied at temperatures up to the boiling point of the acid. Depending on the H 2SO 4 concentration and synthesis temperature, Cr 2(SO 4) 3, CrH(SO 4) 2, (H 3O)[Cr(SO 4) 2], Cr 2(SO 4) 3·H 2SO 4·4H 2O (gross formula), and (H 5O 2)[Cr(H 2O) 2(SO 4) 2], are obtained as identified reaction products in addition to the incompletely characterized chromic-sulfuric acid. The Cr III-based sulfates are characterized by X-ray powder diffraction, thermogravimetric, and magnetic susceptibility measurements. The nuclear and magnetic structures of Cr 2(SO 4) 3 at 10 K are determined, the structure type of (H 3O)[Cr(SO 4) 2] is established, and the crystal structure of (H 5O 2)[Cr(H 2O) 2(SO 4) 2] is firmly stipulated. Magnetic susceptibility data suggest that the samples of CrH(SO 4) 2 are in a micro-crystalline rather than in an amorphous state. All Cr III-based sulfates synthesized in this study appear to undergo paramagnetic-to-antiferromagnetic transitions at around 10 K.

High pressure floating zone growth and structural properties of ferrimagnetic quantum paraelectric BaFe 12O 19

DOE PAGES

Cao, Huibo B.; Zhao, Zhiying Y.; Lee, Minseong; ...

2015-06-24

High quality single crystals of BaFemore » $$_{12}$$O$$_{19}$$ were grown with the floating zone technique in flowing oxygen atmosphere of 100 atm. BaFe$$_{12}$$O$$_{19}$$ melts incongruently in atmospheric oxygen. High oxygen pressure above 50 atm modifies the melting behavior to be congruent, which allows for the crystal growth with the crucible-free floating zone technique. Single crystal neutron diffraction were measured to determine the nuclear and magnetic structures at 4 K and 295 K. At both temperatures, there exist local electric dipoles formed by the off-mirror-plane displacements of magnetic Fe$$^{3+}$$ ions at the bypyramidal sites. The displacement at 4 K is about half of that at room temperature. The temperature dependence of specific heat shows no anomaly associated with the long range polar ordering in the temperature range of 1.90-300~K. The inverse dielectric constant along the c-axis shows a $T^2$ temperature dependence below 20 K and then following by a plateau below 10 K, recognized as quantum paraelectric features. Further cooling below 1.4 K, the upturn region was clearly revealed and indicates BaFe$$_{12}$$O$$_{19}$$ is a critical quantum paraelectric system with Fe$$^{3+}$$ ions playing roles for both magnetic and electric dipoles.« less

Structural Chemistry of Functional Nano-Materials for Environmental Remediation

NASA Astrophysics Data System (ADS)

John, Jesse

Nano minerals and materials have become a focal point of Geoscience research due to the unique physical, chemical, optical, magnetic, electronic, and reactive properties. Many of these desired properties in Nano technology have the potential to impact society by improving remediation, photovoltaics, medicine and the sustainability limits on Earth for an expanding population. Despite the progress made on the discovery, synthesis, and manufacturing of numerous nano-materials, the atomistic cause of their desired properties is poorly understood. To gain a better understanding of the atomic structure of nano materials and their bulk counterparts we combined several crystallographic techniques to solve the crystal structure and performed formative characterization to ascertain the atomistic source of the desired application. These strategies and tools can be used to expedite discovery, development and the goals of the National Nanotechnology Initiative (NNI). This thesis will cover the optimization of the reaction conditions and resolve the atomic structure to produce pure synthetic nano nolanite (SNN) Fe2V3O7OH. The complete structural model of nolanite was described from a bulk mineral to the nano-regime using a combination of single crystal X-ray diffraction (SC-XRD), pair distribution function analysis (PDF) and neutron powder diffraction from synthetic material. Nolanite is isostructural to ferrihydrite, a ubiquitous nano-mineral, both of these mineral structures have been the subject for debate for the last half of century. A comparative study of the isostructural minerals nolanite, akdalaite and ferrihydrite was utilized to address the discrepancies and consolidate the structural models. Lastly, we developed a structural model for nano-crystalline titanium-based material; mono sodium titanate (MST) using high energy total X-ray scattering and PDF coupled with scanning transmission electron microscope (STEM). In the USA we have accumulated over 76000 metric tons of nuclear waste and the nuclear industry continues to generate an additional 2000 tons every year. MST is the baseline material used for to effectively remove 90Sr and alpha-emitting actinides from strongly alkaline, high-level nuclear waste solutions at the Savannah River site. Despite the success of MST in the remediation of high-level radioactive waste (HLW) the process by which the metals are structurally incorporated is still poorly understood, and there is still no structural model. This study aims to better understand the ion exchange mechanism of MST by generating a structural model derived from synchrotron X-ray powder diffraction data.

Radius anomaly in the diffraction model for heavy-ion elastic scattering

NASA Astrophysics Data System (ADS)

Pandey, L. N.; Mukherjee, S. N.

1984-04-01

The elastic scattering of heavy ions, 20Ne on 208Pb, 20Ne on 235U, 84Kr on 208Pb, and 84Kr on 232Th, is examined within the framework of Frahn's diffraction model. An analysis of the experiment using the "quarter point recipe" of the expected Fresnel cross sections yields a larger radius for 208Pb than the radii for 235U and 232Th. It is shown that inclusion of the nuclear deformation in the model removes the above anomaly in the radii, and the assumption of smooth cutoff of the angular momentum simultaneously leads to a better fit to elastic scattering data, compared to those obtained by the earlier workers on the assumption of sharp cutoff. [NUCLEAR REACTIONS Elastic scattering, 20Ne+208Pb (161.2 MeV), 20Ne+235U (175 MeV), 84Kr+208Pb (500 MeV), 84Kr+232Th (500 MeV), diffraction model, nuclear deformation.

Valence fluctuating compound α-YbAlB4 studied by 174Yb Mössbauer spectroscopy and X-ray diffraction using synchrotron radiation

NASA Astrophysics Data System (ADS)

Oura, Momoko; Ikeda, Shugo; Masuda, Ryo; Kobayashi, Yasuhiro; Seto, Makoto; Yoda, Yoshitaka; Hirao, Naohisa; Kawaguchi, Saori I.; Ohishi, Yasuo; Suzuki, Shintaro; Kuga, Kentaro; Nakatsuji, Satoru; Kobayashi, Hisao

2018-05-01

The structural properties and the Yb 4 f electronic state of the valence fluctuating α-YbAlB4 have been investigated by powder X-ray diffraction under pressure and 174Yb Mössbauer spectroscopy with magnetic fields at low temperature, respectively, using synchrotron radiation. Powder X-ray diffraction patterns showed that the crystal structure does not change up to p ∼ 18 GPa at 8 K and the volume decreases smoothly. However, the pressure dependence of the difference in the structure factor between the (060) and (061) diffraction lines changes at ∼ 3.4 GPa, indicating the change of atomic coordination parameters. The 174Yb Mössbauer spectroscopy measurements at 2 K with 10 and 50 kOe suggest that the electrical quadrupole interaction changes by applied magnetic fields.

Magnetostructural transition in Fe{sub 5}SiB{sub 2} observed with neutron diffraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cedervall, Johan, E-mail: johan.cedervall@kemi.uu.se; Kontos, Sofia; Hansen, Thomas C.

2016-03-15

The crystal and magnetic structure of Fe{sub 5}SiB{sub 2} has been studied by a combination of X-ray and neutron diffraction. Also, the magnetocrystalline anisotropy energy constant has been estimated from magnetisation measurements. High quality samples have been prepared using high temperature synthesis and subsequent heat treatment protocols. The crystal structure is tetragonal within the space group I4/mcm and the compound behaves ferromagnetically with a Curie temperature of 760 K. At 172 K a spin reorientation occurs in the compound and the magnetic moments go from aligning along the c-axis (high T) down to the ab-plane (low T). The magnetocrystalline anisotropymore » energy constant has been estimated to 0.3 MJ/m{sup 3} at 300 K. - Highlights: • The crystal and magnetic structure of Fe{sub 5}SiB{sub 2} has been studied by diffraction. • At 172 K a spin reorientation occurs in the compound. • The magnetic moments are aligned along the c-axis at high T. • The magnetic moments are aligned in the ab-plane at low T. • The magnetocrystalline anisotropy energy constant has been estimated to 0.3 MJ/m{sup 3}.« less

Synthesis of linear low-density polyethylene-g-poly (acrylic acid)-co-starch/organo-montmorillonite hydrogel composite as an adsorbent for removal of Pb(ΙΙ) from aqueous solutions.

PubMed

Irani, Maryam; Ismail, Hanafi; Ahmad, Zulkifli; Fan, Maohong

2015-01-01

The purpose of this work is to remove Pb(II) from the aqueous solution using a type of hydrogel composite. A hydrogel composite consisting of waste linear low density polyethylene, acrylic acid, starch, and organo-montmorillonite was prepared through emulsion polymerization method. Fourier transform infrared spectroscopy (FTIR), Solid carbon nuclear magnetic resonance spectroscopy (CNMR)), silicon(-29) nuclear magnetic resonance spectroscopy (Si NMR)), and X-ray diffraction spectroscope ((XRD) were applied to characterize the hydrogel composite. The hydrogel composite was then employed as an adsorbent for the removal of Pb(II) from the aqueous solution. The Pb(II)-loaded hydrogel composite was characterized using Fourier transform infrared spectroscopy (FTIR)), scanning electron microscopy (SEM)), and X-ray photoelectron spectroscopy ((XPS)). From XPS results, it was found that the carboxyl and hydroxyl groups of the hydrogel composite participated in the removal of Pb(II). Kinetic studies indicated that the adsorption of Pb(II) followed the pseudo-second-order equation. It was also found that the Langmuir model described the adsorption isotherm better than the Freundlich isotherm. The maximum removal capacity of the hydrogel composite for Pb(II) ions was 430mg/g. Thus, the waste linear low-density polyethylene-g-poly (acrylic acid)-co-starch/organo-montmorillonite hydrogel composite could be a promising Pb(II) adsorbent. Copyright © 2014. Published by Elsevier B.V.

Magnetic properties of tapiolite (FeTa2O6); a quasi two-dimensional (2D) antiferromagnet

NASA Astrophysics Data System (ADS)

Chung, E. M. L.; Lees, M. R.; McIntyre, G. J.; Wilkinson, C.; Balakrishnan, G.; Hague, J. P.; Visser, D.; McK Paul, D.

2004-11-01

The possibilities of two-dimensional (2D) short-range magnetic correlations and frustration effects in the mineral tapiolite are investigated using bulk-property measurements and neutron Laue diffraction. In this study of the magnetic properties of synthetic single-crystals of tapiolite, we find that single crystals of FeTa2O6 order antiferromagnetically at TN = 7.95 ± 0.05 K, with extensive two-dimensional correlations existing up to at least 40 K. Although we find no evidence that FeTa2O6 is magnetically frustrated, hallmarks of two-dimensional magnetism observed in our single-crystal data include: (i) broadening of the susceptibility maximum due to short-range correlations, (ii) a spin-flop transition and (iii) lambda anomalies in the heat capacity and d(χT)/dT. Complementary neutron Laue diffraction measurements reveal 1D magnetic diffuse scattering extending along the c* direction perpendicular to the magnetic planes. This magnetic diffuse scattering, observed for the first time using the neutron Laue technique by VIVALDI, arises directly as a result of 2D short-range spin correlations.

Suppression of the commensurate magnetic phase in nanosized hübnerite MnW O 4

DOE PAGES

Zajdel, P.; G?gor, A.; Pajerowski, D. M.; ...

2017-05-18

Magnetic structures of nanosized (20 to 70 nm) powders of MnWO 4 and MnWO 4:Mo were studied using neutron powder diffraction (NPD). Sizes and shapes of the crystallites calculated from anisotropic peak broadening of diffraction peaks were found to be orthogonal parallelepipedlike with the longest edge along the c axis and the shortest along the b axis. SQUID measurements indicate the presence of two magnetic transitions around 8 and 12 K. Rietveld refinement of the NPD data below the magnetic transition was consistent with the presence of an incommensurate spiral-like (ac-AF2) phase. Finally, a commensurate phase AF1 was not observedmore » down to 2.5 K for all of the samples.« less

The Harper–Hofstadter Hamiltonian and conical diffraction in photonic lattices with grating assisted tunneling

DOE PAGES

Dubček, Tena; Lelas, Karlo; Jukić, Dario; ...

2015-12-07

Here we propose the realization of a grating assisted tunneling scheme for tunable synthetic magnetic fields in optically induced one- and two-dimensional dielectric photonic lattices. As a signature of the synthetic magnetic fields, we demonstrate conical diffraction patterns in particular realization of these lattices, which possess Dirac points in k-space. Lastly, we compare the light propagation in these realistic (continuous) systems with the evolution in discrete models representing the Harper-Hofstadter Hamiltonian, and obtain excellent agreement.

Enhancement in surface area and magnetization of CoFe2O4 nanoparticles for targeted drug delivery application

NASA Astrophysics Data System (ADS)

Kale, Swati B.; Somvanshi, Sandeep B.; Sarnaik, M. N.; More, S. D.; Shukla, S. J.; Jadhav, K. M.

2018-05-01

This paper reports facile synthesis, characterizations by X-ray diffraction and scanning electron microscopy and magnetic behaviour of cobalt ferrite nanoparticles. Cobalt ferrite nanoparticles were prepared by sol-gel auto combustion technique using glycine as a fuel. Phase purity and nanocrystalline nature of the prepared sample was confirmed through X-ray diffraction technique. No extra peak other than cubic spinel structure was observed in the XRD pattern. The crystallite size calculated by using Scherrer's formula is of the order of 21.6 nm indicating the nanocrystalline nature of the prepared cobalt ferrite sample. The surface morphological studies were carried out using scanning electron microscope (SEM). SEM image shows homogeneous, agglomerated particles with sponge-like form. The saturation magnetization, coercivity and remenance magnetization obtained by hysteresis curve clearly gives the evidence of excellent and enhanced magnetic behaviour.

Magnetic texturing due to the partial ordering of Fe+3 and Cu+2 in NdBaCuFeO5

NASA Astrophysics Data System (ADS)

Pissas, M.

2017-06-01

The crystal and magnetic structure of the oxygen deficient double perovskite NdBaCuFeO5 was studied, using neutron powder diffraction data. The structure was refined from neutron powder diffraction data using the space groups P 4 / mmm and P 4 mm . For 2K ⩽ T ⩽TN2 = 260K three families of magnetic Bragg peaks exist. These peaks can be indexed with commensurate propagation vectors k1 =[1/2 1/2 1/2], k2 =[1/2 1/2 0] and the incommensurate k3 =[1/2 1/2 0.4]. Above TN2 only magnetic Bragg peaks originated from k1 and k2 propagation, were observed. The incommensurate magnetic structure can be attributed to a circular inclined spiral ordering as in YBaCuFeO5 compound.

Neutron diffraction studies of some rare earth-transition metal deuterides

NASA Astrophysics Data System (ADS)

James, W. J.

1984-04-01

Neutron diffraction studies of the ternary alloy system Y6(Fel-xMnx)23 reveal that the unusual magnetic behavior upon substitution of Mn or Fe into the end members, is a consequence of atomic ordering wherein there is strong site preference of Mn for the f sub 2 sites and of Fe for the f sub 1 sites. In the Mn-rich compositions, Fe is found to have no spontaneous moments. Therefore, the long range magnetic ordering arises solely from Mn-Mn interactions. Upon substitution of Mn into the Fe-rich ternaries, the Fe moments are considerably reduced. Neutron diffraction studies of Y6Mn23D23 show that a transition occurs below 180K from a fcc structure to a primitive tetragonal structure, space group P4/mmm with the onset of antiferromagnetic ordering. The Mn moments are directed along the c-axis. The transition probably results from atomic ordering of the D atoms at low temperature which induces c axis magnetic ordering. The question of the appropriate space group of LaNi4.5Al0.5D4.5, P6/mmm or P3/m has been resolved by a careful refinement and analysis of neutron diffraction data. The preferred space group is P6/mmm. Neutron powder diffraction and thermal magnetization measurements on small single crystals of ErNi3, ErCo3, and ErFe3 (space group R3m) show that the magnetocrystalline properties are a consequence of competing local site anisotropies between the two non-equivalent crystallographic sites of Er and two of the three non-equivalent sites of the 3d-transition metal.

Dynamic nuclear magnetic resonance field sensing with part-per-trillion resolution

NASA Astrophysics Data System (ADS)

Gross, Simon; Barmet, Christoph; Dietrich, Benjamin E.; Brunner, David O.; Schmid, Thomas; Pruessmann, Klaas P.

2016-12-01

High-field magnets of up to tens of teslas in strength advance applications in physics, chemistry and the life sciences. However, progress in generating such high fields has not been matched by corresponding advances in magnetic field measurement. Based mostly on nuclear magnetic resonance, dynamic high-field magnetometry is currently limited to resolutions in the nanotesla range. Here we report a concerted approach involving tailored materials, magnetostatics and detection electronics to enhance the resolution of nuclear magnetic resonance sensing by three orders of magnitude. The relative sensitivity thus achieved amounts to 1 part per trillion (10-12). To exemplify this capability we demonstrate the direct detection and relaxometry of nuclear polarization and real-time recording of dynamic susceptibility effects related to human heart function. Enhanced high-field magnetometry will generally permit a fresh look at magnetic phenomena that scale with field strength. It also promises to facilitate the development and operation of high-field magnets.

Structural and magnetic investigations of single-crystalline neodymium zirconate pyrochlore Nd2Zr2O7

NASA Astrophysics Data System (ADS)

Hatnean, M. Ciomaga; Lees, M. R.; Petrenko, O. A.; Keeble, D. S.; Balakrishnan, G.; Gutmann, M. J.; Klekovkina, V. V.; Malkin, B. Z.

2015-05-01

We report structural and magnetic properties studies of large high-quality single crystals of the frustrated magnet Nd2Zr2O7 . Powder x-ray diffraction analysis confirms that Nd2Zr2O7 adopts the pyrochlore structure. Room-temperature x-ray diffraction and time-of-flight neutron-scattering experiments show that the crystals are stoichiometric in composition with no measurable site disorder. The temperature dependence of the magnetic susceptibility shows no magnetic ordering at temperatures down to 0.5 K. Fits to the magnetic susceptibility data using a Curie-Weiss law reveal a ferromagnetic coupling between the Nd moments. Magnetization versus field measurements show a local Ising anisotropy along the <111 > axes of the Nd3 + ions in the ground state. Specific heat versus temperature measurements in zero applied magnetic field indicate the presence of a thermal anomaly below T ˜7 K, but no evidence of magnetic ordering is observed down to 0.5 K. The experimental temperature dependence of the single-crystal bulk dc susceptibility and isothermal magnetization are analyzed using crystal field theory and the crystal field parameters and exchange coupling constants determined.

Analysis of the transient response of nuclear spins in GaAs with/without nuclear magnetic resonance

NASA Astrophysics Data System (ADS)

Rasly, Mahmoud; Lin, Zhichao; Yamamoto, Masafumi; Uemura, Tetsuya

2016-05-01

As an alternative to studying the steady-state responses of nuclear spins in solid state systems, working within a transient-state framework can reveal interesting phenomena. The response of nuclear spins in GaAs to a changing magnetic field was analyzed based on the time evolution of nuclear spin temperature. Simulation results well reproduced our experimental results for the transient oblique Hanle signals observed in an all-electrical spin injection device. The analysis showed that the so called dynamic nuclear polarization can be treated as a cooling tool for the nuclear spins: It works as a provider to exchange spin angular momentum between polarized electron spins and nuclear spins through the hyperfine interaction, leading to an increase in the nuclear polarization. In addition, a time-delay of the nuclear spin temperature with a fast sweep of the external magnetic field produces a possible transient state for the nuclear spin polarization. On the other hand, the nuclear magnetic resonance acts as a heating tool for a nuclear spin system. This causes the nuclear spin temperature to jump to infinity: i.e., the average nuclear spins along with the nuclear field vanish at resonant fields of 75As, 69Ga and 71Ga, showing an interesting step-dip structure in the oblique Hanle signals. These analyses provide a quantitative understanding of nuclear spin dynamics in semiconductors for application in future computation processing.

Force-detected nuclear magnetic resonance: recent advances and future challenges.

PubMed

Poggio, M; Degen, C L

2010-08-27

We review recent efforts to detect small numbers of nuclear spins using magnetic resonance force microscopy. Magnetic resonance force microscopy (MRFM) is a scanning probe technique that relies on the mechanical measurement of the weak magnetic force between a microscopic magnet and the magnetic moments in a sample. Spurred by the recent progress in fabricating ultrasensitive force detectors, MRFM has rapidly improved its capability over the last decade. Today it boasts a spin sensitivity that surpasses conventional, inductive nuclear magnetic resonance detectors by about eight orders of magnitude. In this review we touch on the origins of this technique and focus on its recent application to nanoscale nuclear spin ensembles, in particular on the imaging of nanoscale objects with a three-dimensional (3D) spatial resolution better than 10 nm. We consider the experimental advances driving this work and highlight the underlying physical principles and limitations of the method. Finally, we discuss the challenges that must be met in order to advance the technique towards single nuclear spin sensitivity-and perhaps-to 3D microscopy of molecules with atomic resolution.

High spin state driven magnetism and thermoelectricity in Mn doped topological insulator Bi2Se3

NASA Astrophysics Data System (ADS)

Maurya, V. K.; Dong, C. L.; Chen, C. L.; Asokan, K.; Patnaik, S.

2018-06-01

We report on the synthesis, and structural - magnetic characterizations of Mn doped Bi2Se3 towards achieving a magnetically doped topological insulator. High quality single crystals of MnxBi2-xSe3 (x = 0, 0.03, 0.05, 0.1) are grown and analysed by X-ray diffraction (XRD), Low Energy Electron Diffraction (LEED), Scanning electron microscopy (SEM), and X-ray absorption near-edge structure spectroscopy (XANES). Magnetic properties of these samples under ZFC-FC protocol and isothermal magnetization confirm ferromagnetic correlation above x = 0.03 value. XANES measurements confirm that the dopant Mn is in Mn2+ state. This is further reconfirmed to be in high spin state by fitting magnetic data with Brillouin function for J = 5/2. Both Hall and Seebeck measurements indicate a sign change of charge carriers above x = 0.03 value of Mn doping. We propose Mn doped Bi2Se3 to be a potential candidate for electromagnetic and thermoelectric device applications involving topological surface states.

Magnetic and magnetoresistance properties of La0.7Sr0.3(Mn,Сo)O3

NASA Astrophysics Data System (ADS)

Troyanchuk, I. O.; Karpinsky, D. V.; Bushinsky, M. V.; Sikolenko, V. V.; Gavrilov, S. A.; Silibin, M. V.

2017-11-01

Magnetic and magnetotransport properties of La0.7Sr0.3Mn1-xCoxO3 ceramics have been investigated by neutron powder diffraction, magnetization and electrical measurements. It is shown that substitution by cobalt ions leads to a decrease of magnetic transition temperature down to 140 K for the compound with x = 0.33. The compounds with cobalt content 0.4 < x < 0.6 are characterized by a presence of small ferromagnetic component due to exchange interactions between cobalt and manganese ions with maximal transition temperature of about 190 K observed for x = 0.5. Further increase of the dopant concentration diminishes ferromagnetic interactions. An evolution of electronic configuration of manganese and cobalt ions upon chemical substitution as well as related changes in the exchange interactions which determine the type of the magnetic state are discussed. Based on the neutron diffraction results and magnetometry data the preliminary magnetic phase diagram has been constructed.

Polarized Neutron Diffraction as a Tool for Mapping Molecular Magnetic Anisotropy: Local Susceptibility Tensors in Co(II) Complexes.

PubMed

Ridier, Karl; Gillon, Béatrice; Gukasov, Arsen; Chaboussant, Grégory; Cousson, Alain; Luneau, Dominique; Borta, Ana; Jacquot, Jean-François; Checa, Ruben; Chiba, Yukako; Sakiyama, Hiroshi; Mikuriya, Masahiro

2016-01-11

Polarized neutron diffraction (PND) experiments were carried out at low temperature to characterize with high precision the local magnetic anisotropy in two paramagnetic high-spin cobalt(II) complexes, namely [Co(II) (dmf)6 ](BPh4 )2 (1) and [Co(II) 2 (sym-hmp)2 ](BPh4 )2 (2), in which dmf=N,N-dimethylformamide; sym-hmp=2,6-bis[(2-hydroxyethyl)methylaminomethyl]-4-methylphenolate, and BPh4 (-) =tetraphenylborate. This allowed a unique and direct determination of the local magnetic susceptibility tensor on each individual Co(II) site. In compound 1, this approach reveals the correlation between the single-ion easy magnetization direction and a trigonal elongation axis of the Co(II) coordination octahedron. In exchange-coupled dimer 2, the determination of the individual Co(II) magnetic susceptibility tensors provides a clear outlook of how the local magnetic properties on both Co(II) sites deviate from the single-ion behavior because of antiferromagnetic exchange coupling. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Beyond a phenomenological description of magnetostriction

DOE PAGES

Reid, A. H.; Shen, X.; Maldonado, P.; ...

2018-01-26

Magnetostriction, the strain induced by a change in magnetization, is a universal effect in magnetic materials. Owing to the difficulty in unraveling its microscopic origin, it has been largely treated phenomenologically. Here in this paper, we show how the source of magnetostriction—the underlying magnetoelastic stress—can be separated in the time domain, opening the door for an atomistic understanding. X-ray and electron diffraction are used to separate the sub-picosecond spin and lattice responses of FePt nanoparticles. Following excitation with a 50-fs laser pulse, time-resolved X-ray diffraction demonstrates that magnetic order is lost within the nanoparticles with a time constant of 146more » fs. Ultrafast electron diffraction reveals that this demagnetization is followed by an anisotropic, three-dimensional lattice motion. Analysis of the size, speed, and symmetry of the lattice motion, together with ab initio calculations accounting for the stresses due to electrons and phonons, allow us to reveal the magnetoelastic stress generated by demagnetization.« less

Structural and DC electrical resistivity, magnetic properties of Co0.5M0.5Fe2O4 (M= Ni, Zn, and Mg) ferrite nanoparticles

NASA Astrophysics Data System (ADS)

Ramakrishna, A.; Murali, N.; Mammo, Tulu Wegayehu; Samatha, K.; Veeraiah, V.

2018-04-01

Inverse spinel structured nanoparticles of cobalt ferrite partially substituted by divalent cations of Ni, Zn, and Mg have been synthesized through sol-gel auto combustion route. Structural parameters are studied by powder X-ray diffraction at the diffraction angle range of 10-80°; and FT-IR spectroscopy in the wavenumber range of 1600-400 cm-1. Lattice parameters were calculated from the (hkl) values of the diffraction planes and interplanar spacing and found to be in the range of 8.3659-8.4197 Å. The surface morphology and crystalline nature are studied using scanning electron microscopy and also using HRTEM. The magnetic properties are analyzed through vibrating sample magnetometer. High saturation magnetization of 90.12 emu/g has been achieved from Co-Zn sample whereas high coercive force of 883.45 Oe is achieved in Co-Ni sample. A two-probe DC resistivity was measured in temperature ranges of 300-450 K.

A quantum diffractor for thermal flux

NASA Astrophysics Data System (ADS)

José Martínez-Pérez, Maria; Giazotto, Francesco

2014-04-01

Macroscopic phase coherence between weakly coupled superconductors leads to peculiar interference phenomena. Among these, magnetic flux-driven diffraction might be produced, in full analogy to light diffraction through a rectangular slit. This can be experimentally revealed by the electric current and, notably, also by the heat current transmitted through the circuit. The former was observed more than 50 years ago and represented the first experimental evidence of the phase-coherent nature of the Josephson effect, whereas the second one was still lacking. Here we demonstrate the existence of heat diffraction by measuring the modulation of the electronic temperature of a small metallic electrode nearby-contacted to a thermally biased short Josephson junction subjected to an in-plane magnetic field. The observed temperature dependence exhibits symmetry under magnetic flux reversal, and clear resemblance with a Fraunhofer-like modulation pattern. Our approach, joined to widespread methods for phase-biasing superconducting circuits, might represent an effective tool for controlling the thermal flux in nanoscale devices.

Nuclear magnetic resonance of laser-polarized noble gases in molecules, materials and organisms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goodson, Boyd McLean

1999-12-01

Conventional nuclear magnetic resonance (NMR) spectroscopy and magnetic resonance imaging (MRI) are fundamentally challenged by the insensitivity that stems from the ordinarily low spin polarization achievable in even the strongest NMR magnets. However, by transferring angular momentum from laser light to electronic and nuclear spins, optical pumping methods can increase the nuclear spin polarization of noble gases by several orders of magnitude, thereby greatly enhancing their NMR sensitivity. This dissertation is primarily concerned with the principles and practice of optically pumped nuclear magnetic resonance (OPNMR). The enormous sensitivity enhancement afforded by optical pumping noble gases can be exploited to permitmore » a variety of novel NMR experiments across many disciplines. Many such experiments are reviewed, including the void-space imaging of organisms and materials, NMR and MRI of living tissues, probing structure and dynamics of molecules in solution and on surfaces, and zero-field NMR and MRI.« less

Current density tensors

NASA Astrophysics Data System (ADS)

Lazzeretti, Paolo

2018-04-01

It is shown that nonsymmetric second-rank current density tensors, related to the current densities induced by magnetic fields and nuclear magnetic dipole moments, are fundamental properties of a molecule. Together with magnetizability, nuclear magnetic shielding, and nuclear spin-spin coupling, they completely characterize its response to magnetic perturbations. Gauge invariance, resolution into isotropic, deviatoric, and antisymmetric parts, and contributions of current density tensors to magnetic properties are discussed. The components of the second-rank tensor properties are rationalized via relationships explicitly connecting them to the direction of the induced current density vectors and to the components of the current density tensors. The contribution of the deviatoric part to the average value of magnetizability, nuclear shielding, and nuclear spin-spin coupling, uniquely determined by the antisymmetric part of current density tensors, vanishes identically. The physical meaning of isotropic and anisotropic invariants of current density tensors has been investigated, and the connection between anisotropy magnitude and electron delocalization has been discussed.

Resonance energy shifts during nuclear Bragg diffraction of x rays

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arthur, J.; Brown, G.S.; Brown, D.E.

1989-10-09

We have observed dramatic changes in the time distribution of synchrotron x rays resonantly scattered from {sup 57}Fe nuclei in a crystal of yttrium iron garnet, which depend on the deviation angle of the incident radiation from the Bragg angle. These changes are caused by small shifts in the effective energies of the hyperfine-split nuclear resonances, an effect of dynamical diffraction for the coherently excited nuclei in the crystal. The very high brightness of the synchro- tron x-ray source allows this effect to be observed in a 15-min measurement.

Preparation, Crystal Structure, Dielectric Properties, and Magnetic Behavior of Ba 2Fe 2Ti 4O 13

NASA Astrophysics Data System (ADS)

Vanderah, T. A.; Huang, Q.; Wong-Ng, W.; Chakoumakos, B. C.; Goldfarb, R. B.; Geyer, R. G.; Baker-Jarvis, J.; Roth, R. S.; Santoro, A.

1995-11-01

The preparation, crystal structure, dielectric properties, and magnetic behavior of the new compound Ba2Fe2Ti4O13 are reported. Structural studies carried out by single-crystal X-ray diffraction and neutron powder diffraction show that this phase is isostructural with K2Ti6O13 and Ba2ZnTi5O13 (C2/m (No. 12); a = 15.216(1), b = 3.8979(3), c = 9.1350(6) Å, β = 98.460(7)°; V = 535.90(8) Å3; Z = 2). The cations Fe3+ and Ti4+ are partially ordered among distorted octahedral sites with Ba2+ occupying eleven-coordinated polyhedra. Ba2Fe2Ti4O13 exhibits TE0 resonance near 10 GHz with a dielectric constant of ∼28 and a dielectric loss tangent of 2 × 10-3. The compound displays complex paramagnetic behavior with marked field dependence; the magnetization at 80 kA/m is several orders of magnitude smaller than that of most ferrites. Spin-glass effects have not been observed; however, weak collective interactions are clearly present. No magnetic ordering has been detected by neutron diffraction down to 13 K.

Magnetoelastic effect in MF2 (M = Mn, Fe, Ni) investigated by neutron powder diffraction

NASA Astrophysics Data System (ADS)

Chatterji, Tapan; Iles, Gail N.; Ouladdiaf, Bachir; Hansen, Thomas C.

2010-08-01

We have investigated the magnetoelastic effects in MF2 (M = Mn, Fe, Ni) associated with the antiferromagnetic phase transition temperature TN by neutron powder diffraction. The temperature variation of the lattice parameters and the unit cell volume has been determined accurately with small temperature steps. From the temperature variation of the lattice parameters a, c and V the lattice strains Δa, Δc and ΔV associated with the antiferromagnetic phase transition have been extracted. Rietveld refinement of the crystal and magnetic structures from the diffraction data at low temperature gave a magnetic moment of 5.12 ± 0.09 μB, 4.05 ± 0.05 μB and 1.99 ± 0.05 μB per Mn, Fe and Ni ions, respectively. The lattice strains Δa, Δc and ΔV couple linearly with the intensity of the 100 magnetic reflection, which is proportional to square of the order parameter of the antiferromagnetic phase transition. The volume strains in MF2 (M = Mn, Fe, Co, Ni) due to the magnetostriction vary smoothly along the transition metal series and seem to be correlated with the strength of the exchange interaction and the moments of the magnetic ions.

Magnetoelastic effect in MF2 (M = Mn, Fe, Ni) investigated by neutron powder diffraction.

PubMed

Chatterji, Tapan; Iles, Gail N; Ouladdiaf, Bachir; Hansen, Thomas C

2010-08-11

We have investigated the magnetoelastic effects in MF(2) (M = Mn, Fe, Ni) associated with the antiferromagnetic phase transition temperature T(N) by neutron powder diffraction. The temperature variation of the lattice parameters and the unit cell volume has been determined accurately with small temperature steps. From the temperature variation of the lattice parameters a, c and V the lattice strains Δa, Δc and ΔV associated with the antiferromagnetic phase transition have been extracted. Rietveld refinement of the crystal and magnetic structures from the diffraction data at low temperature gave a magnetic moment of 5.12 ± 0.09 μ(B), 4.05 ± 0.05 μ(B) and 1.99 ± 0.05 μ(B) per Mn, Fe and Ni ions, respectively. The lattice strains Δa, Δc and ΔV couple linearly with the intensity of the 100 magnetic reflection, which is proportional to square of the order parameter of the antiferromagnetic phase transition. The volume strains in MF(2) (M = Mn, Fe, Co, Ni) due to the magnetostriction vary smoothly along the transition metal series and seem to be correlated with the strength of the exchange interaction and the moments of the magnetic ions.

Effects of dynamic diffraction conditions on magnetic parameter determination in a double perovskite Sr2FeMoO6 using electron energy-loss magnetic chiral dichroism.

PubMed

Wang, Z C; Zhong, X Y; Jin, L; Chen, X F; Moritomo, Y; Mayer, J

2017-05-01

Electron energy-loss magnetic chiral dichroism (EMCD) spectroscopy, which is similar to the well-established X-ray magnetic circular dichroism spectroscopy (XMCD), can determine the quantitative magnetic parameters of materials with high spatial resolution. One of the major obstacles in quantitative analysis using the EMCD technique is the relatively poor signal-to-noise ratio (SNR), compared to XMCD. Here, in the example of a double perovskite Sr 2 FeMoO 6 , we predicted the optimal dynamical diffraction conditions such as sample thickness, crystallographic orientation and detection aperture position by theoretical simulations. By using the optimized conditions, we showed that the SNR of experimental EMCD spectra can be significantly improved and the error of quantitative magnetic parameter determined by EMCD technique can be remarkably lowered. Our results demonstrate that, with enhanced SNR, the EMCD technique can be a unique tool to understand the structure-property relationship of magnetic materials particularly in the high-density magnetic recording and spintronic devices by quantitatively determining magnetic structure and properties at the nanometer scale. Copyright © 2017 Elsevier B.V. All rights reserved.

Geometrically frustrated magnetic structures of the heavy-fermion compound CePdAl studied by powder neutron diffraction

NASA Astrophysics Data System (ADS)

Dönni, A.; Ehlers, G.; Maletta, H.; Fischer, P.; Kitazawa, H.; Zolliker, M.

1996-12-01

The heavy-fermion compound CePdAl with ZrNiAl-type crystal structure (hexagonal space group 0953-8984/8/50/043/img8) was investigated by powder neutron diffraction. The triangular coordination symmetry of magnetic Ce atoms on site 3f gives rise to geometrical frustration. CePdAl orders below 0953-8984/8/50/043/img9 with an incommensurate antiferromagnetic propagation vector 0953-8984/8/50/043/img10, and a longitudinal sine-wave (LSW) modulated spin arrangement. Magnetically ordered moments at Ce(1) and Ce(3) coexist with frustrated disordered moments at Ce(2). The experimentally determined magnetic structure is in agreement with group theoretical symmetry analysis considerations, calculated by the program MODY, which confirm that for Ce(2) an ordered magnetic moment parallel to the magnetically easy c-axis is forbidden by symmetry. Further low-temperature experiments give evidence for a second magnetic phase transition in CePdAl between 0.6 and 1.3 K. Magnetic structures of CePdAl are compared with those of the isostructural compound TbNiAl, where a non-zero ordered magnetic moment for the geometrically frustrated Tb(2) atoms is allowed by symmetry.

Synthesis and Characterization of a Novel Borazine-Type UV Photo-Induced Polymerization of Ceramic Precursors.

PubMed

Wei, Dan; Chen, Lixin; Xu, Tingting; He, Weiqi; Wang, Yi

2016-06-21

A preceramic polymer of B,B',B''-(dimethyl)ethyl-acrylate-silyloxyethyl-borazine was synthesized by three steps from a molecular single-source precursor and characterized by Fourier transform infrared (FTIR) and nuclear magnetic resonance (NMR) spectrometry. Six-member borazine rings and acrylate groups were effectively introduced into the preceramic polymer to activate UV photo-induced polymerization. Photo-Differential Scanning Calorimetry (Photo-DSC) and real-time FTIR techniques were adapted to investigate the photo-polymerization process. The results revealed that the borazine derivative exhibited dramatic activity by UV polymerization, the double-bond conversion of which reached a maximum in 40 s. Furthermore, the properties of the pyrogenetic products were studied by scanning electron microscopy (SEM) and X-ray diffraction (XRD), which proved the ceramic annealed at 1100 °C retained the amorphous phase.

Mineralization dynamics of metakaolin-based alkali-activated cements

USGS Publications Warehouse

Gevaudan, Juan Pablo; Campbell, Kate M.; Kane, Tyler; Shoemaker, Richard K.; Srubar, Wil V.

2017-01-01

This paper investigates the early-age dynamics of mineral formation in metakaolin-based alkali-activated cements. The effects of silica availability and alkali content on mineral formation were investigated via X-ray diffraction and solid-state 29Si magic-angle spinning nuclear magnetic resonance spectroscopy at 2, 7, 14, and 28 days. Silica availability was controlled by using either liquid- (immediate) or solid-based (gradual) sodium silicate supplements. Mineral (zeolitic) and amorphous microstructural characteristics were correlated with observed changes in bulk physical properties, namely shrinkage, density, and porosity. Results demonstrate that, while alkali content controls the mineralization in immediately available silica systems, alkali content controls the silica availability in gradually available silica systems. Immediate silica availability generally leads to a more favorable mineral formation as demonstrated by correlated improvements in bulk physical properties.

Swollen poly(dimethylsiloxane) (PDMS) as a template for inorganic morphologies.

PubMed

Brennan, Daniel P; Dobley, Arthur; Sideris, Paul J; Oliver, Scott R J

2005-12-06

We report a series of silica, titania, and zirconia microstructures synthesized within swollen poly(dimethylsiloxane) (PDMS). Voids created by solvent-swelling the polymer are used to template the product. The inorganic morphologies range from spheres to networks, depending upon the nature of the polymer, its degree of swelling, and the synthetic conditions. Organic solvents as well as pure metal alkoxide liquids have been used to swell the polymer. Once the alkoxide precursor is inside the swollen polymer, water is introduced to bring about hydrolysis and condensation polymerization. The product is a textured metal oxide within a PDMS matrix. Scanning electron microscopy (SEM), optical microscopy, nuclear magnetic resonance (NMR), and powder X-ray diffraction (PXRD) were used to characterize the products. Microstructures formed in this manner have potential use as an inexpensive route to catalysts, fillers, capsules, or membranes for separations.

Pressure-Stabilized Cubic Perovskite Oxyhydride BaScO2H.

PubMed

Goto, Yoshihiro; Tassel, Cédric; Noda, Yasuto; Hernandez, Olivier; Pickard, Chris J; Green, Mark A; Sakaebe, Hikari; Taguchi, Noboru; Uchimoto, Yoshiharu; Kobayashi, Yoji; Kageyama, Hiroshi

2017-05-01

We report a scandium oxyhydride BaScO 2 H prepared by solid state reaction under high pressure. Rietveld refinements against powder synchrotron X-ray and neutron diffraction data revealed that BaScO 2 H adopts the ideal cubic perovskite structure (Pm3̅m), where oxide (O 2- ) and hydride (H - ) anions are disordered. 1 H nuclear magnetic resonance (NMR) spectroscopy provides a positive chemical shift of about +4.4 ppm, which can be understood by the distance to the nearest (and possibly the next nearest) cation from the H nucleus. A further analysis of the NMR data and calculations based on ab initio random structure searches suggest a partial cis preference in ScO 4 H 2 octahedra. The present oxyhydride, if compositionally or structurally tuned, may become a candidate for H - conductors.

Tuning hardness in calcite by incorporation of amino acids

NASA Astrophysics Data System (ADS)

Kim, Yi-Yeoun; Carloni, Joseph D.; Demarchi, Beatrice; Sparks, David; Reid, David G.; Kunitake, Miki E.; Tang, Chiu C.; Duer, Melinda J.; Freeman, Colin L.; Pokroy, Boaz; Penkman, Kirsty; Harding, John H.; Estroff, Lara A.; Baker, Shefford P.; Meldrum, Fiona C.

2016-08-01

Structural biominerals are inorganic/organic composites that exhibit remarkable mechanical properties. However, the structure-property relationships of even the simplest building unit--mineral single crystals containing embedded macromolecules--remain poorly understood. Here, by means of a model biomineral made from calcite single crystals containing glycine (0-7 mol%) or aspartic acid (0-4 mol%), we elucidate the origin of the superior hardness of biogenic calcite. We analysed lattice distortions in these model crystals by using X-ray diffraction and molecular dynamics simulations, and by means of solid-state nuclear magnetic resonance show that the amino acids are incorporated as individual molecules. We also demonstrate that nanoindentation hardness increased with amino acid content, reaching values equivalent to their biogenic counterparts. A dislocation pinning model reveals that the enhanced hardness is determined by the force required to cut covalent bonds in the molecules.

Binding Structures of Diatomic Molecules to Co-Porphyrins on Au(111) Studied by Scanning Tunneling Microscopy

NASA Astrophysics Data System (ADS)

Lee, Soon-Hyeong; Chang, Yun; Kim, Howon; Jang, Won; Kim, Yong-Hyun; Kahng, Se-Jong; Department Of Physics, Korea University. Collaboration; Graduate School Of Nanoscience; Technology (Wcu), Kaist Collaboration

2013-03-01

Axial bindings of diatomic molecules to metalloporphyrins involve in the dynamic processes of biological functions such as respiration, neurotransmission, and photosynthesis. The binding reactions are also useful in sensor applications and to control molecular spins in metalloporphyrins for spintronic applications. Here, we present the binding structures of diatomic molecules to surface-supported Co-porphyrins studied using scanning tunneling microscopy. Upon gas exposure, three-lobed structures of Co-porphyrins transformed to bright ring shapes on Au(111), whereas H2-porphyrins of dark rings remained intact. The bright rings are explained by the structures of reaction complexes where a diatomic ligand, tilted away from the axis normal to the porphyrin plane, is under precession. Our results are consistent with previous bulk experiments using X-ray diffraction and nuclear magnetic resonance spectroscopy.

Coordination nano-space as stage of hydrogen ortho–para conversion

PubMed Central

Kosone, Takashi; Hori, Akihiro; Nishibori, Eiji; Kubota, Yoshiki; Mishima, Akio; Ohba, Masaaki; Tanaka, Hiroshi; Kato, Kenichi; Kim, Jungeun; Real, José Antonio; Kitagawa, Susumu; Takata, Masaki

2015-01-01

The ability to design and control properties of nano-sized space in porous coordination polymers (PCPs) would provide us with an ideal stage for fascinating physical and chemical phenomena. We found an interconversion of nuclear-spin isomers for hydrogen molecule H2 adsorbed in a Hofmann-type PCP, {Fe(pz)[Pd(CN)4]} (pz=pyrazine), by the temperature dependence of Raman spectra. The ortho (o)–para (p) conversion process of H2 is forbidden for an isolated molecule. The charge density study using synchrotron radiation X-ray diffraction reveals the electric field generated in coordination nano-space. The present results corroborate similar findings observed on different systems and confirm that o–p conversion can occur on non-magnetic solids and that electric field can induce the catalytic hydrogen o–p conversion. PMID:26587262

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun, Jiangman; Dong, Xiao; Wang, Yajie

Geometric isomerism in polyacetylene is a basic concept in chemistry textbooks. Polymerization to cis-isomer is kinetically preferred at low temperature, not only in the classic catalytic reaction in solution but also, unexpectedly, in the crystalline phase when it is driven by external pressure without a catalyst. Until now, no perfect reaction route has been proposed for this pressure-induced polymerization. Using in situ neutron diffraction and meta-dynamic simulation, we discovered that under high pressure, acetylene molecules react along a specific crystallographic direction that is perpendicular to those previously proposed. Moreover, following this route produces a pure cis-isomer and more surprisingly, predictsmore » that graphane is the final product. Experimentally, polycyclic polymers with a layered structure were identified in the recovered product by solid-state nuclear magnetic resonance and neutron pair distribution functions, which indicates the possibility of synthesizing graphane under high pressure.« less

Enhanced Lithium Oxygen Battery Using a Glyme Electrolyte and Carbon Nanotubes.

PubMed

Carbone, Lorenzo; Moro, Paolo Tomislav; Gobet, Mallory; Munoz, Stephen; Devany, Matthew; Greenbaum, Steven G; Hassoun, Jusef

2018-05-16

The lithium oxygen battery has a theoretical energy density potentially meeting the challenging requirements of electric vehicles. However, safety concerns and short lifespan hinder its application in practical systems. In this work, we show a cell configuration, including a multiwalled carbon nanotube electrode and a low flammability glyme electrolyte, capable of hundreds of cycles without signs of decay. Nuclear magnetic resonance and electrochemical tests confirm the suitability of the electrolyte in a practical battery, whereas morphological and structural aspects revealed by electron microscopy and X-ray diffraction demonstrate the reversible formation and dissolution of lithium peroxide during the electrochemical process. The enhanced cycle life of the cell and the high safety of the electrolyte suggest the lithium oxygen battery herein reported as a viable system for the next generation of high-energy applications.

Supramolecular assembly of (Z)-ethyl 2-cyano-3-((4-fluorophenyl)amino) acrylate, crystal structure, Hirshfeld surface analysis and DFT studies

NASA Astrophysics Data System (ADS)

Matos, Catiúcia R. M. O.; Vitorino, Letícia S.; de Oliveira, Pedro H. R.; de Souza, Maria Cecília B. V.; Cunha, Anna C.; Boechat, Fernanda da C. S.; Resende, Jackson A. L. C.; Carneiro, José Walkimar de M.; Ronconi, Célia M.

2016-09-01

A mixture of the E and Z isomers of ethyl 2-cyano-3-((4-fluorophenyl)amino) acrylate was synthesized and characterized by elemental analysis, attenuated total reflectance-Fourier transform infrared spectroscopy, 1H and 13C nuclear magnetic resonance spectroscopy. The structure of the Z isomer was determined by single crystal X-ray diffraction, which revealed a three-dimensional supramolecular network governed by Csbnd H⋯N, Csbnd H⋯O, and Csbnd H⋯F hydrogen bonds and π⋯π stacking interactions. The combination of these interactions plays an important role in stabilizing the self-assembly process and the molecular conformation. Hirshfeld surface analysis indicated the roles of the noncovalent interactions in the crystal packing, which were quantified by fingerprint plots and DFT calculations.

Magnetic and crystal structures of the honeycomb lattice Na2IrO3 and single layer Sr2IrO4

NASA Astrophysics Data System (ADS)

Ye, Feng

2013-03-01

5 d based iridates have recently attracted great attention due to the large spin-orbit coupling (SOC). It is now recognized that the SOC that competes with other relevant energies, particularly the on-site Coulomb interaction U, and have driven novel electronic and magnetic phases. Combining single crystal neutron and x-ray diffractions, we have investigated the magnetic and crystal structures of the honeycomb lattice Na2IrO3. The system orders magnetically below 18.1 K with Ir4+ ions forming zigzag spin chains within the layered honeycomb network with ordered moment of 0.22 μB /Ir site. Such a configuration sharply contrasts the Neel or stripe states proposed in the Kitaev-Heisenberg model. The structure refinement reveals that the Ir atoms form nearly ideal 2D honeycomb lattice while the IrO6 octahedra experience a trigonal distortion that is critical to the ground state. The results of this study provide much-needed experimental insights into the magnetic and crystal structure crucial to the understanding of the exotic magnetic order and possible topological characteristics in the 5 d-electron based honeycomb lattice. Neutron diffraction experiments are also performed to investigate the magnetic and crystal structure of the single layer iridate Sr2IrO4, where new structural information and spin order are obtained that is not available from previous neutron powder diffraction measurement. This work was sponsored in part by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy.

Theory of time-resolved x-ray photoelectron diffraction from transient conformational molecules

NASA Astrophysics Data System (ADS)

Tsuru, Shota; Sako, Tokuei; Fujikawa, Takashi; Yagishita, Akira

2017-04-01

We formulate x-ray photoelectron diffraction (XPD) from molecules undergoing photochemical reactions induced by optical laser pulses, and then apply the formula to the simulation of time-dependent XPD profiles from both dissociating I2 molecules and bending C S2 molecules. The dependence of nuclear wave-packet motions on the intensity and shape of the optical laser pulses is examined. As a result, the XPD simulations based on such nuclear wave-packet calculations are observed to exhibit characteristic features, which are compared with the XPD profiles due to classical trajectories of nuclear motions. The present study provides a methodology toward creating "molecular movies" of ultrafast photochemical reactions by means of femtosecond XPD with x-ray free-electron lasers.

Filming nuclear dynamics of iodine using x-ray diffraction at the LCLS

NASA Astrophysics Data System (ADS)

Ware, Matthew; Natan, Adi; Glownia, James; Cryan, James; Bucksbaum, Phil

2017-04-01

We will provide an overview of our analysis of the nuclear dynamics of iodine. At the LCLS, we pumped a gas cell of iodine with a weak 520nm, 50 fs pulse, and the nuclear dynamics are then probed with 9 keV, 40 fs x-rays with variable time delay. This allows us to simultaneously image nuclear wavepackets on the dissociating A state, on the bound B state, and even Raman wavepackets in the ground electronic state. We will explain at length how we isolate each of these signals using a Legendre decomposition of our x-ray data and the selection rules for each of the transitions. Likewise, we will discuss how we convert the x-ray diffraction patterns into real-space movies of the nuclear dynamics. Research supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Atomic, Molecular, and Optical Science Program. Use of LCLS supported under DOE Contract No. DE-AC02-76F00515.

Magneto-structural studies of sol-gel synthesized nanocrystalline manganese substituted nickel ferrites

NASA Astrophysics Data System (ADS)

Pandav, R. S.; Patil, R. P.; Chavan, S. S.; Mulla, I. S.; Hankare, P. P.

2016-11-01

Nanocrystalline NiFe2-xMnxO4 (2≥x≥0) ferrites were prepared by sol-gel method. X-ray diffraction patterns reveal that synthesized compounds are in single phase cubic spinel lattice for all the composition. The surface morphology of all the samples were studied by scanning electron microscopy. The particle size measured from transmission electron microscopy and X-ray diffraction patterns confirms the nanosized dimension of the as-prepared powder. The elemental analysis was carried out by energy dispersive X-ray analysis technique. Magnetic properties such as saturation magnetization, coercivity and remanence are studied as a function of increasing Mn concentration at room temperature. The saturation magnetization shows a decreasing trend with increase in Mn content. The substitution of manganese in the nickel ferrite affects the structural and magnetic properties of cubic spinels.

Analysis of the transient response of nuclear spins in GaAs with/without nuclear magnetic resonance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rasly, Mahmoud; Lin, Zhichao; Yamamoto, Masafumi

As an alternative to studying the steady-state responses of nuclear spins in solid state systems, working within a transient-state framework can reveal interesting phenomena. The response of nuclear spins in GaAs to a changing magnetic field was analyzed based on the time evolution of nuclear spin temperature. Simulation results well reproduced our experimental results for the transient oblique Hanle signals observed in an all-electrical spin injection device. The analysis showed that the so called dynamic nuclear polarization can be treated as a cooling tool for the nuclear spins: It works as a provider to exchange spin angular momentum between polarizedmore » electron spins and nuclear spins through the hyperfine interaction, leading to an increase in the nuclear polarization. In addition, a time-delay of the nuclear spin temperature with a fast sweep of the external magnetic field produces a possible transient state for the nuclear spin polarization. On the other hand, the nuclear magnetic resonance acts as a heating tool for a nuclear spin system. This causes the nuclear spin temperature to jump to infinity: i.e., the average nuclear spins along with the nuclear field vanish at resonant fields of {sup 75}As, {sup 69}Ga and {sup 71}Ga, showing an interesting step-dip structure in the oblique Hanle signals. These analyses provide a quantitative understanding of nuclear spin dynamics in semiconductors for application in future computation processing.« less

Dynamic nuclear magnetic resonance field sensing with part-per-trillion resolution

PubMed Central

Gross, Simon; Barmet, Christoph; Dietrich, Benjamin E.; Brunner, David O.; Schmid, Thomas; Pruessmann, Klaas P.

2016-01-01

High-field magnets of up to tens of teslas in strength advance applications in physics, chemistry and the life sciences. However, progress in generating such high fields has not been matched by corresponding advances in magnetic field measurement. Based mostly on nuclear magnetic resonance, dynamic high-field magnetometry is currently limited to resolutions in the nanotesla range. Here we report a concerted approach involving tailored materials, magnetostatics and detection electronics to enhance the resolution of nuclear magnetic resonance sensing by three orders of magnitude. The relative sensitivity thus achieved amounts to 1 part per trillion (10−12). To exemplify this capability we demonstrate the direct detection and relaxometry of nuclear polarization and real-time recording of dynamic susceptibility effects related to human heart function. Enhanced high-field magnetometry will generally permit a fresh look at magnetic phenomena that scale with field strength. It also promises to facilitate the development and operation of high-field magnets. PMID:27910860

The design of photoelectric signal processing system for a nuclear magnetic resonance gyroscope based on FPGA

NASA Astrophysics Data System (ADS)

Zhang, Xian; Zhou, Binquan; Li, Hong; Zhao, Xinghua; Mu, Weiwei; Wu, Wenfeng

2017-10-01

Navigation technology is crucial to the national defense and military, which can realize the measurement of orientation, positioning, attitude and speed for moving object. Inertial navigation is not only autonomous, real-time, continuous, hidden, undisturbed but also no time-limited and environment-limited. The gyroscope is the core component of the inertial navigation system, whose precision and size are the bottleneck of the performance. However, nuclear magnetic resonance gyroscope is characteristic of the advantage of high precision and small size. Nuclear magnetic resonance gyroscope can meet the urgent needs of high-tech weapons and equipment development of new generation. This paper mainly designs a set of photoelectric signal processing system for nuclear magnetic resonance gyroscope based on FPGA, which process and control the information of detecting laser .The photoelectric signal with high frequency carrier is demodulated by in-phase and quadrature demodulation method. Finally, the processing system of photoelectric signal can compensate the residual magnetism of the shielding barrel and provide the information of nuclear magnetic resonance gyroscope angular velocity.

Phase diagram of multiferroic KCu3As2O7(OD ) 3

NASA Astrophysics Data System (ADS)

Nilsen, Gøran J.; Simonet, Virginie; Colin, Claire V.; Okuma, Ryutaro; Okamoto, Yoshihiko; Tokunaga, Masashi; Hansen, Thomas C.; Khalyavin, Dmitry D.; Hiroi, Zenji

2017-06-01

The layered compound KCu3As2O7(OD ) 3 , comprising distorted kagome planes of S =1 /2 Cu2 + ions, is a recent addition to the family of type-II multiferroics. Previous zero-field neutron diffraction work has found two helically ordered regimes in KCu3As2O7(OD ) 3 , each showing a distinct coupling between the magnetic and ferroelectric order parameters. Here, we extend this work to magnetic fields up to 20 T using neutron powder diffraction, capacitance, polarization, and high-field magnetization measurements, hence determining the H -T phase diagram. We find metamagnetic transitions in both low-temperature phases around μ0Hc˜3.7 T, which neutron powder diffraction reveals to correspond to rotations of the helix plane away from the easy plane, as well as a small change in the propagation vector. Furthermore, we show that the sign of the ferroelectric polarization is reversible in a magnetic field, although no change is observed (or expected on the basis of the magnetic structure) due to the transition at 3.7 T. We finally justify the temperature dependence of the polarization in both zero-field ordered phases by a symmetry analysis of the free energy expansion, and attempt to account for the metamagnetic transition by adding anisotropic exchange interactions to our existing model for KCu3As2O7(OD ) 3 .

Neutron diffraction study and theoretical analysis of the antiferromagnetic order and the diffuse scattering in the layered kagome system CaBaCo2Fe2O7

NASA Astrophysics Data System (ADS)

Reim, J. D.; Rosén, E.; Zaharko, O.; Mostovoy, M.; Robert, J.; Valldor, M.; Schweika, W.

2018-04-01

The hexagonal swedenborgite, CaBaCo2Fe2O7 , is a chiral frustrated antiferromagnet, in which magnetic ions form alternating kagome and triangular layers. We observe a long-range √{3 }×√{3 } antiferromagnetic order setting in below TN=160 K by neutron diffraction on single crystals of CaBaCo2Fe2O7 . Both magnetization and polarized neutron single crystal diffraction measurements show that close to TN spins lie predominantly in the a b plane, while upon cooling the spin structure becomes increasingly canted due to Dzyaloshinskii-Moriya interactions. The ordered structure can be described and refined within the magnetic space group P 31 m' . Diffuse scattering between the magnetic peaks reveals that the spin order is partial. Monte Carlo simulations based on a Heisenberg model with two nearest-neighbor exchange interactions show a similar diffuse scattering and coexistence of the √{3 }×√{3 } order with disorder. The coexistence can be explained by the freedom to vary spins without affecting the long-range order, which gives rise to ground-state degeneracy. Polarization analysis of the magnetic peaks indicates the presence of long-period cycloidal spin correlations resulting from the broken inversion symmetry of the lattice, in agreement with our symmetry analysis.

A neutron diffraction study of the magnetic phases of CsCuCl3 for in-plane fields up to 17 T

NASA Astrophysics Data System (ADS)

Stüßer, N.; Schotte, U.; Hoser, A.; Meschke, M.; Meißner, M.; Wosnitza, J.

2002-05-01

Neutron diffraction investigations have been performed to study the magnetization process of CsCuCl3 with the magnetic field aligned within the ab-plane. In zero field the stacked, triangular-lattice antiferromagnet (TLA) CsCuCl3 has a helical structure incommensurate in the chain direction normal to the ab-plane. The magnetic phase diagram was investigated from 2 K up to TN in fields up to 17 T. The phase line for the expected incommensurate-commensurate (IC-C) phase transition could be determined throughout the whole phase diagram. At low temperature the IC-C transition is roughly at half the saturation field HS. The neutron diffraction patterns were found to be well described by a sinusoidally modulated spiral in fields up to HS/3. The initial increase of the scattering intensity in rising field indicates a continuous reduction of the spin frustration on the triangular lattice. Between HS/3 and HS/2 a new phase occurs where the spiral vector has a plateau in its field dependence. Close to the IC-C transition a growing asymmetry of magnetic satellite-peak intensities indicates domain effects which are related to the lifting of the chiral degeneracy in the ab-plane in rising field. The phase diagram obtained has some similarities with those calculated for stacked TLAs by considering the effects of quantum and thermal fluctuations.

Structural and electronic evolution of Cr[subscript 2]O[subscript 3] on compression to 55 GPa

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dera, Przemyslaw; Lavina, Barbara; Meng, Yue

2016-08-15

Synchrotron single-crystal x-ray diffraction experiments have been performed on corundum-type Cr{sub 2}O{sub 3} up to a pressure of 55 GPa in Ne and He pressure transmitting media. Diffraction experiments were complemented by measurements of optical absorption spectra with single crystal samples up to 60 GPa. Results of the diffraction data analysis rule out the earlier reported monoclinic distortion at 15-30 GPa, but indicate evidence of two discontinuous transitions of electronic or magnetic nature, most likely associated with a change in magnetic ordering and charge transfer. The compression mechanism established from single crystal refinements indicates much smaller distortion of the Cr{supmore » 3+} coordination environment than was previously assumed.« less

J1-J2 square lattice antiferromagnetism in the orbitally quenched insulator MoOPO4

NASA Astrophysics Data System (ADS)

Yang, L.; Jeong, M.; Babkevich, P.; Katukuri, V. M.; Náfrádi, B.; Shaik, N. E.; Magrez, A.; Berger, H.; Schefer, J.; Ressouche, E.; Kriener, M.; Živković, I.; Yazyev, O. V.; Forró, L.; Rønnow, H. M.

2017-07-01

We report magnetic and thermodynamic properties of a 4 d1 (Mo5 +) magnetic insulator MoOPO4 single crystal, which realizes a J1-J2 Heisenberg spin-1 /2 model on a stacked square lattice. The specific-heat measurements show a magnetic transition at 16 K which is also confirmed by magnetic susceptibility, ESR, and neutron diffraction measurements. Magnetic entropy deduced from the specific heat corresponds to a two-level degree of freedom per Mo5 + ion, and the effective moment from the susceptibility corresponds to the spin-only value. Using ab initio quantum chemistry calculations, we demonstrate that the Mo5 + ion hosts a purely spin-1 /2 magnetic moment, indicating negligible effects of spin-orbit interaction. The quenched orbital moments originate from the large displacement of Mo ions inside the MoO6 octahedra along the apical direction. The ground state is shown by neutron diffraction to support a collinear Néel-type magnetic order, and a spin-flop transition is observed around an applied magnetic field of 3.5 T. The magnetic phase diagram is reproduced by a mean-field calculation assuming a small easy-axis anisotropy in the exchange interactions. Our results suggest 4 d molybdates as an alternative playground to search for model quantum magnets.

Time-resolved measurements with streaked diffraction patterns from electrons generated in laser plasma wakefield

NASA Astrophysics Data System (ADS)

He, Zhaohan; Nees, John; Hou, Bixue; Krushelnick, Karl; Thomas, Alec; Beaurepaire, Benoît; Malka, Victor; Faure, Jérôme

2013-10-01

Femtosecond bunches of electrons with relativistic to ultra-relativistic energies can be robustly produced in laser plasma wakefield accelerators (LWFA). Scaling the electron energy down to sub-relativistic and MeV level using a millijoule laser system will make such electron source a promising candidate for ultrafast electron diffraction (UED) applications due to the intrinsic short bunch duration and perfect synchronization with the optical pump. Recent results of electron diffraction from a single crystal gold foil, using LWFA electrons driven by 8-mJ, 35-fs laser pulses at 500 Hz, will be presented. The accelerated electrons were collimated with a solenoid magnetic lens. By applying a small-angle tilt to the magnetic lens, the diffraction pattern can be streaked such that the temporal evolution is separated spatially on the detector screen after propagation. The observable time window and achievable temporal resolution are studied in pump-probe measurements of photo-induced heating on the gold foil.

Nuclear spin circular dichroism.

PubMed

Vaara, Juha; Rizzo, Antonio; Kauczor, Joanna; Norman, Patrick; Coriani, Sonia

2014-04-07

Recent years have witnessed a growing interest in magneto-optic spectroscopy techniques that use nuclear magnetization as the source of the magnetic field. Here we present a formulation of magnetic circular dichroism (CD) due to magnetically polarized nuclei, nuclear spin-induced CD (NSCD), in molecules. The NSCD ellipticity and nuclear spin-induced optical rotation (NSOR) angle correspond to the real and imaginary parts, respectively, of (complex) quadratic response functions involving the dynamic second-order interaction of the electron system with the linearly polarized light beam, as well as the static magnetic hyperfine interaction. Using the complex polarization propagator framework, NSCD and NSOR signals are obtained at frequencies in the vicinity of optical excitations. Hartree-Fock and density-functional theory calculations on relatively small model systems, ethene, benzene, and 1,4-benzoquinone, demonstrate the feasibility of the method for obtaining relatively strong nuclear spin-induced ellipticity and optical rotation signals. Comparison of the proton and carbon-13 signals of ethanol reveals that these resonant phenomena facilitate chemical resolution between non-equivalent nuclei in magneto-optic spectra.

Strongly coupled electronic, magnetic, and lattice degrees of freedom in LaCo 5 under pressure

DOE PAGES

Stillwell, Ryan L.; Jeffries, Jason R.; McCall, Scott K.; ...

2015-11-25

In this study, we have performed high-pressure magnetotransport and x-ray diffraction measurements on ferromagnetic LaCo 5, confirming the theoretically predicted electronic topological transition driving the magnetoelastic collapse seen in the related compound YCo 5. Our x-ray diffraction results show an anisotropic lattice collapse of the c axis near 10 GPa that is also commensurate with a change in the majority charge carriers evident from high-pressure Hall effect measurements. The coupling of the electronic, magnetic, and lattice degrees of freedom is further substantiated by the evolution of the anomalous Hall effect, which couples to the magnetization of the ordered state ofmore » LaCo 5.« less

URu2Si2 under intense magnetic fields: From hidden order to spin-density wave

NASA Astrophysics Data System (ADS)

Knafo, W.; Aoki, D.; Scheerer, G. W.; Duc, F.; Bourdarot, F.; Kuwahara, K.; Nojiri, H.; Regnault, L.-P.; Flouquet, J.

2018-05-01

A review of recent state-of-the-art pulsed field experiments performed on URu2Si2 under a magnetic field applied along its easy magnetic axis c is given. Resistivity, magnetization, magnetic susceptibility, Shubnikov-de Haas, and neutron diffraction experiments are presented, permitting to emphasize the relationship between Fermi surface reconstructions, the destruction of the hidden-order and the appearance of a spin-density wave state in a high magnetic field.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gómez, A. M., E-mail: amgomezl-1@uqvirtual.edu.co; Torres, D. A., E-mail: datorresg@unal.edu.co

The experimental study of nuclear magnetic moments, using the Transient Field technique, makes use of spin-orbit hyperfine interactions to generate strong magnetic fields, above the kilo-Tesla regime, capable to create a precession of the nuclear spin. A theoretical description of such magnetic fields is still under theoretical research, and the use of parametrizations is still a common way to address the lack of theoretical information. In this contribution, a review of the main parametrizations utilized in the measurements of Nuclear Magnetic Moments will be presented, the challenges to create a theoretical description from first principles will be discussed.

Magnetic order and electronic structure of 5d 3 double perovskite Sr 2ScOsO 6

DOE PAGES

Taylor, A. E.; Morrow, R.; Singh, D. J.; ...

2015-03-01

The magnetic susceptibility, crystal and magnetic structures, and electronic structure of double perovskite Sr 2ScOsO 6 are reported. Using both neutron and x-ray powder diffraction we find that the crystal structure is monoclinic P21/n from 3.5 to 300 K. Magnetization measurements indicate an antiferromagnetic transition at TN=92 K, one of the highest transition temperatures of any double perovskite hosting only one magnetic ion. Type I antiferromagnetic order is determined by neutron powder diffraction, with an Os moment of only 1.6(1) muB, close to half the spin-only value for a crystal field split 5d electron state with t2g^3 ground state. Densitymore » functional calculations show that this reduction is largely the result of strong Os-O hybridization, with spin-orbit coupling responsible for only a ~0.1 muB reduction in the moment.« less

Preparation and structural characterization of vulcanized natural rubber nanocomposites containing nickel-zinc ferrite nanopowders.

PubMed

Bellucci, F S; Salmazo, L O; Budemberg, E R; da Silva, M R; Rodríguez-Pérez, M A; Nobre, M A L; Job, A E

2012-03-01

Single-phase polycrystalline mixed nickel-zinc ferrites belonging to Ni0.5Zn0.5Fe2O4 were prepared on a nanometric scale (mean crystallite size equal to 14.7 nm) by chemical synthesis named the modified poliol method. Ferrite nanopowder was then incorporated into a natural rubber matrix producing nanocomposites. The samples were investigated by means of infrared spectroscopy, X-ray diffraction, scanning electron microscopy and magnetic measurements. The obtained results suggest that the base concentration of nickel-zinc ferrite nanoparticles inside the polymer matrix volume greatly influences the magnetic properties of nanocomposites. A small quantity of nanoparticles, less than 10 phr, in the nanocomposite is sufficient to produce a small alteration in the semi-crystallinity of nanocomposites observed by X-ray diffraction analysis and it produces a flexible magnetic composite material with a saturation magnetization, a coercivity field and an initial magnetic permeability equal to 3.08 emu/g, 99.22 Oe and 9.42 x 10(-5) respectively.

Synthesis, structure and magnetic properties of Sr{sub 2}Fe{sub 1-x}Ga{sub x}MoO{sub 6} (0 {<=} x {<=} 0.6) double perovskites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Azad, Abul K., E-mail: aka7@st-andrews.ac.uk; Khan, Abdullah; Eriksson, Sten-G.

2009-12-15

Polycrystalline Sr{sub 2}Fe{sub 1-x}Ga{sub x}MoO{sub 6} (0 {<=} x {<=} 0.6) materials have been synthesized by solid state reaction method and studied by neutron powder diffraction (NPD) and magnetization measurements. Rietveld analysis of the temperature dependent NPD data shows that the compounds crystallize in the tetragonal symmetry in the space group I4/m. The anti-site (AS) defects concentration increases with Ga doping, giving rise to highly B-site disordered materials. Ga doping at the Fe-site decreases the cell volume. The evolution of bond lengths and the cation oxidation states was determined from the Rietveld refinement data. The saturation magnetization and Curie temperaturemore » decreased with the increasing Ga content in the samples. Low temperature neutron diffraction data analysis and magnetization measurements confirm the magnetic interaction as ferrimagnetic in the sample.« less

Testing quantum chromodynamics in electroproduction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brodsky, S.J.

1987-05-01

The exclusive channels in electroproduction are discussed. The study of color transparency, the formation zone, and other novel aspects of QCD by measuring exclusive reactions inside nuclear targets is covered. Diffractive electroproduction channels are discussed, and exclusive nuclear processes in QCD are examined. Non-additivity of nuclear structure functions (EMC effect) is also discussed, as well as jet coalescence in electroproduction. (LEW)

Comparative study of structural and magnetic properties of nano-crystalline Li 0.5Fe 2.5O 4 prepared by various methods

NASA Astrophysics Data System (ADS)

Verma, Vivek; Pandey, Vibhav; Singh, Sukhveer; Aloysius, R. P.; Annapoorni, S.; Kotanala, R. K.

2009-08-01

Lithium ferrite has been considered as one of the highly strategic magnetic material. Nano-crystalline Li 0.5Fe 2.5O 4 was prepared by four different techniques and characterized by X-ray diffraction, vibrating sample magnetometer (VSM), transmission electron microscope (TEM) and Fourier transform infrareds (FTIR). The effect of annealing temperature (700, 900 and 1050 °C) on microstructure has been correlated to the magnetic properties. From X-ray diffraction patterns, it is confirmed that the pure phase of lithium ferrite began to form at 900 °C annealing. The particle size of as-prepared lithium ferrite was observed around 40, 31, 22 and 93 nm prepared by flash combustion, sol-gel, citrate precursor and standard ceramic technique, respectively. Lithium ferrite prepared by citrate precursor method shows a maximum saturation magnetization 67.6 emu/g at 5 KOe.

Insights on the origin of the Tb5Ge4 magnetocaloric effect

DOE Office of Scientific and Technical Information (OSTI.GOV)

Belo, J. H.; Barbosa, M. B.; Pires, A. L.

2017-05-01

In this report the magnetic, atomic structures and spin-lattice coupling have been thoroughly studied through high magnetic field magnetometry, Synchrotron X-ray diffraction under applied magnetic field and magnetostriction measurements in the Tb5Ge4 compounds. A field induced phase transition from an antiferromagnetic towards a ferromagnetic ordering was confirmed but with absence of structural transformation. This absence has been confirmed experimentally through synchrotron x-ray diffraction under applied field (up to 30 T). Moreover, this absence was explained via a thermodynamic free energy model: first principles calculations determined a large energy gap (ΔE=0.65 eV) between the two possible structures, O(I) and O(II). Frommore » magnetic and structural properties, a H-T phase diagram has been proposed for Tb5Ge4. Finally it was observed a large magnetostriction (up to 600 ppm) induced by ΔH=7 T.« less

Structural and magnetic properties of nanocrystalline NiFe2O4 thin film prepared by spray pyrolysis technique

NASA Astrophysics Data System (ADS)

Chavan, Apparao R.; Chilwar, R. R.; Shisode, M. V.; Hivrekar, Mahesh M.; Mande, V. K.; Jadhav, K. M.

2018-05-01

The nanocrystalline NiFe2O4 thin film has been prepared using a spray pyrolysis technique on glass substrate. The prepared thin film was characterized by using X-ray diffraction (XRD), Fourier transform Infrared spectroscopy (FTIR), and Field Emission-Scanning Electron Microscopy (FE-SEM) characterization techniques for the structural and microstructural analysis. The magnetic property was measured using vibrating sample magnetometer (VSM) at room temperature. X-ray diffraction studies show the formation of single phase spinel structure of the thin film. The octahedral and tetrahedral vibration in the sample was studied by Fourier transform infrared (FT-IR) spectra. Magnetic hysteresis loop was recorded for thin film at room temperature. At 15 kOe, saturation magnetization (Ms) was found to increase while coercivity (Hc) decreases with thickness of the NiFe2O4 thin film.

Polarized Neutron Diffraction to Probe Local Magnetic Anisotropy of a Low-Spin Fe(III) Complex.

PubMed

Ridier, Karl; Mondal, Abhishake; Boilleau, Corentin; Cador, Olivier; Gillon, Béatrice; Chaboussant, Grégory; Le Guennic, Boris; Costuas, Karine; Lescouëzec, Rodrigue

2016-03-14

We have determined by polarized neutron diffraction (PND) the low-temperature molecular magnetic susceptibility tensor of the anisotropic low-spin complex PPh4 [Fe(III) (Tp)(CN)3]⋅H2O. We found the existence of a pronounced molecular easy magnetization axis, almost parallel to the C3 pseudo-axis of the molecule, which also corresponds to a trigonal elongation direction of the octahedral coordination sphere of the Fe(III) ion. The PND results are coherent with electron paramagnetic resonance (EPR) spectroscopy, magnetometry, and ab initio investigations. Through this particular example, we demonstrate the capabilities of PND to provide a unique, direct, and straightforward picture of the magnetic anisotropy and susceptibility tensors, offering a clear-cut way to establish magneto-structural correlations in paramagnetic molecular complexes. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Extended investigation of intermartensitic transitions in Ni-Mn-Ga magnetic shape memory alloys: A detailed phase diagram determination

NASA Astrophysics Data System (ADS)

Ćakιr, Aslι; Righi, Lara; Albertini, Franca; Acet, Mehmet; Farle, Michael; Aktürk, Selçuk

2013-11-01

Martensitic transitions in shape memory Ni-Mn-Ga Heusler alloys take place between a high temperature austenite and a low temperature martensite phase. However, intermartensitic transformations have also been encountered that occur from one martensite phase to another. To examine intermartensitic transitions in magnetic shape memory alloys in detail, we carried out temperature dependent magnetization, resistivity, and x-ray diffraction measurements to investigate the intermartensitic transition in Ni50Mn50-xGax in the composition range 12≤x≤25 at. %. Rietveld refined x-ray diffraction results are found to be consistent with magnetization and resistivity data. Depending on composition, we observe that intermartensitic transitions occur in the sequences 7M→L10, 5M →7M, and 5M→7M→L10 with decreasing temperature. The L10 non-modulated structure is most stable at low temperature.

Leading twist nuclear shadowing phenomena in hard processes with nuclei

DOE PAGES

L. Franfurt; Guzey, V.; Strikman, M.

2012-01-08

We present and discuss the theory and phenomenology of the leading twist theory of nuclear shadowing which is based on the combination of the generalization of Gribov-Glauber theory, QCD factorization theorems, and HERA QCD analysis of diffraction in lepton-proton deep inelastic scattering (DIS). We apply this technique for the analysis of a wide range of hard processes with nuclei-inclusive DIS on deuterons, medium-range and heavy nuclei, coherent and incoherent diffractive DIS with nuclei, and hard diffraction in proton-nucleus scattering - and make predictions for the effect of nuclear shadowing in the corresponding sea quark and gluon parton distributions. We alsomore » analyze the role of the leading twist nuclear shadowing in generalized parton distributions in nuclei and certain characteristics of final states in nuclear DIS. We discuss the limits of applicability of the leading twist approximation for small x scattering off nuclei and the onset of the black disk regime and methods of detecting it. It will be possible to check many of our predictions in the near future in the studies of the ultraperipheral collisions at the Large Hadron Collider (LHC). Further checks will be possible in pA collisions at the LHC and forward hadron production at Relativistic Heavy Ion Collider (RHIC). As a result, detailed tests will be possible at an Electon-Ion Collider (EIC) in USA and at the Large Hadron-Electron Collider (LHeC) at CERN.« less

Zigzag spin structure in layered honeycomb L i3N i2Sb O6 : A combined diffraction and antiferromagnetic resonance study

NASA Astrophysics Data System (ADS)

Kurbakov, A. I.; Korshunov, A. N.; Podchezertsev, S. Yu.; Malyshev, A. L.; Evstigneeva, M. A.; Damay, F.; Park, J.; Koo, C.; Klingeler, R.; Zvereva, E. A.; Nalbandyan, V. B.

2017-07-01

The magnetic structure of L i3N i2Sb O6 has been determined by low-temperature neutron diffraction, and the crystal structure has been refined by a combination of synchrotron and neutron powder diffraction. The monoclinic (C 2 /m ) symmetry, assigned previously to this pseudohexagonal layered structure, has been unambiguously proven by peak splitting in the synchrotron diffraction pattern. The structure is based on essentially hexagonal honeycomb-ordered N i2Sb O6 layers alternating with L i3 layers, all cations and anions being in an octahedral environment. The compound orders antiferromagnetically below TN=15 K , with the magnetic supercell being a 2 a ×2 b multiple of the crystal cell. The magnetic structure within the honeycomb layer consists of zigzag ferromagnetic spin chains coupled antiferromagnetically. The ordered magnetic moment amounts to 1.62 (2 ) μB/Ni , which is slightly lower than the full theoretical value. Upon cooling below TN, the spins tilt from the c axis, with a maximum tilting angle of 15 .6∘ at T =1.5 K . Our data imply non-negligible ferromagnetic interactions between the honeycomb layers. The observed antiferromagnetic resonance modes are in agreement with the two-sublattice model derived from the neutron data. Orthorhombic anisotropy shows up in zero-field splitting of Δ =198 ±4 and 218 ±4 GHz . Above TN, the electron spin resonance data imply short-range antiferromagnetic order up to about 80 K.

Cu-Ag alloy Bitter type magnet for repeating pulsed field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Motokawa, M.; Nojiri, H.; Mitsudo, S.

1996-07-01

Cu-Ag alloy is used for the repeating pulsed field magnets. It is found that fields up to 22 T or more will be available for this purpose instead of 16 T which is obtained with normal copper magnet used at present. This result is a big advantage for neutron diffraction experiments.

Soft x-ray coherent diffraction imaging on magnetic nanostructures

NASA Astrophysics Data System (ADS)

Shi, Xiaowen; Lee, James; Mishra, Shrawan; Parks, Daniel; Tyliszczak, Tolek; Shapiro, David; Roy, Sujoy; Kevan, Steve; Stxm Team At Als Collaboration; Soft X-Ray Microscopy Group At Als Collaboration; Soft X-ray scattering at ALS, LBL Team

2014-03-01

Coherent soft X-rays diffraction imaging enable coherent magnetic resonance scattering at transition metal L-edge to be probed so that magnetic domains could be imaged with very high spatial resolution with phase contrast, reaching sub-10nm. One of the overwhelming advantages of using coherent X-rays is the ability to resolve phase contrast images with linearly polarized light with both phase and absorption contrast comparing to real-space imaging, which can only be studied with circularly polarized light with absorption contrast only. Here we report our first results on high-resolution of magnetic domains imaging of CoPd multilayer thin film with coherent soft X-ray ptychography method. We are aiming to resolve and understand magnetic domain wall structures with the highest obtainable resolution here at Advanced Light Source. In principle types of magnetic domain walls could be studied so that Neel or Bloch walls can be distinguished by imaging. This work at LBNL was supported by the Director, Office of Science, Office of Basic Energy Sciences, of the US Department of Energy (contract no. DE-AC02- 05CH11231).

Preparation and characterization of hydroxyapatite-coated iron oxide particles by spray-drying technique.

PubMed

Donadel, Karina; Felisberto, Marcos D V; Laranjeira, Mauro C M

2009-06-01

Magnetic particles of iron oxide have been increasingly used in medical diagnosis by magnetic resonance imaging and in cancer therapies involving targeted drug delivery and magnetic hyperthermia. In this study we report the preparation and characterization of iron oxide particles coated with bioceramic hydroxyapatite by spray-drying. The iron oxide magnetic particles (IOMP) were coated with hydroxyapatite (HAp) by spray-drying using two IOMP/HAp ratios (0.7 and 3.2). The magnetic particles were characterized by way of scanning electronic microscopy, energy dispersive X-ray, X-ray diffraction, Fourier transformed infrared spectroscopy, flame atomic absorption spectrometry,vibrating sample magnetometry and particle size distribution (laser diffraction). The surface morphology of the coated samples is different from that of the iron oxide due to formation of hydroxyapatite coating. From an EDX analysis, it was verified that the surface of the coated magnetic particles is composed only of HAp, while the interior containsiron oxide and a few layers of HAp as expected. The results showed that spray-drying technique is an efficient and relatively inexpensive method for forming spherical particles with a core/shell structure.

The impact of chemical doping on the magnetic state of the Sr{sub 2}YRuO{sub 6} double perovskite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kayser, Paula; Ranjbar, Ben; Kennedy, Brendan J.

The impact of chemical doping of the type Sr{sub 2−x}A{sub x}YRuO{sub 6} (A=Ca, Ba) on the low temperature magnetic properties of Sr{sub 2}YRuO{sub 6}, probed using variable temperature magnetic susceptibility, neutron diffraction and heat capacity measurements, are described. Specific-heat measurements of un-doped Sr{sub 2}YRuO{sub 6} reveal two features at ∼26 and ∼30 K. Neutron scattering measurements at these temperatures are consistent with a change from a 2D ordered state to the 3D type 1 AFM state. Magnetic and structural studies of a number of doped oxides are described that highlight the unique low temperature behavior of Sr{sub 2}YRuO{sub 6} andmore » demonstrate that doping destabilizes the intermediate 2D ordered state. - Graphical abstract: Neutron diffraction measurements of the ordered double perovskite Sr{sub 2}YRuO{sub 6}reveal a with a change from a 2D ordered state to the 3D type 1 AFM state upon cooling. The impact of chemical doping Sr{sub 2−x}A{sub x}YRuO{sub 6} (A=Ca, Ba) on the low temperature magnetic properties have also been investigated and these highlight the unique low temperature behavior of Sr{sub 2}YRuO{sub 6} with doping destabilizing the intermediate 2D ordered state. - Highlights: • Crystal and Magnetic Structure of Sr{sub 2}YRuO{sub 3} was studied using Neutron Diffraction. • Effect of doping on the magnetic ground state established. • Origin of two low temperature transitions discussed.« less

Diffractometric Detection of Proteins using Microbead-based Rolling Circle Amplification

PubMed Central

Lee, Joonhyung; Icoz, Kutay; Roberts, Ana; Ellington, Andrew D.; Savran, Cagri A.

2010-01-01

We present a robust, sensitive, fluorescent or radio label-free self-assembled optical diffraction biosensor that utilizes rolling circle amplification (RCA) and magnetic microbeads as a signal enhancement method. An aptamer-based sandwich assay was performed on microcontact-printed streptavidin arranged in 15-μm-wide alternating lines, and could specifically capture and detect platelet-derived growth factor B-chain (PDGF-BB). An aptamer served as a template for the ligation of a padlock probe and the circularized probe could in turn be used as a template for RCA. The concatameric RCA product hybridized to biotinylated oligonuclotides which then captured streptavidin-labeled magnetic beads. In consequence, the signal from the captured PDGF-BB was amplified via the concatameric RCA product, and the diffraction gratings on the printed areas produced varying intensities of diffraction modes. The detected diffraction intensity and the density of the microbeads on the surface varied as a function of PDGF-BB concentration. Our results demonstrate a robust biosensing platform that is easy to construct and use, and devoid of fluorescence microscopy. The self-assembled bead patterns allow both a visual analysis of the molecular binding events under an ordinary bright-field microscope and serve as a diffraction grating biosensor. PMID:19947589

Synthesis and structure of a stuffed derivative of α-quartz, Mg 0.5AlSiO 4

DOE PAGES

Xu, Hongwu; Heaney, Peter J.; Yu, Ping; ...

2015-10-01

A structural derivative of quartz with the composition Mg 0.5AlSiO 4 has been grown from glass and characterized using synchrotron X-ray diffraction (XRD), transmission electron microscopy (TEM), and 29Si nuclear magnetic resonance (NMR) spectroscopy. Rietveld analysis of the XRD data indicates that the framework of Mg 0.5AlSiO 4 is isostructural with α-quartz, rather than β-quartz, as is consistent with previous theoretical modeling (Sternitzke and Müller 1991). Al and Si exhibit long-range disorder over the framework tetrahedral sites, indicated by the absence of the superlattice reflections corresponding to the doubling of c relative to that of quartz. Nevertheless, 29Si NMR measurementsmore » show that Al and Si exhibit partial short-range order with an ordering degree of 56%. Electron diffraction reveals superlattice reflections indicative of doubled periodicities along the a-axes. In conclusion, Fourier electron density maps show that Mg occupies channel sites that each are bonded to six O atoms, in contrast to the tetrahedral coordination of Li in the β-quartz-type framework for β-eucryptite, LiAlSiO 4. Furthermore, the concentrations of Mg in adjacent channels are different, resulting in framework distortions that generate the superstructures along a.« less

In vitro feasibility study of the use of a magnetic electrospun chitosan nanofiber composite for hyperthermia treatment of tumor cells.

PubMed

Lin, Ta-Chun; Lin, Feng-Huei; Lin, Jui-Che

2012-07-01

Hyperthermia has been reported to be an effective cancer treatment modality, as tumor cells are more temperature-sensitive than their normal counterparts. Since the ambient temperature can be increased by placing magnetic nanoparticles in an alternating magnetic field it has become of interest to incorporate these magnetic nanoparticles into biodegradable nanofibers for possible endoscopic hyperthermia treatment of malignant tumors. In this preliminary investigation we have explored various characteristics of biodegradable electrospun chitosan nanofibers containing magnetic nanoparticles prepared by different methods. These methods included: (1) E-CHS-Fe(3)O(4), with electrospun chitosan nanofibers directly immersed in a magnetic nanoparticle solution; (2) E-CHS-Fe(2+), with the electrospun chitosan nanofibers initially immersed in Fe(+2)/Fe(+3) solution, followed by chemical co-precipitation of the magnetic nanoparticles. The morphology and crystalline phase of the magnetic electrospun nanofiber matrices were determined by scanning electron microscopy, transmission electron microscopy, selected area electron diffraction, and X-ray diffraction spectroscopy. The magnetic characteristics were measured using a superconducting quantum interference device. The heating properties of these magnetic electrospun nanofiber matrices in an alternating magnetic field were investigated at a frequency of 750 kHz and magnetic intensity of 6.4 kW. In vitro cell incubation experiments indicated that these magnetic electrospun nanofiber matrices are non-cytotoxic and can effectively reduce tumor cell proliferation upon application of a magnetic field. Copyright © 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

High pressure floating zone growth and structural properties of ferrimagnetic quantum paraelectric BaFe{sub 12}O{sub 19}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cao, H. B.; Zhao, Z. Y.; Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee 37996

2015-06-01

High quality single crystals of BaFe{sub 12}O{sub 19} were grown using the floating zone technique in 100 atm of flowing oxygen. Single crystal neutron diffraction was used to determine the nuclear and magnetic structures of BaFe{sub 12}O{sub 19} at 4 K and 295 K. At both temperatures, there exist local electric dipoles formed by the off-mirror-plane displacements of magnetic Fe{sup 3+} ions at the bipyramidal sites. The displacement at 4 K is about half of that at room temperature. The temperature dependence of the specific heat shows no anomaly associated with long range polar ordering in the temperature range frommore » 1.90 to 300 K. The inverse dielectric permittivity, 1/ε, along the c-axis shows a T{sup 2} temperature dependence between 10 K and 20 K, with a significantly reduced temperature dependence displayed below 10 K. Moreover, as the sample is cooled below 1.4 K there is an anomalous sharp upturn in 1/ε. These features resemble those of classic quantum paraelectrics such as SrTiO{sub 3}. The presence of the upturn in 1/ε indicates that BaFe{sub 12}O{sub 19} is a critical quantum paraelectric system with Fe{sup 3+} ions involved in both magnetic and electric dipole formation.« less

Structural and physical property study of sol-gel synthesized CoFe2-xHoxO4 nano ferrites

NASA Astrophysics Data System (ADS)

Patankar, K. K.; Ghone, D. M.; Mathe, V. L.; Kaushik, S. D.

2018-05-01

CoFe2-xHoxO4 (x = 0.00, 0.05, 0.10, 0.15, 0.20) ferrites were prepared by the suitably modified Sol-Gel technique. X-ray diffraction (XRD) analysis revealed that the substituted samples show phase pure formation till 10% substitution, which is far higher phase pure than the earlier reports. Upon further substitution an inevitable secondary phase of HoFeO3 along with the spinel phase despite regulating synthesis parameters in the sol-gel reaction route. These results are further corroborated more convincingly by room temperature neutron diffraction. Morphological features of the ferrites were studied by Scanning Electron Microscopy (SEM). The magnetic parameters viz. the saturation magnetization (Ms), coercivity (Hc) and remanence (Mr) were determined from room temperature isothermal magnetization. These parameters were found to decrease with increase in Ho substitution. The decrease in magnetization is analyzed in the light of exchange interactions between rare earth and transition metal ions. Magnetostriction measurements revealed interesting results and the presence of a secondary phase was found to be responsible for decreased measu-red magnetostriction values. The solubility limit of Ho in CoFe2O4 lattice is also reflected from the X-ray and neutron diffraction analysis and magnetostriction studies.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Larson, Amber M.; Wilfong, Brandon; Moetakef, Pouya

A metal–insulator transition tuned by application of an external magnetic field occurs in the quasi-one dimensional system Bi1.7V8O16, which contains a mix of S = 1 and S = 1/2 vanadium cations. Unlike all other known vanadates, the magnetic susceptibility of Bi1.7V8O16 diverges in its insulating state, although no long-range magnetic ordering is observed from neutron diffraction measurements, possibly due to the frustrated geometry of the triangular ladders. Magnetotransport measurements reveal that the transition temperature is suppressed upon application of an external magnetic field, from 62.5 K at zero field to 40 K at 8 T. This behavior is bothmore » hysteretic and anisotropic, suggesting t2g orbital ordering of the V3+ and V4+ cations drives a first-order structural transition. Single crystal X-ray diffraction reveals a charge density wave of Bi3+ cations with a propagation vector of 0.846c*, which runs parallel to the triangular chain direction. Neutron powder diffraction measurements show a first-order structural transition, characterized by the coexistence of two tetragonal phases near the metal–insulator transition. Finally, we discuss the likelihood that ferromagnetic V–V dimers coexist with a majority spin-singlet state below the transition in Bi1.7V8O16.« less

Growth, structure, and magnetic properties of γ-Fe2O3 epitaxial films on MgO

NASA Astrophysics Data System (ADS)

Gao, Y.; Kim, Y. J.; Thevuthasan, S.; Chambers, S. A.; Lubitz, P.

1997-04-01

Single-crystal epitaxial thin films of γ-Fe2O3(001) have been grown on MgO(001) using oxygen-plasma-assisted molecular beam epitaxy. The structure and magnetic properties of these films have been characterized by a variety of techniques, including reflection high-energy electron diffraction (RHEED), low-energy electron diffraction (LEED), x-ray photoelectron spectroscopy and x-ray photoelectron/Auger electron diffraction (XPD/AED), vibrating sample magnetometry, and ferromagnetic resonance. Real-time RHEED reveals that the film growth occurs in a layer-by-layer fashion. The γ-Fe2O3(001) film surface exhibits a (1×1) LEED pattern. The growth of γ-Fe2Ooverflow="scroll">3 films at 450 °C is accompanied by significant Mg outdiffusion. AED of Mg KLL Auger emission reveals that Mg substitutionally incorporates in the γ-Fe2O3 lattice, occupying the octahedral sites. Magnetic moments are ˜2300 G and ˜4500 G for γ-Fe2O3 films grown at 250 °C and 450 °C, respectively. The high magnetic moment for the films grown at 450 °C could be attributed to the high degree of structural order of the films and Mg substitution at octahedral sites.

Multidataset Refinement Resonant Diffraction, and Magnetic Structures

PubMed Central

Attfield, J. Paul

2004-01-01

The scope of Rietveld and other powder diffraction refinements continues to expand, driven by improvements in instrumentation, methodology and software. This will be illustrated by examples from our research in recent years. Multidataset refinement is now commonplace; the datasets may be from different detectors, e.g., in a time-of-flight experiment, or from separate experiments, such as at several x-ray energies giving resonant information. The complementary use of x rays and neutrons is exemplified by a recent combined refinement of the monoclinic superstructure of magnetite, Fe3O4, below the 122 K Verwey transition, which reveals evidence for Fe2+/Fe3+ charge ordering. Powder neutron diffraction data continue to be used for the solution and Rietveld refinement of magnetic structures. Time-of-flight instruments on cold neutron sources can produce data that have a high intensity and good resolution at high d-spacings. Such profiles have been used to study incommensurate magnetic structures such as FeAsO4 and β–CrPO4. A multiphase, multidataset refinement of the phase-separated perovskite (Pr0.35Y0.07Th0.04Ca0.04Sr0.5)MnO3 has been used to fit three components with different crystal and magnetic structures at low temperatures. PMID:27366599

Structure, magnetic properties, polarized neutron diffraction, and theoretical study of a copper(II) cubane.

PubMed

Aronica, Christophe; Chumakov, Yurii; Jeanneau, Erwann; Luneau, Dominique; Neugebauer, Petr; Barra, Anne-Laure; Gillon, Béatrice; Goujon, Antoine; Cousson, Alain; Tercero, Javier; Ruiz, Eliseo

2008-01-01

The paper reports the synthesis, X-ray and neutron diffraction crystal structures, magnetic properties, high field-high frequency EPR (HF-EPR), spin density and theoretical description of the tetranuclear CuII complex [Cu4L4] with cubane-like structure (LH2=1,1,1-trifluoro-7-hydroxy-4-methyl-5-aza-hept-3-en-2-one). The simulation of the magnetic behavior gives a predominant ferromagnetic interaction J1 (+30.5 cm(-1)) and a weak antiferromagnetic interaction J2 (-5.5 cm(-1)), which correspond to short and long Cu-Cu distances, respectively, as evidence from the crystal structure [see formulate in text]. It is in agreement with DFT calculations and with the saturation magnetization value of an S=2 ground spin state. HF-EPR measurements at low temperatures (5 to 30 K) provide evidence for a negative axial zero-field splitting parameter D (-0.25+/-0.01 cm(-1)) plus a small rhombic term E (0.025+/-0.001 cm(-1), E/D = 0.1). The experimental spin distribution from polarized neutron diffraction is mainly located in the basal plane of the CuII ion with a distortion of yz-type for one CuII ion. Delocalization on the ligand (L) is observed but to a smaller extent than expected from DFT calculations.

Search for the elusive magnetic state of hexagonal iron: The antiferromagnetic Fe71Ru29 hcp alloy

NASA Astrophysics Data System (ADS)

Petrillo, C.; Postorino, P.; Orecchini, A.; Sacchetti, F.

2018-03-01

The magnetic states of iron and their dependence on crystal structure represent an important case study for the physics of magnetism and its role in fundamental and applied science, including geophysical sciences. hcp iron is the most elusive structure as it exists only at high pressure but, at the same time, it is expected to be stable up to very high temperature. Exploring the magnetic state of pure Fe at high pressure is difficult and no conclusive results have been obtained. Simple binary alloys where the hexagonal phase of Fe is stabilized, offer a more controllable alternative to investigate iron magnetism. We carried out a neutron diffraction experiment on hcp Fe71Ru29 disordered alloy as a function of temperature. Fe in the hexagonal lattice of this specific alloy results to be antiferromagnetically aligned with a rather complex structure and a small magnetic moment. The temperature dependence suggests a Néel temperature TN = 124 ± 10 K, a value consistent with the low magnetic moment of 1.04 ± 0.10 μB obtained from the diffraction data that also suggest a non-commensurate magnetic structure with magnetic moments probably aligned along the c axis. The present data provide evidence for magnetic ordering in hcp Fe and support the theoretical description of magnetism of pure Fe at high pressure.

Simulations of molecular diffusion in lattices of cells: insights for NMR of red blood cells.

PubMed Central

Regan, David G; Kuchel, Philip W

2002-01-01

The pulsed field-gradient spin-echo (PGSE) nuclear magnetic resonance (NMR) experiment, conducted on a suspension of red blood cells (RBC) in a strong magnetic field yields a q-space plot consisting of a series of maxima and minima. This is mathematically analogous to a classical optical diffraction pattern. The method provides a noninvasive and novel means of characterizing cell suspensions that is sensitive to changes in cell shape and packing density. The positions of the features in a q-space plot characterize the rate of exchange across the membrane, cell dimensions, and packing density. A diffusion tensor, containing information regarding the diffusion anisotropy of the system, can also be derived from the PGSE NMR data. In this study, we carried out Monte Carlo simulations of diffusion in suspensions of "virtual" cells that had either biconcave disc (as in RBC) or oblate spheroid geometry. The simulations were performed in a PGSE NMR context thus enabling predictions of q-space and diffusion tensor data. The simulated data were compared with those from real PGSE NMR diffusion experiments on RBC suspensions that had a range of hematocrit values. Methods that facilitate the processing of q-space data were also developed. PMID:12080109

Materials Processing in Magnetic Fields

NASA Astrophysics Data System (ADS)

Schneider-Muntau, Hans J.; Wada, Hitoshi

The latest in lattice QCD -- Quark-gluon plasma physics -- String theory and exact results in quantum field theory -- The status of local supersymmetry.Supersymmetry in nuclei -- Inflation, dark matter, dark energy -- How many dimensions are really compactified? -- Horizons -- Neutrino oscillations physics -- Fundamental constants and their possible time dependence.Highlights from BNL. new phenomena at RHIC -- Highlights from BABAR -- Diffraction studied with a hard scale at HERA -- The large hadron collider: a status report -- Status of non-LHC experiments at CERN -- Highlights from Gran Sass.Fast automatic systems for nuclear emulsion scanning: technique and experiments -- Probing the QGP with charm at ALICE-LHC -- magnetic screening length in hot QCD -- Non-supersymmetric deformation of the Klebanov-Strassler model and the related plane wave theory -- Holographic renormalization made simple: an example -- The kamLAND impact on neutrino oscillations -- Particle identification with the ALIC TOF detector at very high multiplicity -- Superpotentials of N = 1 SUSY gauge theories -- Measurement of the proton structure function F2 in QED compton scattering at HERA -- Yang-Mills effective action at high temperature -- The time of flight (TOF) system of the ALICE experiment -- Almost product manifolds as the low energy geometry of Dirichlet Brane.

Simulations of molecular diffusion in lattices of cells: insights for NMR of red blood cells.

PubMed

Regan, David G; Kuchel, Philip W

2002-07-01

The pulsed field-gradient spin-echo (PGSE) nuclear magnetic resonance (NMR) experiment, conducted on a suspension of red blood cells (RBC) in a strong magnetic field yields a q-space plot consisting of a series of maxima and minima. This is mathematically analogous to a classical optical diffraction pattern. The method provides a noninvasive and novel means of characterizing cell suspensions that is sensitive to changes in cell shape and packing density. The positions of the features in a q-space plot characterize the rate of exchange across the membrane, cell dimensions, and packing density. A diffusion tensor, containing information regarding the diffusion anisotropy of the system, can also be derived from the PGSE NMR data. In this study, we carried out Monte Carlo simulations of diffusion in suspensions of "virtual" cells that had either biconcave disc (as in RBC) or oblate spheroid geometry. The simulations were performed in a PGSE NMR context thus enabling predictions of q-space and diffusion tensor data. The simulated data were compared with those from real PGSE NMR diffusion experiments on RBC suspensions that had a range of hematocrit values. Methods that facilitate the processing of q-space data were also developed.

Crystallographic and magnetic properties of the spinel-type ferrites ZnxCo1-xFe2O4 (0.0 ≤ x ≤ 0.75)

NASA Astrophysics Data System (ADS)

Azad, A. K.; Zakaria, A. K. M.; Jewel, Md. Yusuf; Khan, Abu Saeed; Yunus, S. M.; Kamal, I.; Datta, T. K.; Eriksson, S.-G.

2015-05-01

Ultrahigh frequencies (UHF) have applications in signal and power electronics to minimize product sizes, increase production quantity and lower manufacturing cost. In the UHF range of 300 MHz to 3 GHz, ferrimagnetic iron oxides (ferrites) are especially useful because they combine the properties of a magnetic material with that of an electrical insulator. Ferrites have much higher electrical resistivity than metallic ferromagnetic materials, resulting in minimization of the eddy current losses, and total penetration of the electromagnetic (EM) field. Hence ferrites are frequently applied as circuit elements, magnetic storage media like read/write heads, phase shifters and Faraday rotators. The electromagnetic properties of ferrites are affected by operating conditions such as field strength, temperature and frequency. The spinel system ZnxCo1-xFe2O4 (x=0.0, 0.25, 0.50 and 0.75) has been prepared by the standard solid state sintering method. X-ray and neutron powder diffraction measurements were performed at room temperature. Neutron diffraction data analysis confirms the cubic symmetry corresponding to the space group Fd3m. The distribution of three cations Zn2+, Co2+ and Fe3+ over the spinel lattice and other crystallographic parameters like lattice constant, oxygen position parameter, overall temperature factor and occupancies of different ions in different lattice sites for the samples have been determined from the analysis of neutron diffraction data. The lattice constant increases with increasing Zn content in the system. The magnetic structure was found to be ferrimagnetic for the samples with x≤0.50. Magnetization measurements show that with the increase of Zn content in the system the value of saturation magnetization first increases and then decreases. The variation of the magnetic moment with Zn substitution has been discussed in terms of the distribution of magnetic and non-magnetic ions over the A and B sub-lattices and their exchange coupling.

Effect of platinum substitution on the structural and magnetic properties of Ni2MnGa ferromagnetic shape memory alloy

NASA Astrophysics Data System (ADS)

Singh, Sanjay; D'Souza, S. W.; Nayak, J.; Caron, L.; Suard, E.; Chadov, S.; Felser, C.

2016-04-01

Ni2MnGa exhibits ideal ferromagnetic shape memory properties, however, brittleness and a low-temperature martensite transition hinder its technological applications motivating the search for novel materials showing better mechanical properties as well as higher transition temperatures. In this work, the crystal structure, phase transitions, and the magnetic properties of quaternary Ni2 -xPtxMnGa (0 ≤x ≤1 ) shape memory alloys were studied experimentally by x-ray diffraction, magnetization measurements, and neutron diffraction and compared to ab initio calculations. Compositions within 0 ≤x ≤0.25 exhibit the cubic austenite phase at room temperature. The x ≈0.3 composition exhibits a seven-layer modulated monoclinic martensite structure. Within 0.4 ≤x ≤1 , the system stabilizes in the nonmodulated tetragonal structure. The martensite transition has very narrow thermal hysteresis 0 ≤x ≤0.3 , which is a typical characteristic of a shape memory alloy. By increasing x , the temperature of the martensite transition increases, while that of the magnetic transition decreases. The x =1 composition (NiPtMnGa) in the martensite phase undergoes a para-to-ferrimagnetic transition. The saturation magnetization exhibits a nontrivial behavior with increasing up to x ≈0.25 , above which, it suddenly decreases. Powder neutron diffraction reveals the presence of antisite disorder, with about 17% of the original Ga sites being occupied by Mn. Computations suggest that the antisite disorder triggers an antiferromagnetic coupling between two Mn atoms in different crystallographic positions, resulting into a sudden drop of the saturation magnetization for higher x .

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kondo, Shinichiro

The format of this dissertation is as follows. In the remainder of Chapter 1, brief introductions and reviews are given to the topics of frustration, heavy fermions and spinels including the precedent work of LiV 2O 4. In Chapter 2, as a general overview of this work the important publication in Physical Review Letters by the author of this dissertation and collaborators regarding the discovery of the heavy fermion behavior in LiV 2O 4 is introduced [removed for separate processing]. The preparation methods employed by the author for nine LiV 2O 4 and two Li 1+xTi 2-xO 4 (x =more » 0 and 1/3) polycrystalline samples are introduced in Chapter 3. The subsequent structural characterization of the LiV 2O 4 and Li 1+xT 2-xO 4 samples was done by the author using thermogravimetric analysis (TGA), x-ray diffraction measurements and their structural refinements by the Rietveld analysis. The results of the characterization are detailed in Chapter 3. In Chapter 4 magnetization measurements carried out by the author are detailed. In Chapter 5, after briefly discussing the resistivity measurement results including the single-crystal work by Rogers et al., for the purpose of clear characterization of LiV 2O 4 it is of great importance to introduce in the following chapters the experiments and subsequent data analyses done by his collaborators. Heat capacity measurements (Chapter 6) were carried out and analyzed by Dr. C.A. Swenson, and modeled theoretically by Dr. D.C. Johnston. In Chapter 7 a thermal expansion study using neutron diffraction by Dr. O. Chmaissem et al. and capacitance dilatometry measurements by Dr. C.A. Swenson are introduced. The data analyses for the thermal expansion study were mainly done by Dr. O. Chmaissem (for neutron diffraction) and Dr. C.A. Swendon (for dilatometry), with assistances by Dr. J.D. Jorgensen, Dr. D.C. Johnston, and S. Kondo the author of this dissertation. Chapter 8 describes nuclear magnetic resonance (NMR) measurements and analyses by Dr. A.V. Mahajan, R. Sala, E. Lee and Dr. F. Borsa. In the final chapter, a summary and discussion are given.« less

Evidence for a dynamical ground state in the frustrated pyrohafnate Tb2Hf2O7

NASA Astrophysics Data System (ADS)

Anand, V. K.; Opherden, L.; Xu, J.; Adroja, D. T.; Hillier, A. D.; Biswas, P. K.; Herrmannsdörfer, T.; Uhlarz, M.; Hornung, J.; Wosnitza, J.; Canévet, E.; Lake, B.

2018-03-01

We report the physical properties of Tb2Hf2O7 based on ac magnetic susceptibility χac(T ) , dc magnetic susceptibility χ (T ) , isothermal magnetization M (H ) , and heat capacity Cp(T ) measurements combined with muon spin relaxation (μ SR ) and neutron powder diffraction measurements. No evidence for long-range magnetic order is found down to 0.1 K. However, χac(T ) data present a frequency-dependent broad peak (near 0.9 K at 16 Hz) indicating slow spin dynamics. The slow spin dynamics is further evidenced from the μ SR data (characterized by a stretched exponential behavior) which show persistent spin fluctuations down to 0.3 K. The neutron powder diffraction data collected at 0.1 K show a broad peak of magnetic origin (diffuse scattering) but no magnetic Bragg peaks. The analysis of the diffuse scattering data reveals a dominant antiferromagnetic interaction in agreement with the negative Weiss temperature. The absence of long-range magnetic order and the presence of slow spin dynamics and persistent spin fluctuations together reflect a dynamical ground state in Tb2Hf2O7 .

Competing magnetic ground states and their coupling to the crystal lattice in CuFe 2Ge 2

DOE PAGES

May, Andrew F.; Calder, Stuart; Parker, David S.; ...

2016-10-14

Identifying and characterizing systems with coupled and competing interactions is central to the development of physical models that can accurately describe and predict emergent behavior in condensed matter systems. This work demonstrates that the metallic compound CuFe 2Ge 2 has competing magnetic ground states, which are shown to be strongly coupled to the lattice and easily manipulated using temperature and applied magnetic fields. The temperature-dependent magnetization M measurements reveal a ferromagnetic-like onset at 228 (1) K and a broad maximum in M near 180 K. Powder neutron diffraction confirms antiferromagnetic ordering below T N ≈ 175 K, and an incommensuratemore » spin density wave is observed below ≈125 K. Coupled with the small refined moments (0.5–1 μB/Fe), this provides a picture of itinerant magnetism in CuFe 2Ge 2. Furthermore, the neutron diffraction data reveal a coexistence of two magnetic phases that further highlights the near-degeneracy of various magnetic states. Our results demonstrate that the ground state in CuFe 2Ge 2 can be easily manipulated by external forces, making it of particular interest for doping, pressure, and further theoretical studies.« less

Magnetic analysis of a melt-spun Fe-dilute Cu60Ag35Fe5 alloy

NASA Astrophysics Data System (ADS)

Kondo, Shin-ichiro; Kaneko, Kazuhiro; Morimura, Takao; Nakashima, Hiromichi; Kobayashi, Shin-Taro; Michioka, Chishiro; Yoshimura, Kazuyoshi

2015-04-01

The magnetic properties of a melt-spun Fe-dilute Cu60Ag35Fe5 alloy are examined by X-ray diffraction, magnetic measurements, and transmission electron microscopy (TEM). The X-ray diffraction patterns show that the as-spun and annealed (773 K×36 ks) samples contain Cu and Ag phases and no Fe phases; thus, most Fe atoms are dispersed as clusters. Magnetic measurements indicate that the as-spun and annealed samples exhibit superparamagnetic behavior at 300 K, whereas ferromagnetic and superparamagnetic behaviors coexist at 4.2 K. The magnetic moments of small clusters at 300 K are determined by the nonlinear least squares method as 5148 and 4671 μB for as-spun and annealed samples, respectively, whereas those at 300 K are experimentally determined as 3500 and 3200 μB. This decrease in magnetic moments may imply the formation of anti-ferromagnetic coupling by annealing. TEM observation of the melt-spun sample suggests that there are three regions with different compositions: Cu-rich, Ag-rich, and Fe-rich with no precipitation in the matrix. In addition, these regions have obscure interfaces. The magnetic clusters are attributed to the Fe-rich regions.

Nuclear-Spin Gyroscope Based on an Atomic Co-Magnetometer

NASA Technical Reports Server (NTRS)

Romalis, Michael; Komack, Tom; Ghost, Rajat

2008-01-01

An experimental nuclear-spin gyroscope is based on an alkali-metal/noblegas co-magnetometer, which automatically cancels the effects of magnetic fields. Whereas the performances of prior nuclear-spin gyroscopes are limited by sensitivity to magnetic fields, this gyroscope is insensitive to magnetic fields and to other external perturbations. In addition, relative to prior nuclear-spin gyroscopes, this one exhibits greater sensitivity to rotation. There is commercial interest in development of small, highly sensitive gyroscopes. The present experimental device could be a prototype for development of nuclear spin gyroscopes suitable for navigation. In comparison with fiber-optic gyroscopes, these gyroscopes would draw less power and would be smaller, lighter, more sensitive, and less costly.

Synthesis and magnetic properties of the high-pressure scheelite-type GdCrO{sub 4} polymorph

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dos santos-Garcia, A.J., E-mail: adossant@quim.ucm.es; Climent-Pascual, E.; Gallardo-Amores, J.M.

The scheelite-type polymorph of GdCrO{sub 4} has been obtained from the corresponding zircon-type compound under high pressure and temperature conditions, namely 4 GPa and 803 K. The crystal structure has been determined by X-ray powder diffraction. This GdCrO{sub 4} scheelite crystallizes in a tetragonal symmetry with space group I4{sub 1}/a (No. 88, Z=4), a=5.0501(1) A, c=11.4533(2) A and V=292.099(7) A{sup 3}. The thermal decomposition leads to the formation of the zircon-polymorph as intermediate phase at 773 K to end in the corresponding GdCrO{sub 3} distorted perovskite-structure at higher temperatures. Magnetic susceptibility and magnetization measurements suggest the existence of long-range antiferromagneticmore » interactions which have been also confirmed from specific heat measurements. Neutron powder diffraction data reveal the simultaneous antiferromagnetic Gd{sup 3+} and Cr{sup 5+} ordering in the scheelite-type GdCrO{sub 4} with a T{sub N}{approx}20 K. The magnetic propagation vector was found to be k=(0 0 0). Combined with group theory analysis, the best neutron powder diffraction fit was obtained with a collinear antiferromagnetic coupling in which the m{sub Cr{sup 5}{sup +}} and m{sub Gd{sup 3}{sup +}} magnetic moments are confined in the tetragonal basal plane according to the mixed representation {Gamma}{sub 6} Circled-Plus {Gamma}{sub 8}. Thermal decomposition of the GdCrO{sub 4} high pressure polymorph, from the scheelite-type through the zircon-type structure as intermediate to end in the GdCrO{sub 3} perovskite. Highlights: Black-Right-Pointing-Pointer New high pressure GdCrO{sub 4} polymorph crystallizing in the scheelite type structure. Black-Right-Pointing-Pointer It is an antiferromagnet with a metamagnetic transition at low magnetic fields. Black-Right-Pointing-Pointer We have determined its magnetic structure from powder neutron diffraction data. Black-Right-Pointing-Pointer Otherwise, the room pressure zircon-polymorph is a ferromagnet. Black-Right-Pointing-Pointer The paper will be a great contribution in the study of 3d-4f magnetic interactions.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sicupira, Felipe Lucas; Sandim, Maria José R.; Sandim, Hugo R.Z.

The good performance of supermartensitic stainless steels is strongly dependent on the volume fraction of retained austenite at room temperature. The present work investigates the effect of secondary tempering temperatures on this phase transformation and quantifies the amount of retained austenite by X-ray diffraction and saturation magnetization. The steel samples were tempered for 1 h within a temperature range of 600–800 °C. The microstructure was characterized using scanning electron microscopy and electron backscatter diffraction. Results show that the amount of retained austenite decreased with increasing secondary tempering temperature in both quantification methods. - Highlights: • The phase transformation during secondarymore » tempering temperatures was observed. • Phases were quantified by X-ray diffraction and DC-saturation magnetization. • More retained austenite forms with increasing secondary tempering temperature. • The retained austenite is mainly located at the grain and lath boundaries.« less

Some concepts of the advanced mass spectrometry at the COMBAS magnetic separator of nuclear reaction products

NASA Astrophysics Data System (ADS)

Artukh, A. G.; Tarantin, N. I.

Proposed is an in-flight measurement method of recoil nuclei masses with the help of a Penning trap located behind the COMBAS magnetic separator for nuclear reaction products. The method is based on the following operations: (i) Accepting the recoil nuclear reaction products by the magnetic separator and decreasing their kinetic energy by degraders. (ii) In-flight transportation of the retarded nuclei into the magnetic field of the Penning trap's solenoid and transforming their remaining longitudinal momentum into orbital rotation by the fringing magnetic field of the solenoid. (iii) Cooling the orbital rotation of the ions by the high-frequency azimuthal electric field of the Penning trap's electric hyperboloid.

Arrays of dipolar molecular rotors in Tris(o-phenylenedioxy) cyclotriphosphazene.

PubMed

Zhao, Ke; Dron, Paul I; Kaleta, Jiří; Rogers, Charles T; Michl, Josef

2014-01-01

Regular two-dimensional or three-dimensional arrays of mutually interacting dipolar molecular rotors represent a worthy synthetic objective. Their dielectric properties, including possible collective behavior, will be a sensitive function of the location of the rotors, the orientation of their axes, and the size of their dipoles. Host-guest chemistry is one possible approach to gaining fine control over these factors. We describe the progress that has been achieved in recent years using tris (o-phenylenedioxy)cyclotriphosphazene as a host and a series of rod-shaped dipolar molecular rotors as guests. Structures of both surface and bulk inclusion compounds have been established primarily by solid-state nuclear magnetic resonance (NMR) and powder X-ray diffraction (XRD) techniques. Low-temperature dielectric spectroscopy revealed rotational barriers as low as 1.5 kcal/mol, but no definitive evidence for collective behavior has been obtained so far.

Basic Principles of Spectroscopy

NASA Astrophysics Data System (ADS)

Penner, Michael H.

Spectroscopy deals with the production, measurement, and interpretation of spectra arising from the interaction of electromagnetic radiation with matter. There are many different spectroscopic methods available for solving a wide range of analytical problems. The methods differ with respect to the species to be analyzed (such as molecular or atomic spectroscopy), the type of radiation-matter interaction to be monitored (such as absorption, emission, or diffraction), and the region of the electromagnetic spectrum used in the analysis. Spectroscopic methods are very informative and widely used for both quantitative and qualitative analyses. Spectroscopic methods based on the absorption or emission of radiation in the ultraviolet (UV), visible (Vis), infrared (IR), and radio (nuclear magnetic resonance, NMR) frequency ranges are most commonly encountered in traditional food analysis laboratories. Each of these methods is distinct in that it monitors different types of molecular or atomic transitions. The basis of these transitions is explained in the following sections.

A New Approach for Sustainable Energy Systems due to the Excitation of Inner-core Electrons on Zinc Atoms Induced by Surface-ion-recombination

NASA Astrophysics Data System (ADS)

Hamasaki, Mitsugi; Obara, Masumi; Yamaguchi, Mitsuomi; Kuwayama, Masahiro; Obara, Kozo

2011-12-01

The crisis of Nuclear power plants due to the March 11, 2011 Tsunami in Japan suggests an increased need for sustainable science and technology in our society. The authors propose a new physical approach with surface-ion-recombination (SIR) due to the inner-core excitation of zinc atom [Ne]3s23p63d104s2 that brings no magnetic moment. Condensed material indicated the energy dependence of X-ray diffraction intensity, in which exists strong diffuse scattering intensities at 10 eV, 90 eV, 100 eV and 230 eV. These energies are strictly corresponding to zinc of electron systems (3s,3p,3d and these combination). Our approach may have the potential of techniques for future nanotechnology, especially for hydrogen storage systems.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mendoza, Oscar, E-mail: oamendoz@unal.edu.co; Giraldo, Carolina; Camargo, Sergio S.

This research evaluates the effect of sodium and potassium hydroxide on the structure and nano-mechanical properties of Calcium Silicate Hydrate (C-S-H) formed from the hydration of pure alite. Monoclinic (MIII) alite was synthesized and hydrated, using water-to-alite ratios of 0.5 and 0.6 and additions of 10% NaOH and KOH by weight of alite. Based on results of X-ray diffraction, isothermal calorimetry, thermogravimetric analysis, Nuclear Magnetic Resonance and nanoindentation, two different effects of the alkaline hydroxides on the hydration reaction of alite, both at early and later ages, can be identified: (i) a differentiated hydration process, attributed to an enhancement inmore » calcium hydroxide (CH) precipitation and a stimulation of the C-S-H nuclei; and (ii) an increase in the elastic modulus of the C-S-H aggregations, attributed to an electrostatic attraction between positive charges from the alkaline cations and negative charges from the C-S-H structure.« less

Synthesis and characterization of a novel mucoadhesive derivative of xyloglucan.

PubMed

Madgulkar, Ashwini R; Bhalekar, Mangesh R; Asgaonkar, Kalyani D; Dikpati, Amrita A

2016-01-01

A novel polymer in the form of a thiolated derivative of natural tamarind seed polysaccharide or xyloglucan was synthesized and its chacteristics as a mucoadhesive polymer were studied as a part of the study undertaken herein. The synthetic route followed involves a two-step reaction mechanism of firstly oxidizing xyloglucan and then further conjugating it with l-cysteine to form thiolated xyloglucan or thiomer via imine linkage. The thiomer thus formed was characterized using various analytical techniques as differential scanning calorimetry (DSC), X-ray diffraction analysis (XRD), and nuclear magnetic resonance (NMR). Ellman's method was used to determine the numbers of thiol groups/g of thiolated xyloglucan. Zeta potential measurements were carried out for thiolated xyloglucan. Viscosities of the formulated xyloglucan and thiolated xyloglucan gels were comparatively evaluated along with the evaluation of mucoadhesive properties of the gels using ex vivo bioadhesion study employing freshly excised sheep intestinal mucosa. Copyright © 2015 Elsevier Ltd. All rights reserved.

Tuning hardness in calcite by incorporation of amino acids.

PubMed

Kim, Yi-Yeoun; Carloni, Joseph D; Demarchi, Beatrice; Sparks, David; Reid, David G; Kunitake, Miki E; Tang, Chiu C; Duer, Melinda J; Freeman, Colin L; Pokroy, Boaz; Penkman, Kirsty; Harding, John H; Estroff, Lara A; Baker, Shefford P; Meldrum, Fiona C

2016-08-01

Structural biominerals are inorganic/organic composites that exhibit remarkable mechanical properties. However, the structure-property relationships of even the simplest building unit-mineral single crystals containing embedded macromolecules-remain poorly understood. Here, by means of a model biomineral made from calcite single crystals containing glycine (0-7 mol%) or aspartic acid (0-4 mol%), we elucidate the origin of the superior hardness of biogenic calcite. We analysed lattice distortions in these model crystals by using X-ray diffraction and molecular dynamics simulations, and by means of solid-state nuclear magnetic resonance show that the amino acids are incorporated as individual molecules. We also demonstrate that nanoindentation hardness increased with amino acid content, reaching values equivalent to their biogenic counterparts. A dislocation pinning model reveals that the enhanced hardness is determined by the force required to cut covalent bonds in the molecules.

Improved Extraction and Quality Characterization of Water-Soluble Polysaccharide from Gamma-Irradiated Lentinus edodes.

PubMed

Akram, Kashif; Shahbaz, Hafiz Muhammad; Kim, Gui-Ran; Farooq, Umar; Kwon, Joong-Ho

2017-02-01

Gamma irradiation was applied to the improved extraction of water-soluble polysaccharides (WSPs) from dried Lentinus edodes. Irradiation provided a dose-dependent increase in extraction yield (0 kGy, 2.01%; 7.5 kGy, 4.03%; 15 kGy, 7.17%) and purity (0 kGy, 78.8%; 7.5 kGy, 83.1%; 15 kGy, 85.6%) of the WSPs from hot-water extraction. The effect of irradiation was evident in the degraded microstructures and reduced molecular weights of the WSPs. However, nuclear magnetic resonance, Fourier-transform infrared, and X-ray diffraction spectroscopic analyses provided comparable structures of WSPs from nonirradiated and irradiated samples. UV-visible spectra showed a dose-dependent decline in intensity, but an improvement in thermal properties of the WSPs from the irradiated mushroom samples was observed. © 2017 Institute of Food Technologists®.

Formation of organoclays by a one step synthesis

NASA Astrophysics Data System (ADS)

Jaber, Maguy; Miéhé-Brendlé, Jocelyne; Delmotte, Luc; Le Dred, Ronan

2005-05-01

Different lamellar hybrid inorganic-organic materials having as inorganic parent 2:1 (T.O.T.) phyllosilicates such as talc, saponite, pyrophyllite, beidellite and montmorillonite were prepared by a one step synthesis. The solids were characterized by X-ray diffraction, solid state 29Si, 27Al, and 19F nuclear magnetic resonance and transmission electron microscopy. XRD patterns show that solids with inorganic parents having octahedral sheet based on aluminium exhibit a lamellar structure similar to MCM-50, whereas those with magnesium have an organophyllosilicate structure. In the first case, the absence of hexacoordinated aluminium was confirmed by 27Al NMR and an ordered stacking of the layers is observed on TEM micrographs. In opposite, a disorder is observed on the TEM images of organophyllosilicates. The formation of the 2:1 structure was found to be controlled mainly by the insertion of silicic species in the interlamellar space of brucite like layers.

Pressure-induced polymerization of acetylene: Structure-directed stereoselectivity and a possible route to graphane

DOE PAGES

Sun, Jiangman; Dong, Xiao; Wang, Yajie; ...

2017-05-02

Geometric isomerism in polyacetylene is a basic concept in chemistry textbooks. Polymerization to cis-isomer is kinetically preferred at low temperature, not only in the classic catalytic reaction in solution but also, unexpectedly, in the crystalline phase when it is driven by external pressure without a catalyst. Until now, no perfect reaction route has been proposed for this pressure-induced polymerization. Using in situ neutron diffraction and meta-dynamic simulation, we discovered that under high pressure, acetylene molecules react along a specific crystallographic direction that is perpendicular to those previously proposed. Moreover, following this route produces a pure cis-isomer and more surprisingly, predictsmore » that graphane is the final product. Experimentally, polycyclic polymers with a layered structure were identified in the recovered product by solid-state nuclear magnetic resonance and neutron pair distribution functions, which indicates the possibility of synthesizing graphane under high pressure.« less

Fast and inexpensive synthesis of pentacene with high yield using 6,13-pentacenequinone as precursor

NASA Astrophysics Data System (ADS)

Mota, María L.; Rodriguez, Bibiana; Carrillo, Amanda; Ambrosio, Roberto C.; Luque, Priscy A.; Mireles, Marcela; Vivaldo, Israel; Quevedo, Manuel A.

2018-02-01

Pentacene is an important semiconductor in the field of organic electronics. In this work is presented an alternative synthesis procedure to obtain pentacene from 6,13-pentacenequinone as a precursor. Synthesis of pentacene was performed in two reactions, Diels-Adler cycloaddition of 6,13-pentacenequinone followed by 6,13-pentacenequinone reduction to pentacene, employing LiAlH4 as reducing agent. The products were characterized by Fourier Transform Infrared Spectroscopy (FTIR), 1H-Nuclear Magnetic Resonance Spectroscopy (1H-NMR), X-Ray Diffraction (XRD), Thermogravimetric Analysis (TGA) and Ultraviolet-Visible Spectroscopy (UV-VIS). In this work, 6,13-pentacenequinone was synthetized with a high yield (55%) using an alternative method. The optimization process resulted in an overall reduction of reaction time while exhibiting high yield. The method presented here provides an affordable pentacene synthesis route with high purity, which can be further applied for research and development of organic electronic applications.

Structural, vibrational and nuclear magnetic resonance investigations of 4-bromoisoquinoline by experimental and theoretical DFT methods.

PubMed

Arjunan, V; Thillai Govindaraja, S; Jayapraksh, A; Mohan, S

2013-04-15

Quantum chemical calculations of energy, structural parameters and vibrational wavenumbers of 4-bromoisoquinoline (4BIQ) were carried out by using B3LYP method using 6-311++G(**), cc-pVTZ and LANL2DZ basis sets. The optimised geometrical parameters obtained by DFT calculations are in good agreement with electron diffraction data. Interpretations of the experimental FTIR and FT-Raman spectra have been reported with the aid of the theoretical wavenumbers. The differences between the observed and scaled wavenumber values of most of the fundamentals are very small. The thermodynamic parameters have also been computed. Electronic properties of the molecule were discussed through the molecular electrostatic potential surface, HOMO-LUMO energy gap and NBO analysis. To provide precise assignments of (1)H and (13)CNMR spectra, isotropic shielding and chemical shifts were calculated with the Gauge-Invariant Atomic Orbital (GIAO) method. Copyright © 2013 Elsevier B.V. All rights reserved.

Polymorphism, microstructure and rheology of butter. Effects of cream heat treatment.

PubMed

Rønholt, Stine; Kirkensgaard, Jacob Judas Kain; Pedersen, Thomas Bæk; Mortensen, Kell; Knudsen, Jes Christian

2012-12-01

The effect of cream heat treatment prior to butter manufacturing, fluctuating temperatures during storage and presence of fat globules vs. no fat globules was examined in laboratory scale produced butter. X-ray diffraction and differential scanning calorimetry was used to study crystallization behaviour and nuclear magnetic resonance to measure solid fat content and water droplet size distribution. Furthermore, the crystal structure was linked to the rheological properties and microstructure of the butter using confocal laser scanning microscopy. Butter produced from non-matured cream mainly formed α- and β'-crystals with minor traces of β-crystals. Maturing of the cream caused a transition from α- to β'- and β-form. The rheological behaviour of slow cooled butter deviated from the matured ones by having a lower elastic modulus, caused by a weaker crystal network. Presence of fat globules did not affect the rheological properties significantly. Copyright © 2012 Elsevier Ltd. All rights reserved.

Evidence for SrHo2O4 and SrDy2O4 as model J1-J2 zigzag chain materials

NASA Astrophysics Data System (ADS)

Fennell, A.; Pomjakushin, V. Y.; Uldry, A.; Delley, B.; Prévost, B.; Désilets-Benoit, A.; Bianchi, A. D.; Bewley, R. I.; Hansen, B. R.; Klimczuk, T.; Cava, R. J.; Kenzelmann, M.

2014-06-01

Neutron diffraction and inelastic spectroscopy is used to characterize the magnetic Hamiltonian of SrHo2O4 and SrDy2O4. Through a detailed computation of the crystal-field levels we find site-dependent anisotropic single-ion magnetism in both materials, and diffraction measurements show the presence of strong one-dimensional spin correlations. Our measurements indicate that competing interactions of the zigzag chain, combined with frustrated interchain interactions, play a crucial role in stabilizing spin-liquid type correlations in this series.

Low Temperature and Neutron Physics Studies: Final Progress Report, March 1, 1986--May 31, 1987

DOE R&D Accomplishments Database

Shull, C.G.

1989-07-27

A search for a novel coupling interaction between the Pendelloesung periodicity which is formed in a diffracting crystal and the Larmor precession of neutrons in a magnetic field has been carried out. This interaction is expected to exhibit a resonant behavior when the two spatial periodicities become matched upon scanning the magnetic field being applied to the crystal. Observations on a diffracting, perfect crystal of silicon with neutrons of wavelength 1 Angstrom show the expected resonant action but some discrepancy between the observed magnitude of the resonance effects remains for interpretation.

Daniel Shechtman and Quasicrystals

Science.gov Websites

toolbox that included transmission electron microscopy, X-ray diffraction and neutron diffraction. The searchQuery x Find DOE R&D Acccomplishments Navigation dropdown arrow The Basics dropdown arrow Home About Letters, Vol. 53, Issue 20: 1951-1953; November 12, 1984 Nuclear γ-ray resonance observations in an

Structural and magnetic properties of ultra-thin Fe films on metal-organic chemical vapour deposited GaN(0001)

NASA Astrophysics Data System (ADS)

Kim, Jun-Young; Ionescu, Adrian; Mansell, Rhodri; Farrer, Ian; Oehler, Fabrice; Kinane, Christy J.; Cooper, Joshaniel F. K.; Steinke, Nina-Juliane; Langridge, Sean; Stankiewicz, Romuald; Humphreys, Colin J.; Cowburn, Russell P.; Holmes, Stuart N.; Barnes, Crispin H. W.

2017-01-01

Structural and magnetic properties of 1-10 nm thick Fe films deposited on GaN(0001) were investigated. In-situ reflecting high energy electron diffraction images indicated a α-Fe(110)/GaN(0001) growth of the 3D Volmer-Weber type. The α-Fe(110) X-ray diffraction peak showed a 1° full-width at half-maximum, indicating ≈20 nm grain sizes. A significant reduction in Fe atomic moment from its bulk value was observed for films thinner than 4 nm. Both GaN/Fe interface roughness and Fe film coercivity increased with Fe thickness, indicating a possible deterioration of Fe crystalline quality. Magnetic anisotropy was mainly uniaxial for all films while hexagonal anisotropies appeared for thicknesses higher than 3.7 nm.

Synthesis and characterization of montmorillonite clay intercalated with molecular magnetic compounds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Martins, Marcel G.; Martins, Daniel O.T.A.; Carvalho, Beatriz L.C. de

2015-08-15

In this work montmorillonite (MMT) clay, whose matrix was modified with an ammonium salt (hexadecyltrimethylammonium bromide – CTAB), was employed as an inorganic host for the intercalation of three different molecular magnetic compounds through ion exchange: a nitronyl nitroxide derivative 2-[4-(N-ethyl)-pyridinium]-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide (p-EtRad{sup +}) and two binuclear coordination compounds, [Ni(valpn)Ln]{sup 3+}, where H{sub 2}valpn stands for 1,3-propanediyl-bis(2-iminomethylene-6-methoxy-phenol), and Ln=Gd{sup III}; Dy{sup III}. The pristine MMT and the intercalated materials were characterized by X-ray powder diffraction (XRD), infrared spectroscopy (IR), scanning electron microscopy (SEM), thermogravimetric analysis (TGA) and magnetic measurements. The X-ray diffraction data analysis showed an increase of the interlamellar spacemore » of the intercalated MMT, indicating the intercalation of the magnetic compounds. Furthermore, the magnetic properties of the hybrid compounds were investigated, showing similar behavior as the pure magnetic guest species. - Graphical abstract: Montmorillonite clay was employed as inorganic host for the intercalation of three different molecular magnetic compounds through ion exchange - Highlights: • Montmorillonite was employed as a host material. • Three molecular magnetic compounds were intercalated through ion exchange. • The compounds were successful intercalated maintaining the layered structure. • The hybrid materials exhibited similar magnetic behavior as the pure magnetic guest.« less

An improved nuclear magnetic resonance spectrometer

NASA Technical Reports Server (NTRS)

Elleman, D. D.; Manatt, S. L.

1967-01-01

Cylindrical sample container provides a high degree of nuclear stabilization to a nuclear magnetic resonance /nmr/ spectrometer. It is placed coaxially about the nmr insert and contains reference sample that gives a signal suitable for locking the field and frequency of an nmr spectrometer with a simple audio modulation system.

Edward Purcell and Nuclear Magnetic Resonance (NMR)

Science.gov Websites

"development of new methods for nuclear magnetic precision measurements and discoveries in educated and inspired a generation of physicists, who refer to it often, and depend on it utterly.1 Purcell : A Precise Determination of the Proton Magnetic Moment in Bohr Magnetons; Physical Review, Vol. 76

Magnetic structure of the mixed antiferromagnet NdMn0.8Fe0.2O3

NASA Astrophysics Data System (ADS)

Mihalik, Matúš; Mihalik, Marián; Hoser, Andreas; Pajerowski, Daniel M.; Kriegner, Dominik; Legut, Dominik; Lebecki, Kristof M.; Vavra, Martin; Fitta, Magdalena; Meisel, Mark W.

2017-10-01

The magnetic structure of the mixed antiferromagnet NdMn0.8Fe0.2O3 was resolved. Neutron powder diffraction data definitively resolve the Mn sublattice with a magnetic propagation vector k =(000 ) and with the magnetic structure (Ax,Fy,Gz ) for 1.6 K

Polarized single crystal neutron diffraction study of the zero-magnetization ferromagnet Sm1 -xGdxAl2 (x =0.024 )

NASA Astrophysics Data System (ADS)

Chatterji, T.; Stunault, A.; Brown, P. J.

2018-02-01

We have determined the temperature evolution of the spin and orbital moments in the zero-magnetization ferromagnet Sm1 -xGdxAl2 (x = 0.024) by combining polarized and unpolarized single crystal neutron diffraction data. The sensitivity of the polarized neutron technique has allowed the moment values to be determined with a precision of ≈0.1 μB . Our results clearly demonstrate that, when magnetized by a field of 8 T, the spin and orbital moments in Sm1 -xGdxAl2 are oppositely directed, so that the net magnetization is very small. Below 60 K the contributions from spin and orbital motions are both about 2 μB , with that due to orbital motion being slightly larger than that due to spin. Between 60 and 65 K the contributions of each to the magnetization fall rapidly and change sign at Tcomp ≈67 K , above which the aligned moments recover but with the orbital magnetization still slightly higher than the spin one. These results imply that above Tcomp the small resultant magnetization of the Sm3 + ion is oppositely directed to the magnetizing field. It is suggested that this anomaly is due to polarization of conduction electron spin associated with the doping Gd3 + ions.

Magnetic order and interactions in ferrimagnetic Mn 3 Si 2 Te 6

DOE Office of Scientific and Technical Information (OSTI.GOV)

May, Andrew F.; Liu, Yaohua; Calder, Stuart

2017-05-01

The magnetism in Mn 3Si 2Te 6 has been investigated using thermodynamic measurements, first principles calculations, neutron diffraction and diffuse neutron scattering on single crystals. These data con rm that Mn3Si2Te6 is a ferrimagnet below T C 78 K. The magnetism is anisotropic, with magnetization and neutron diffraction demonstrating that the moments lie within the basal plane of the trigonal structure. The saturation magnetization of 1.6 B/Mn at 5K originates from the different multiplicities of the two antiferromagnetically-aligned Mn sites. First principles calculations reveal antiferromagnetic exchange for the three nearest Mn-Mn pairs, which leads to a competition between the ferrimagneticmore » ground state and three other magnetic configurations. The ferrimagnetic state results from the energy associated with the third-nearest neighbor interaction, and thus long- range interactions are essential for the observed behavior. Di use magnetic scattering is observed around the 002 Bragg reflection at 120 K, which indicates the presence of strong spin correlations well above T C . These are promoted by the competing ground states that result in a relative suppression of T C , and may be associated with a small ferromagnetic component that produces anisotropic magnetism below ≈ 330 K.« less

Nuclear magnetic resonance detection and spectroscopy of single proteins using quantum logic

NASA Astrophysics Data System (ADS)

Lovchinsky, I.; Sushkov, A. O.; Urbach, E.; de Leon, N. P.; Choi, S.; De Greve, K.; Evans, R.; Gertner, R.; Bersin, E.; Müller, C.; McGuinness, L.; Jelezko, F.; Walsworth, R. L.; Park, H.; Lukin, M. D.

2016-02-01

Nuclear magnetic resonance spectroscopy is a powerful tool for the structural analysis of organic compounds and biomolecules but typically requires macroscopic sample quantities. We use a sensor, which consists of two quantum bits corresponding to an electronic spin and an ancillary nuclear spin, to demonstrate room temperature magnetic resonance detection and spectroscopy of multiple nuclear species within individual ubiquitin proteins attached to the diamond surface. Using quantum logic to improve readout fidelity and a surface-treatment technique to extend the spin coherence time of shallow nitrogen-vacancy centers, we demonstrate magnetic field sensitivity sufficient to detect individual proton spins within 1 second of integration. This gain in sensitivity enables high-confidence detection of individual proteins and allows us to observe spectral features that reveal information about their chemical composition.

Influence of Ba/Fe mole ratios on magnetic properties, crystallite size and shifting of X-ray diffraction peaks of nanocrystalline BaFe12O19 powder, prepared by sol gel auto combu

NASA Astrophysics Data System (ADS)

Suastiyanti, Dwita; Sudarmaji, Arif; Soegijono, Bambang

2012-06-01

Barium hexaferrite BaFe12O19 (BFO) is of great importance as permanent magnets, particularly for magnetic recording as well as in microwave devices. Nano-crystalline BFO powders were prepared by sol gel auto combustion method in citric acid - metal nitrates system. Hence the mole ratios of Ba/Fe were variated at 1:12; 1:11.5 and 1:11. Ratio of cation to fuel was fixed at 1:1. An appropriate amount of amonia solution was added dropwise to this solution with constant stirring until the PH reached 7 in all cases. Heating at 850oC for 10 hours for each sample to get final formation of BFO nanocrystalline. The data from XRD showing the lattice parameters a,c and the unit-cell volume V, confirm that BFO with ratio 1:12 has same crystall parameters with ratio 1:11. Ratio of Ba/Fe 1:12 and 1:11 have diffraction pattern similarly at almost each 2 θ for each samples. Ratio of Ba/Fe 1: 11.5 has the finest crystallite size 22 nm. Almost diffraction pattern peaks of Ba/Fe 1:11.5 move to the left from of Ba/Fe 1:12 then return to diffraction pattern of Ba/Fe 1:12 for Ba/Fe 1:11. SEM observations show the particle size less than 100 nm and the same shape for each sample. Ratio of Ba/Fe 1: 12 gives the highest intrinsic coercive Hc = 427.3 kA/m. The highest remanent magnetization is at ratio 1:11 with Mr = 0.170 T. BFO with mole ratio 1:11.5 has the finest grain 22 nm, good magnetic properties and the highest value of best FoM 89%.

Rotatable Small Permanent Magnet Array for Ultra-Low Field Nuclear Magnetic Resonance Instrumentation: A Concept Study.

PubMed

Vogel, Michael W; Giorni, Andrea; Vegh, Viktor; Pellicer-Guridi, Ruben; Reutens, David C

2016-01-01

We studied the feasibility of generating the variable magnetic fields required for ultra-low field nuclear magnetic resonance relaxometry with dynamically adjustable permanent magnets. Our motivation was to substitute traditional electromagnets by distributed permanent magnets, increasing system portability. The finite element method (COMSOL®) was employed for the numerical study of a small permanent magnet array to calculate achievable magnetic field strength, homogeneity, switching time and magnetic forces. A manually operated prototype was simulated and constructed to validate the numerical approach and to verify the generated magnetic field. A concentric small permanent magnet array can be used to generate strong sample pre-polarisation and variable measurement fields for ultra-low field relaxometry via simple prescribed magnet rotations. Using the array, it is possible to achieve a pre-polarisation field strength above 100 mT and variable measurement fields ranging from 20-50 μT with 200 ppm absolute field homogeneity within a field-of-view of 5 x 5 x 5 cubic centimetres. A dynamic small permanent magnet array can generate multiple highly homogeneous magnetic fields required in ultra-low field nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI) instruments. This design can significantly reduce the volume and energy requirements of traditional systems based on electromagnets, improving portability considerably.

Capacitor-based detection of nuclear magnetization: nuclear quadrupole resonance of surfaces.

PubMed

Gregorovič, Alan; Apih, Tomaž; Kvasić, Ivan; Lužnik, Janko; Pirnat, Janez; Trontelj, Zvonko; Strle, Drago; Muševič, Igor

2011-03-01

We demonstrate excitation and detection of nuclear magnetization in a nuclear quadrupole resonance (NQR) experiment with a parallel plate capacitor, where the sample is located between the two capacitor plates and not in a coil as usually. While the sensitivity of this capacitor-based detection is found lower compared to an optimal coil-based detection of the same amount of sample, it becomes comparable in the case of very thin samples and even advantageous in the proximity of conducting bodies. This capacitor-based setup may find its application in acquisition of NQR signals from the surface layers on conducting bodies or in a portable tightly integrated nuclear magnetic resonance sensor. Copyright © 2010 Elsevier Inc. All rights reserved.

Progress in Spin Dynamics Solid-State Nuclear Magnetic Resonance with the Application of Floquet-Magnus Expansion to Chemical Shift Anisotropy

PubMed Central

Mananga, Eugene Stephane

2013-01-01

The purpose of this article is to present an historical overview of theoretical approaches used for describing spin dynamics under static or rotating experiments in solid state nuclear magnetic resonance. The article gives a brief historical overview for major theories in nuclear magnetic resonance and the promising theories. We present the first application of Floquet-Magnus expansion to chemical shift anisotropy when irradiated by BABA pulse sequence. PMID:23711337

Nuclear Quadrupole Resonance (NQR) Method and Probe for Generating RF Magnetic Fields in Different Directions to Distinguish NQR from Acoustic Ringing Induced in a Sample

DTIC Science & Technology

1997-08-01

77,719 TITLE OF THE INVENTION NUCLEAR QUADRUPOLE RESONANCE ( NQR ) METHOD AND PROBE FOR GENERATING RF MAGNETIC FIELDS IN DIFFERENT DIRECTIONS TO...DISTINGUISH NQR FROM ACOUSTIC RINGING INDUCED IN A SAMPLE BACKGROUND OF THE INVENTION 1. Field of the Invention The present invention relates to a...nuclear quadrupole 15 resonance ( NQR ) method and probe for generating RF magnetic fields in different directions towards a sample. More specifically

Quantitative phase analysis of challenging samples using neutron powder diffraction. Sample #4 from the CPD QPA round robin revisited

DOE PAGES

Whitfield, Pamela S.

2016-04-29

Here, quantitative phase analysis (QPA) using neutron powder diffraction more often than not involves non-ambient studies where no sample preparation is possible. The larger samples and penetration of neutrons versus X-rays makes neutron diffraction less susceptible to inhomogeneity and large grain sizes, but most well-characterized QPA standard samples do not have these characteristics. Sample #4 from the International Union of Crystallography Commission on Powder Diffraction QPA round robin was one such sample. Data were collected using the POWGEN time-of-flight (TOF) neutron powder diffractometer and analysed together with historical data from the C2 diffractometer at Chalk River. The presence of magneticmore » reflections from Fe 3O 4 (magnetite) in the sample was an additional consideration, and given the frequency at which iron-containing and other magnetic compounds are present during in-operando studies their possible impact on the accuracy of QPA is of interest. Additionally, scattering from thermal diffuse scattering in the high-Qregion (<0.6 Å) accessible with TOF data could impact QPA results during least-squares because of the extreme peak overlaps present in this region. Refinement of POWGEN data was largely insensitive to the modification of longer d-spacing reflections by magnetic contributions, but the constant-wavelength data were adversely impacted if the magnetic structure was not included. A robust refinement weighting was found to be effective in reducing quantification errors using the constant-wavelength neutron data both where intensities from magnetic reflections were ignored and included. Results from the TOF data were very sensitive to inadequate modelling of the high- Q (low d-spacing) background using simple polynomials.« less

MEMS-Based Force-Detected Nuclear Magnetic Resonance (FDNMR) Spectrometer

NASA Technical Reports Server (NTRS)

Lee, Choonsup; Butler, Mark C.; Elgammal, Ramez A.; George, Thomas; Hunt, Brian; Weitekamp, Daniel P.

2006-01-01

Nuclear Magnetic Resonance (NMR) spectroscopy allows assignment of molecular structure by acquiring the energy spectrum of nuclear spins in a molecule, and by interpreting the symmetry and positions of resonance lines in the spectrum. As such, NMR has become one of the most versatile and ubiquitous spectroscopic methods. Despite these tremendous successes, NMR experiments suffer from inherent low sensitivity due to the relatively low energy of photons in the radio frequency (rt) region of the electromagnetic spectrum. Here, we describe a high-resolution spectroscopy in samples with diameters in the micron range and below. We have reported design and fabrication of force-detected nuclear magnetic resonance (FDNMR).

Investigation of Condensed Media in Weak Fields by the Method of Nuclear Magnetic Resonance

NASA Astrophysics Data System (ADS)

Davydov, V. V.; Myazin, N. S.; Dudkin, V. I.; Velichko, E. N.

2018-05-01

A compact design of a rapid-response nuclear magnetic spectrometer for investigation of condensed media in weak fields is reported. As a result of investigation of different condensed media, special features of recording a nuclear magnetic resonance (NMR) signal in a weak magnetic field from a small volume of the medium under study are established. For the first time the NMR absorption spectra of condensed media in a weak field are collected. Based on the results of experimental studies, the potential of using a compact NMR-spectrometer for condensed media monitoring in a rapid response mode is determined.

A Novel X-ray Diffractometer for the Florida Split Coil 25 Tesla Magnet

NASA Astrophysics Data System (ADS)

Wang, Shengyu; Kovalev, Alexey; Suslov, Alexey; Siegrist, Theo

2014-03-01

At National High Magnetic Field Laboratory (NHMFL), we are developing a unique X-ray diffractometer for the 25 Tesla Florida Split Coil Magnet for scattering experiments under extremely high static magnetic fields. The X-ray source is a sealed tube (copper or molybdenum anode), connected to the magnet by an evacuated beam tunnel. The detectors are either an image plate or a silicon drift detector, with the data acquisition system based on LabVIEW. Our preliminary experimental results showed that the performance of the detector electronics and the X-ray generator is reliable in the fringe magnetic fields produced at the highest field of 25 T. Using this diffractometer, we will make measurements on standard samples, such as LaB6, Al2O3 and Si, to calibrate the diffraction system. Magnetic samples, such as single crystal HoMnO3 and stainless steel 301 alloys will be measured subsequently. The addition of X-ray diffraction to the unique split coil magnet will significantly expand the NHMFL experimental capabilities. Therefore, external users will be able to probe spin - lattice interactions at static magnetic fields up to 25T. This project is supported by NSF-DMR Award No.1257649. NHMFL is supported by NSF Cooperative Agreement No. DMR-1157490, the State of Florida, and the U.S. DoE.

Photoelectron diffraction and holography: Some new directions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fadley, C.S.

1993-08-01

Photoelectron diffraction has by now become a versatile and powerful technique for studying surface structures, with special capabilities for resolving chemical and magnetic states of atoms and deriving direct structural information from both forward scattering along bond directions and back-scattering path length differences. Further fitting experiment to theory can lead to structural accuracies in the {plus_minus}0.03 ){Angstrom} range. Holographic inversions of such diffraction data also show considerable promise for deriving local three-dimensional structures around a given emitter with accuracies of {plus_minus}0.2--0.3 {Angstrom}. Resolving the photoelectron spin in some way and using circularly polarized radiation for excitation provide added dimensions formore » the study of magnetic systems and chiral experimental geometries. Synchrotron radiation with the highest brightness and energy resolution, as well as variable polarization, is crucial to the full exploitation of these techniques.« less

Magnetic dimers and trimers in the disordered S =3/2 spin system BaTi1/2Mn1/2O3

NASA Astrophysics Data System (ADS)

Garcia, F. A.; Kaneko, U. F.; Granado, E.; Sichelschmidt, J.; Hölzel, M.; Duque, J. G. S.; Nunes, C. A. J.; Amaral, R. P.; Marques-Ferreira, P.; Lora-Serrano, R.

2015-06-01

We report a structural-magnetic investigation by x-ray absorption spectroscopy (XAS), neutron diffraction, dc susceptibility (χdc), and electron spin resonance (ESR) of the 12R-type perovskite BaTi1/2Mn1/2O3 . Our structural analysis by neutron diffraction supports the existence of structural trimers with chemically disordered occupancy of Mn4+ and Ti4+ ions, with the valence of the Mn ions confirmed by the XAS measurements. The magnetic properties are explored by combining dc-susceptibility and X -band (9.4 GHz) electron spin resonance, both in the temperature interval of 2 ≤T ≤1000 K. A scenario is presented under which the magnetism is explained by considering magnetic dimers and trimers, with exchange constants Ja/kB=200 (2 ) K and Jb/kB=130 (10 ) K, and orphan spins. Thus, BaTi1/2Mn1/2O3 is proposed as a rare case of an intrinsically disordered S =3/2 spin gap system with a frustrated ground state.

New Process for the Goss Texture Formation and Magnetic Property in Silicon Steel Sheet by Hot Asymmetric Rolling and Annealing

NASA Astrophysics Data System (ADS)

Nam, Su Kwon; Kim, Gwang-Hee; Lee, Dong Nyung; Kim, Insoo

2018-03-01

The shear deformation texture of bcc metals is characterized by the Goss orientation, or {110}<001>, which is a highly useful orientation for grain-oriented silicon steels because it gives rise to high magnetic permeability along the <100> direction. To obtain the Goss texture, or {110}<001>, in silicon steel sheets, a silicon steel sheet was subjected to an 89 pct reduction in thickness via asymmetric rolling at 750 °C. This step resulted in the well-developed Goss texture. When multiple asymmetrically rolled steel sheets were subsequently annealed, one at 900 °C for 1 hour and the other at 1200 °C for a short period of 5 minutes in a box furnace with air atmosphere, a strong Goss texture was developed in the silicon steel sheets. The texture was measured via X-ray diffraction and electron backscatter diffraction. The magnetization curve of each specimen was measured by the vibrating sample magnetometer and the measured magnetization curve showed the typical soft magnetic characteristics.

Compositional dependence of magnetic anisotropy in chemically synthesized Co3- x Fe x O4 (0 ≤ x ≤ 2)

NASA Astrophysics Data System (ADS)

Hayashi, Kensuke; Yamada, Keisuke; Shima, Mutsuhiro

2018-01-01

Magnetic anisotropy of Co3- x Fe x O4 (CFO, 0 ≤ x ≤ 2) thin-film and powder samples prepared by a sol-gel method has been investigated as a function of Fe composition x. Structural analyses by X-ray diffraction show that CFO powder samples exhibit diffraction peaks associated with the spinel structure when x < 2, while CFO thin-film samples with thickness of 130-510 nm yield the peaks when 0 ≤ x ≤ 2. CFO thin-film samples are highly (111)-oriented with the Lotgering factor greater than 0.9 when 0.6 ≤ x ≤ 1.3. The magnetic anisotropy constant K 1 of CFO powder samples estimated from their room-temperature hysteresis loops yields a minimum when x = 0.9. Relatively large in-plane magnetic anisotropy (K eff = 5.7 × 105 erg/cm3) is observed for the CFO thin-film sample when x = 1.3. With increasing x, the magnetic easy axis of the spinel CFO changes from 〈111〉 to 〈100〉 when x = 0.9.

Compaction and sintering behaviors of a Nd-Fe-B permanent magnet alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chin, T.; Hung, M.; Tsai, D.

1988-11-15

Extensive x-ray diffraction (XRD) and magnetic measurements were done on Nd/sub 15/ Fe/sub 77/ B/sub 8/ magnet alloy green compacts after cold isostatic pressing following a pulsed 2-T field (CIP) and die-pressing under a static 1.2-T perpendicular field (DP1) or parallel field (DP2), and on those after sintering. An alignment factor F, through the calculation of the integrated diffraction intensity ratio of the XRD patterns, was adopted as the effectiveness of magnetic alignment. At the green compact state, DP1 has the best alignment while CIP the worst. However, after sintering the alignment factor was such that CIP>DPI>DP2, the same ordermore » as the magnetic properties. Three mechanisms were proposed for the evolution of the alignment factor at different stages of sintering, i.e., that both the appearance of a liquid phase at low temperatures and preferred grain growth at high temperatures enhance F, while recrystallization at intermediate temperatures deteriorates F. CIP results in less-defect green compact, hence less recrystallization, leading to better resultant alignment« less

Investigation of Room temperature Ferromagnetism in Mn doped Ge

NASA Astrophysics Data System (ADS)

Colakerol Arslan, Leyla; Toydemir, Burcu; Onel, Aykut Can; Ertas, Merve; Doganay, Hatice; Gebze Inst of Tech Collaboration; Research Center Julich Collaboration

2014-03-01

We present a systematic investigation of structural, magnetic and electronic properties of MnxGe1 -x single crystals. MnxGe1-x films were grown by sequential deposition of Ge and Mn by molecular-beam epitaxy at low substrate temperatures in order to avoid precipitation of ferromagnetic Ge-Mn intermetallic compounds. Reflected high energy electron diffraction and x-ray diffraction observations revealed that films are epitaxially grown on Si (001) substrates from the initial stage without any other phase formation. Magnetic measurements carried out using a physical property measurement system showed that all samples exhibited ferromagnetism at room temperature. Electron spin resonance indicates the presence of magnetically ordered localized spins of divalent Mn ions. X-ray absorption measurements at the Mn L-edge confirm significant substitutional doping of Mn into Ge-sites. The ferromagnetism was mainly induced by Mn substitution for Ge site, and indirect exchange interaction of these magnetic ions with the intrinsic charge carriers is the origin of ferromagnetism. The magnetic interactions were better understood by codoping with nonmagnetic impurities. This work was supported by Marie-Curie Reintegration Grant (PIRG08-GA-2010-276973).

Magnetic structure and phase stability of the van der Waals bonded ferromagnet Fe 3-xGeTe 2

DOE PAGES

May, Andrew F.; Calder, Stuart A.; Cantoni, Claudia; ...

2016-01-08

The magnetic structure and phase diagram of the layered ferromagnetic compound Fe 3GeTe 2 have been investigated by a combination of synthesis, x-ray and neutron diffraction, high-resolution microscopy, and magnetization measurements. Single crystals were synthesized by self-flux reactions, and single-crystal neutron diffraction finds ferromagnetic order with moments of 1.11(5)μ B/Fe aligned along the c axis at 4 K. These flux-grown crystals have a lower Curie temperature T c ≈ 150 K than crystals previously grown by vapor transport (T c = 220 K). The difference is a reduced Fe content in the flux-grown crystals, as illustrated by the behavior observedmore » in a series of polycrystalline samples. As Fe content decreases, so do the Curie temperature, magnetic anisotropy, and net magnetization. Furthermore, Hall-effect and thermoelectric measurements on flux-grown crystals suggest that multiple carrier types contribute to electrical transport in Fe 3–xGeTe 2 and structurally similar Ni 3–xGeTe 2.« less

Three-dimensional magnetophotonic crystals based on artificial opals

NASA Astrophysics Data System (ADS)

Baryshev, A. V.; Kodama, T.; Nishimura, K.; Uchida, H.; Inoue, M.

2004-06-01

We fabricated and experimentally investigated three-dimensional magnetophotonic crystals (3D MPCs) based on artificial opals. Opal samples with three-dimensional dielectric lattices were impregnated with different types of magnetic material. Magnetic and structural properties of 3D MPCs were studied by field emission scanning electron microscopy, x-ray diffraction analysis, and vibrating sample magnetometer. We have shown that magnetic materials synthesized in voids of opal lattices and the composites obtained have typical magnetic properties.

Sm and Y radiolabeled magnetic fluids: magnetic and magneto-optical characterization

NASA Astrophysics Data System (ADS)

Aquino, R.; Gomes, J. A.; Tourinho, F. A.; Dubois, E.; Perzynski, R.; da Silva, G. J.; Depeyrot, J.

2005-03-01

We report on magnetic fluids based on samarium and ytrium-doped nanoparticles. The nanostructures chemical composition is checked and X-ray diffraction provides both their mean size and a structural characterization. Magnetization and magneto-optical birefringence results are presented and well agree with the pure maghemite behavior. Since these particles can become radioactive after neutron activation, they could therefore represent a new perspective for biomedical applications in the radiation therapy of cancer.

Zr doping dependence of structural and magnetic properties of cobalt ferrite synthesized by sol-gel based Pechini method

NASA Astrophysics Data System (ADS)

Motavallian, Pourya; Abasht, Behzad; Abdollah-Pour, Hassan

2018-04-01

Nanocrystalline CoZrxFe2-xO4 (0 ≤ x ≤ 0.3 in a step of 0.05) powders were synthesized by Pechini sol-gel method. The dry gel was grinded and calcined at 700 °C in a static air atmosphere for 1 h. Some tests such as thermo gravimetric analysis (TGA) combined with differential analysis (DTA), fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM) and vibrating sample magnetometer (VSM) were carried out to investigate the thermal behaviour, structural bonds identification, crystallographic properties, morphology and magnetic properties of the obtained powders. X-ray diffraction revealed a single-phase cubic spinel structure for all samples, where the crystallite size decreases; the lattice parameter simultaneously increases with substitution of Zr. The results of FE-SEM showed that the particle size is in the 20-70 nm range. The magnetic properties such as saturation magnetization (Ms), remanent magnetization (Mr) and coercivity (Hc) were measured from the hysteresis loops. The greatest amount of saturation magnetization for CoZr0.05Fe1.95O4 sample was 67.9 emu·g-1.

Temperature-Dependent Cycloidal Magnetic Structure in GdRu2Al10 Studied by Resonant X-ray Diffraction

NASA Astrophysics Data System (ADS)

Matsumura, Takeshi; Yamamoto, Takayoshi; Tanida, Hiroshi; Sera, Masafumi

2017-09-01

We have performed resonant X-ray diffraction experiments on the antiferromagnet GdRu2Al10 and have clarified that the magnetic structure in the ordered state is cycloidal with the moments lying in the bc-plane and propagating along the b-axis. The propagation vector shows a similar temperature dependence to the magnetic order parameter, which can be interpreted as being associated with the gap opening in the conduction band and the resultant change in the magnetic exchange interaction. Although the S = 7/2 state of Gd is almost isotropic, the moments show slight preferential ordering along the b-axis. The c-axis component in the cycloid develops with decreasing temperature through a tiny transition in the ordered phase. We also show that the scattering involves the σ-σ' process, which is forbidden in normal E1-E1 resonance of magnetic dipole origin. We discuss the possibility of the E1-E2 resonance originating from a toroidal moment due to the lack of inversion symmetry at the Gd site. The spin-flop transition in a magnetic field is also described in detail.

Evolution of structure and magnetic properties for BaFe11.9Al0.1O19 hexaferrite in a wide temperature range

NASA Astrophysics Data System (ADS)

Trukhanov, A. V.; Trukhanov, S. V.; Panina, L. V.; Kostishyn, V. G.; Kazakevich, I. S.; Trukhanov, An. V.; Trukhanova, E. L.; Natarov, V. O.; Turchenko, V. A.; Salem, M. M.; Balagurov, A. M.

2017-03-01

M-type BaFe11.9Al0.1O19 hexaferrite was successfully synthesized by solid state reactions. Precision investigations of crystal and magnetic structures of BaFe11.9Al0.1O19 powder by neutron diffraction in the temperature range 4.2-730 K have been performed. Magnetic and electrical properties investigations were carried out in the wide temperature range. Neutron powder diffraction data were successfully refined in approximation for both space groups (SG): centrosymmetric #194 (standard non-polar phase) and non-centrosymmetric #186 (polar phase). It has been shown that at low temperatures (below room temperature) better fitting results (value χ2) were for the polar phase (SG: #186) or for the two phases coexistence (SG: #186 and SG: #194). At high temperatures (400-730 K) better fitting results were for SG: #194. It was established coexistence of the dual ferroic properties (specific magnetization and spontaneous polarization) at room temperature. Strong correlation between magnetic and electrical subsystems was demonstrated (magnetoelectrical effect). Temperature dependences of the spontaneous polarization, specific magnetization and magnetoelectrical effect were investigated.

Magnetic and dielectric properties of Ca-substituted BiFeO3 nanoferrites by the sol-gel method.

PubMed

Lin, Jinpei; Guo, Zeping; Li, Mei; Lin, Qing; Huang, Kangling; He, Yun

2018-01-01

A multiferroic material can simultaneously show two or more basic magnetic properties, including ferromagnetism, antiferromagnetism, and ferroelectricity. BiFeO 3 is a multiferroic material with a rhombohedral distorted perovskite structure. Doping can reduce the volatility of Bi and greatly improve the magnetoelectric properties of BiFeO 3 . To investigate the influence of the doping content we used the following analytical methods: X-ray powder diffraction (XRD), scanning electron microscopy (SEM), microwave network analysis (PNA-N5244A), and the Superconducting Quantum Interference Device (Quantum Design MPMS) test. With the increase of Ca 2+ concentration in the solution, the grain size of Bi 1- x Ca x FeO 3 becomes smaller, showing the role of Ca 2+ ions as the dopant for fine grains. The calcination temperatures are the major causes for the saturated magnetization. The residual magnetization ( M r ) and the coercive force ( H c ) decrease linearly with the increase of x value, and due to the effect of Ca 2+ substitution at Bi 3+ sites, which causes the valence change of Fe and/or the oxygen vacancies. The XRD result indicates that the diffraction peak emerges with the increase of Ca 2+ and the main diffraction peak achieves a high angle. The best calcining temperature is 600 °C, and the morphology is very dependent on the calcining temperature.

Growth, structure, and magnetic properties of {gamma}-Fe{sub 2}O{sub 3} epitaxial films on MgO

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, Y.; Kim, Y.J.; Thevuthasan, S.

1997-04-01

Single-crystal epitaxial thin films of {gamma}-Fe{sub 2}O{sub 3}(001) have been grown on MgO(001) using oxygen-plasma-assisted molecular beam epitaxy. The structure and magnetic properties of these films have been characterized by a variety of techniques, including reflection high-energy electron diffraction (RHEED), low-energy electron diffraction (LEED), x-ray photoelectron spectroscopy and x-ray photoelectron/Auger electron diffraction (XPD/AED), vibrating sample magnetometry, and ferromagnetic resonance. Real-time RHEED reveals that the film growth occurs in a layer-by-layer fashion. The {gamma}-Fe{sub 2}O{sub 3}(001) film surface exhibits a (1{times}1) LEED pattern. The growth of {gamma}-Fe{sub 2}O{sub 3} films at 450 {degree}C is accompanied by significant Mg outdiffusion. AED ofmore » Mg KLL Auger emission reveals that Mg substitutionally incorporates in the {gamma}-Fe{sub 2}O{sub 3} lattice, occupying the octahedral sites. Magnetic moments are {approximately}2300 G and {approximately}4500 G for {gamma}-Fe{sub 2}O{sub 3} films grown at 250{degree}C and 450{degree}C, respectively. The high magnetic moment for the films grown at 450{degree}C could be attributed to the high degree of structural order of the films and Mg substitution at octahedral sites. {copyright} {ital 1997 American Institute of Physics.}« less

Nuclear magnetic resonance detection and spectroscopy of single proteins using quantum logic.

PubMed

Lovchinsky, I; Sushkov, A O; Urbach, E; de Leon, N P; Choi, S; De Greve, K; Evans, R; Gertner, R; Bersin, E; Müller, C; McGuinness, L; Jelezko, F; Walsworth, R L; Park, H; Lukin, M D

2016-02-19

Nuclear magnetic resonance spectroscopy is a powerful tool for the structural analysis of organic compounds and biomolecules but typically requires macroscopic sample quantities. We use a sensor, which consists of two quantum bits corresponding to an electronic spin and an ancillary nuclear spin, to demonstrate room temperature magnetic resonance detection and spectroscopy of multiple nuclear species within individual ubiquitin proteins attached to the diamond surface. Using quantum logic to improve readout fidelity and a surface-treatment technique to extend the spin coherence time of shallow nitrogen-vacancy centers, we demonstrate magnetic field sensitivity sufficient to detect individual proton spins within 1 second of integration. This gain in sensitivity enables high-confidence detection of individual proteins and allows us to observe spectral features that reveal information about their chemical composition. Copyright © 2016, American Association for the Advancement of Science.

Investigation of the Possibility of Using Nuclear Magnetic Spin Alignment

NASA Technical Reports Server (NTRS)

Dent, William V., Jr.

1998-01-01

The goal of the program to investigate a "Gasdynamic fusion propulsion system for space exploration" is to develop a fusion propulsion system for a manned mission to the planet mars. A study using Deuterium and Tritium atoms are currently in progress. When these atoms under-go fusion, the resulting neutrons and alpha particles are emitted in random directions (isotropically). The probable direction of emission is equal for all directions, thus resulting in wasted energy, massive shielding and cooling requirements, and serious problems with the physics of achieving fusion. If the nuclear magnetic spin moments of the deuterium and tritium nuclei could be precisely aligned at the moment of fusion, the stream of emitted neutrons could be directed out the rear of the spacecraft for thrust and the alpha particles directed forward into an electromagnet ot produce electricity to continue operating the fusion engine. The following supporting topics are discussed: nuclear magnetic moments and spin precession in magnetic field, nuclear spin quantum mechanics, kinematics of nuclear reactions, and angular distribution of particles.

Synthesis and characterization of Ca-doped LaMnAsO

NASA Astrophysics Data System (ADS)

Liu, Yong; Straszheim, Warren E.; Das, Pinaki; Islam, Farhan; Heitmann, Thomas W.; McQueeney, Robert J.; Vaknin, David

2018-05-01

We report on our attempt to hole-dope the antiferromagnetic semiconductor LaMnAsO by substitution of the La3 + site by Ca2 +. We use neutron and x-ray diffraction, magnetic susceptibility, and transport techniques to characterize polycrystalline (La1 -xCax)MnAsO samples prepared by solid-state reaction and find that the parent compound is highly resistant to substitution with an upper limit x ≤0.01 . Magnetic susceptibility of the parent and the x =0.002 (xnom=0.04 ) compounds indicate a negligible presence of magnetic impurities (i.e., MnO or MnAs). Rietveld analysis of neutron and x-ray diffraction data shows the preservation of both the tetragonal (P 4 /n m m ) structure upon doping and the antiferromagnetic ordering temperature, TN=355 ±5 K.

Thermal expansion and cation partitioning of MnFe2O4 (Jacobsite) from 1.6 to 1276 K studied by using neutron powder diffraction

NASA Astrophysics Data System (ADS)

Levy, Davide; Pastero, Linda; Hoser, Andreas; Viscovo, Gabriele

2015-01-01

MnFe2O4 is a low-cost and stable magnetic spinel ferrite. In this phase, the influence of the inversion degree on the magnetic properties is still not well understood. To understand this relationship, Mn-ferrite was synthesized by a chemical co-precipitation method modified in our laboratory and studied by using the Neutron Powder Diffraction from 1.6 K to 1243 K. A full refinement of both crystal and magnetic structures was performed in order to correlate the high-temperature cation partitioning, the Curie transition and the structure changes of the Mn-ferrite. In this work three main temperature intervals are detected, characterized by different Mn-ferrite behaviors: first, ranging from 1.6 K to 573 K, where MnFe2O4 is magnetic; second, from 573 K to 623 K, where MnFe2O4 becomes paramagnetic without cation partitioning; and lastly, from 673 K to 1243 K, where cation partitioning occurs.

Magnetic structure of the swedenborgite CaBa (Co3Fe ) O7 derived by unpolarized neutron diffraction and spherical neutron polarimetry

NASA Astrophysics Data System (ADS)

Qureshi, N.; Díaz, M. T. Fernández; Chapon, L. C.; Senyshyn, A.; Schweika, W.; Valldor, M.

2018-02-01

We present a study that combines polarized and unpolarized neutrons to derive the magnetic structure of the swedenborgite compound CaBa (Co3Fe ) O7. Integrated intensities from a standard neutron diffraction experiment and polarization matrices from spherical neutron polarimetry have been simultaneously analyzed revealing a complex order, which differs from the usual spin configurations on a kagome lattice. We find that the magnetic structure is well described by a combination of two one-dimensional representations corresponding to the magnetic superspace symmetry P 21' , and it consists of spins rotating around an axis close to the [110] direction. Due to the propagation vector q =(1/3 00 ) , this modulation has cycloidal and helicoidal character rendering this system a potential multiferroic. The resulting spin configuration can be mapped onto the classical √{3 }×√{3 } structure of a kagome lattice, and it indicates an important interplay between the kagome and the triangular layers of the crystal structure.

Extended investigation of intermartensitic transitions in Ni-Mn-Ga magnetic shape memory alloys: A detailed phase diagram determination

DOE Office of Scientific and Technical Information (OSTI.GOV)

Çakir, Asli; Aktürk, Selçuk; Righi, Lara

2013-11-14

Martensitic transitions in shape memory Ni-Mn-Ga Heusler alloys take place between a high temperature austenite and a low temperature martensite phase. However, intermartensitic transformations have also been encountered that occur from one martensite phase to another. To examine intermartensitic transitions in magnetic shape memory alloys in detail, we carried out temperature dependent magnetization, resistivity, and x-ray diffraction measurements to investigate the intermartensitic transition in Ni{sub 50}Mn{sub 50–x}Ga{sub x} in the composition range 12≤x≤25 at. %. Rietveld refined x-ray diffraction results are found to be consistent with magnetization and resistivity data. Depending on composition, we observe that intermartensitic transitions occur inmore » the sequences 7M→L1{sub 0}, 5M→7M, and 5M→7M→L1{sub 0} with decreasing temperature. The L1{sub 0} non-modulated structure is most stable at low temperature.« less

Fabrication and characterization of morphology-tuned single-crystal monodisperse Fe3O4 nanocrystals

NASA Astrophysics Data System (ADS)

Yu, Xuegang; Shan, Yan; Chen, Kezheng

2018-05-01

Monodisperse Fe3O4 nanocrystals with different size and morphology have been successfully fabricated by a facile high temperature reflow method. The presented materials were characterized by X-ray diffraction (XRD), fourier transform infrared (FTIR) spectroscopy, transmission electron microscope (TEM), selection area electron diffraction (SAED) and magnetic property measurement system (MPMS). The results showed that the as-prepared materials have face-centered cubic structures. Oleic acid plays a key role in the dispersion of Fe3O4 nanocrystals. The cubic and octahedral nanocrystals are enclosed by {1 0 0} and {1 1 1} lattice planes. The MPMS measurements show that magnetic properties are closely related to the sizes of the materials, and there is a stronger dipolar interaction between Fe3O4 nanocrystals with larger sizes. The controllable magnetic property and good dispersion endow the as-synthesized materials with great potential applications in magnetic fluid fields including sealing, medical equipment, mineral processing and other aspects.

Neutron powder diffraction study on the iron-based nitride superconductor ThFeAsN

NASA Astrophysics Data System (ADS)

Mao, Huican; Wang, Cao; Maynard-Casely, Helen E.; Huang, Qingzhen; Wang, Zhicheng; Cao, Guanghan; Li, Shiliang; Luo, Huiqian

2017-03-01

We report neutron diffraction and transport results on the newly discovered superconducting nitride ThFeAsN with T_c= 30 \\text{K} . No magnetic transition, but a weak structural distortion around 160 K, is observed by cooling from 300 K to 6 K. Analysis on the resistivity, Hall transport and crystal structure suggests that this material behaves as an electron optimally doped pnictide superconductor due to extra electrons from nitrogen deficiency or oxygen occupancy at the nitrogen site, which, together with the low arsenic height, may enhance the electron itinerancy and reduce the electron correlations, thus suppressing the static magnetic order.

La 3+ doping of the Sr 2CoWO 6 double perovskite: A structural and magnetic study

NASA Astrophysics Data System (ADS)

López, C. A.; Viola, M. C.; Pedregosa, J. C.; Carbonio, R. E.; Sánchez, R. D.; Fernández-Díaz, M. T.

2008-11-01

La-doped Sr 2CoWO 6 double perovskites have been prepared in air in polycrystalline form by solid-state reaction. These materials have been studied by X-ray powder diffraction (XRPD), neutron powder diffraction (NPD) and magnetic susceptibility. The structural refinement was performed from combined XRPD and NPD data (D2B instrument, λ=1.594 Å). At room temperature, the replacement of Sr 2+ by La 3+ induces a change of the tetragonal structure, space group I4/ m of the undoped Sr 2CoWO 6 into the distorted monoclinic crystal structure, space group P2 1/ n, Z=2. The structure of La-doped phases contains alternating CoO 6 and (Co/W)O 6 octahedra, almost fully ordered. On the other hand, the replacement of Sr 2+ by La 3+ induces a partial replacement of W 6+ by Co 2+ into the B sites, i.e. Sr 2-xLa xCoW 1-yCo yO 6 ( y= x/4) with segregation of SrWO 4. Magnetic and neutron diffraction measurements indicate an antiferromagnetic ordering below TN=24 K independently of the La-substitution.

Basic physics of nuclear magnetic resonance.

PubMed

Patz, S

1986-01-01

This review of basic physics of nuclear magnetic resonance (NMR) discusses precession of magnetic nuclei in a static external field, introduces the concept of the rotating frame, and describes excitation of nuclei by an RF field. Treats subject of T1 and T2 relaxation from the dual viewpoints of (1) phenomena of relaxation times for both the longitudinal and transverse magnetization and (2) relaxation resulting from local field fluctuations. It describes practical ways in which T1 and T2 are measured (i.e., inversion recovery and spin-echo) and gives the value of the nuclear magnetization in thermodynamic equilibrium with a static external field. It discusses the reduction of NMR signal resulting from saturation. These concepts are related to clinical use with a set of four spin-echo images of a human head.

Novel detection schemes of nuclear magnetic resonance and magnetic resonance imaging: applications from analytical chemistry to molecular sensors.

PubMed

Harel, Elad; Schröder, Leif; Xu, Shoujun

2008-01-01

Nuclear magnetic resonance (NMR) is a well-established analytical technique in chemistry. The ability to precisely control the nuclear spin interactions that give rise to the NMR phenomenon has led to revolutionary advances in fields as diverse as protein structure determination and medical diagnosis. Here, we discuss methods for increasing the sensitivity of magnetic resonance experiments, moving away from the paradigm of traditional NMR by separating the encoding and detection steps of the experiment. This added flexibility allows for diverse applications ranging from lab-on-a-chip flow imaging and biological sensors to optical detection of magnetic resonance imaging at low magnetic fields. We aim to compare and discuss various approaches for a host of problems in material science, biology, and physics that differ from the high-field methods routinely used in analytical chemistry and medical imaging.

Rotatable Small Permanent Magnet Array for Ultra-Low Field Nuclear Magnetic Resonance Instrumentation: A Concept Study

PubMed Central

Vegh, Viktor; Reutens, David C.

2016-01-01

Object We studied the feasibility of generating the variable magnetic fields required for ultra-low field nuclear magnetic resonance relaxometry with dynamically adjustable permanent magnets. Our motivation was to substitute traditional electromagnets by distributed permanent magnets, increasing system portability. Materials and Methods The finite element method (COMSOL®) was employed for the numerical study of a small permanent magnet array to calculate achievable magnetic field strength, homogeneity, switching time and magnetic forces. A manually operated prototype was simulated and constructed to validate the numerical approach and to verify the generated magnetic field. Results A concentric small permanent magnet array can be used to generate strong sample pre-polarisation and variable measurement fields for ultra-low field relaxometry via simple prescribed magnet rotations. Using the array, it is possible to achieve a pre-polarisation field strength above 100 mT and variable measurement fields ranging from 20–50 μT with 200 ppm absolute field homogeneity within a field-of-view of 5 x 5 x 5 cubic centimetres. Conclusions A dynamic small permanent magnet array can generate multiple highly homogeneous magnetic fields required in ultra-low field nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI) instruments. This design can significantly reduce the volume and energy requirements of traditional systems based on electromagnets, improving portability considerably. PMID:27271886

X-ray Magnetic Scattering From Surfaces^*

NASA Astrophysics Data System (ADS)

Gibbs, Doon

1997-03-01

In the last several years, there have been continuing efforts to probe long-ranged magnetic order at surfaces by x-ray and neutron diffraction, following many earlier studies by low energy electron diffraction. The main motivation has been to discover how bulk magnetic structures are modified near a surface, where the crystal symmetry is broken. In this talk, we describe x-ray scattering studies of the magnetic structure observed near the (001) surface of the antiferromagnet uranium dioxide.(G. M. Watson, Doon Gibbs, G. H. Lander, B. D. Gaulin, L.E. Berman, Hj. Matzke and W. Ellis, Phys. Rev. Lett. 77), 751 (1996). Within about 50 Åof the surface, the intensity of the magnetic scattering decreases continuously as the bulk Neel temperature is approached from below. This contrasts with the bulk magnetic ordering transition which is discontinuous. Recent measurements of the specular magnetic reflectivity suggest that the width of the magnetic interface diverges as a power-law in reduced temperature reminiscent of surface induced disorder. Related experiments concerned with magnetic crystallography of Co_3-Pt(111) surfaces(S. Ferrer, P. Fajardo, F. de Bergevin, J. Alvarez, X. Torrelles, H. A. van der Vegt and V. H. Etgens, Phys. Rev. Lett. 77), 747 (1996). and interfacial magnetic roughness of Co/Cu multilayers(J. F. MacKay, C. Teichert, D.E. Savage and M.G. Lagally, Phys. Rev. Lett. 77), 3925 (1996). will also be discussed. ^* Work at Brookhaven National Laboratory is supported by the U.S. DOE under Contract No. DE-AC02-CH7600016.

Inhomogeneous nuclear spin polarization induced by helicity-modulated optical excitation of fluorine-bound electron spins in ZnSe

NASA Astrophysics Data System (ADS)

Heisterkamp, F.; Greilich, A.; Zhukov, E. A.; Kirstein, E.; Kazimierczuk, T.; Korenev, V. L.; Yugova, I. A.; Yakovlev, D. R.; Pawlis, A.; Bayer, M.

2015-12-01

Optically induced nuclear spin polarization in a fluorine-doped ZnSe epilayer is studied by time-resolved Kerr rotation using resonant excitation of donor-bound excitons. Excitation with helicity-modulated laser pulses results in a transverse nuclear spin polarization, which is detected as a change of the Larmor precession frequency of the donor-bound electron spins. The frequency shift in dependence on the transverse magnetic field exhibits a pronounced dispersion-like shape with resonances at the fields of nuclear magnetic resonance of the constituent zinc and selenium isotopes. It is studied as a function of external parameters, particularly of constant and radio frequency external magnetic fields. The width of the resonance and its shape indicate a strong spatial inhomogeneity of the nuclear spin polarization in the vicinity of a fluorine donor. A mechanism of optically induced nuclear spin polarization is suggested based on the concept of resonant nuclear spin cooling driven by the inhomogeneous Knight field of the donor-bound electron.

Feedback control for manipulating magnetization in spin-exchange optical pumping system

NASA Astrophysics Data System (ADS)

Zhang, Ke; Li, Jun; Jiang, Min; Zhao, Nan; Peng, XinHua

2018-08-01

Control of magnetization plays an important role in the scientific and technological field of manipulating spin systems. In this work, we study the problem of manipulating nuclear magnetization in the spin-exchange optical pumping system, including accelerating the recovery of nuclear polarization and fixing it on a specific desired state. A real-time feedback control strategy is exploited here. We have also done some numerical simulations, with the results clearly demonstrating the effectiveness of our method, that the nuclear magnetization is able to be driven towards the equilibrium state at a much faster speed and also can be stabilized to a target state. We expect that our feedback control method can find applications in gyro experiments.

Electric-field responsive contrast agent based on liquid crystals and magnetic nanoparticles

NASA Astrophysics Data System (ADS)

Mair, Lamar O.; Martinez-Miranda, Luz J.; Kurihara, Lynn K.; Nacev, Aleksandar; Hilaman, Ryan; Chowdhury, Sagar; Jafari, Sahar; Ijanaten, Said; da Silva, Claudian; Baker-McKee, James; Stepanov, Pavel Y.; Weinberg, Irving N.

2018-05-01

The properties of liquid crystal-magnetic nanoparticle composites have potential for sensing in the body. We study the response of a liquid crystal-magnetic nanoparticle (LC-MNP) composite to applied potentials of hundreds of volts per meter. Measuring samples using X-ray diffraction (XRD) and imaging composites using magnetic resonance imaging (MRI), we demonstrate that electric potentials applied across centimeter scale LC-MNP composite samples can be detected using XRD and MRI techniques.

Magnetic structure of the mixed antiferromagnet NdMn 0.8 Fe 0.2 O 3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mihalik, Matus; Mihalik, Marian; Hoser, Andreas

The magnetic structure of the mixed antiferromagnet NdMn 0.8Fe 0.2O 3 was resolved. Neutron powder diffraction data definitively resolve the Mn sublattice with a magnetic propagation vector k=(000) and with the magnetic structure (A x, F y, G z) for 1.6 K N(≈ 59 K). The Nd sublattice has a (0, f y, 0) contribution in the same temperature interval. The Mn sublattice undergoes a spin-reorientation transition at T 1 ≈ 13 K while the Nd magnetic moment abruptly increases at this temperature. Powder x-ray diffraction shows a strong magnetoelastic effect at T N but no additional structural phase transitionsmore » from 3 to 300 K. Density functional theory calculations confirm the magnetic structure of the undoped NdMnO 3 as part of our analysis. Taken together, these results show that the magnetic structure of the Mn sublattice in NdMn 0.8Fe 0.2O 3 is a combination of the Mn and Fe parent compounds, but the magnetic ordering of the Nd sublattice spans a broader temperature interval than in the case of NdMnO 3 and NdFeO 3. Lastly, this result is a consequence of the fact that the Nd ions do not order independently, but via polarization from the Mn/Fe sublattice.« less

Suppression of ferromagnetic order by Ag-doping: A neutron scattering investigation on Ce₂(Pd_1-xAg_x)₂In (x = 0.20, 0.50).

PubMed

Martinelli, Alberto; Giovannini, Mauro; Sereni, Julian G; Ritter, Clemens

2018-05-24

The ground state magnetic behaviour of Ce2(Pd0.8Ag0.2)2In and Ce2(Pd0.5Ag0.5)2In, found in the ferromagnetic branch of Ce2Pd2In, has been investigated by neutron powder diffraction at low temperature. Ce2(Pd0.8Ag0.2)2In is characterized by a ferromagnetic structure with the Ce moments aligned along the c-axis and values of 0.96(2) μB. The compound retains the P4/mbm throughout the magnetic transition, although the magnetic ordering is accompanied by a significant decrease of the lattice strain along [00l], suggesting a magnetostructural contribution. The magnetic behaviour of Ce2(Pd0.5Ag0.5)2In is very different; this compound exhibits an extremely reduced magnetic scattering contribution in the diffraction pattern, that can be ascribed to a different kind of ferromagnetic ordering, with extremely reduced magnetic moments (~ 0.1 μB) aligned along [0l0]. These results point to a competition between different types of magnetic correlations induced by Ag-substitution, giving rise to a magnetically frustrated scenario in Ce2(Pd0.5Ag0.5)2In. © 2018 IOP Publishing Ltd.

Magnetic structure of the mixed antiferromagnet NdMn 0.8 Fe 0.2 O 3

DOE PAGES

Mihalik, Matus; Mihalik, Marian; Hoser, Andreas; ...

2017-10-27

The magnetic structure of the mixed antiferromagnet NdMn 0.8Fe 0.2O 3 was resolved. Neutron powder diffraction data definitively resolve the Mn sublattice with a magnetic propagation vector k=(000) and with the magnetic structure (A x, F y, G z) for 1.6 K N(≈ 59 K). The Nd sublattice has a (0, f y, 0) contribution in the same temperature interval. The Mn sublattice undergoes a spin-reorientation transition at T 1 ≈ 13 K while the Nd magnetic moment abruptly increases at this temperature. Powder x-ray diffraction shows a strong magnetoelastic effect at T N but no additional structural phase transitionsmore » from 3 to 300 K. Density functional theory calculations confirm the magnetic structure of the undoped NdMnO 3 as part of our analysis. Taken together, these results show that the magnetic structure of the Mn sublattice in NdMn 0.8Fe 0.2O 3 is a combination of the Mn and Fe parent compounds, but the magnetic ordering of the Nd sublattice spans a broader temperature interval than in the case of NdMnO 3 and NdFeO 3. Lastly, this result is a consequence of the fact that the Nd ions do not order independently, but via polarization from the Mn/Fe sublattice.« less

Nuclear Magnetic Resonance Trackbed Moisture Sensor System

DOT National Transportation Integrated Search

2018-02-01

In this initial phase, conducted from March 2015 through December 2016, Vista Clara and its subcontractor Zetica Rail successfully developed and tested a man-portable, non-invasive spot-check nuclear magnetic resonance (NMR) moisture sensor that dire...

Structure, spectra and antioxidant action of ascorbic acid studied by density functional theory, Raman spectroscopic and nuclear magnetic resonance techniques.

PubMed

Singh, Gurpreet; Mohanty, B P; Saini, G S S

2016-02-15

Structure, vibrational and nuclear magnetic resonance spectra, and antioxidant action of ascorbic acid towards hydroxyl radicals have been studied computationally and in vitro by ultraviolet-visible, nuclear magnetic resonance and vibrational spectroscopic techniques. Time dependant density functional theory calculations have been employed to specify various electronic transitions in ultraviolet-visible spectra. Observed chemical shifts and vibrational bands in nuclear magnetic resonance and vibrational spectra, respectively have been assigned with the help of calculations. Changes in the structure of ascorbic acid in aqueous phase have been examined computationally and experimentally by recording Raman spectra in aqueous medium. Theoretical calculations of the interaction between ascorbic acid molecule and hydroxyl radical predicted the formation of dehydroascorbic acid as first product, which has been confirmed by comparing its simulated spectra with the corresponding spectra of ascorbic acid in presence of hydrogen peroxide. Copyright © 2015 Elsevier B.V. All rights reserved.

The A{sup 2+}Mn{sub 5}(SO{sub 4}){sub 6} family of triangular lattice, ferrimagnetic sulfates

DOE Office of Scientific and Technical Information (OSTI.GOV)

West, D.V., E-mail: barelytone@gmail.co; McQueen, T.M.; Posen, I.D.

2009-06-15

A new family of anhydrous sulfates, A{sup 2+}Mn{sub 5}(SO{sub 4}){sub 6} (A=Pb, Ba, Sr) is reported. The crystal structures of PbMn{sub 5}(SO{sub 4}){sub 6} and SrMn{sub 5}(SO{sub 4}){sub 6} are solved by powder X-ray and neutron diffraction. BaMn{sub 5}(SO{sub 4}){sub 6} is isostructural. PbMn{sub 5}(SO{sub 4}){sub 6} crystallizes with P3-bar symmetry and unit cell parameters of a=14.551(1) A and c=7.535(1) A. The structure has rich features, including dimers of face-sharing MnO{sub 6} octahedra, and two complementary triangular layers of Mn atoms. All compounds undergo a magnetic ordering transition at 10 K, below which, the magnetic susceptibility of the compounds variesmore » systematically with the radius of the non-magnetic cation. Low temperature neutron diffraction shows that the complementary triangular layers result in a ferrimagnet with a net moment corresponding to one high spin Mn{sup 2+} per unit cell, correlating well with the magnetization data. The non-magnetic variant PbMg{sub 5}(SO{sub 4}){sub 6} is also reported. - Graphical abstract: A new family sulfates, A{sup 2+}Mn{sub 5}(SO{sub 4}){sub 6} (A=Pb, Ba, Sr) is reported. Structures are solved by powder neutron diffraction. PbMn{sub 5}(SO{sub 4}){sub 6} is trigonal with lattice parameters of a=14.551(1) A and c=7.535(1) A. The structure has dimers of face-sharing MnO{sub 6} octahedra, and two complementary triangular layers of Mn atoms that result in a ferrimagnet. All compounds magnetically order at 10 K. Low field susceptibility varies systematically with non-magnetic cation radius.« less

Fabrication and physicochemical characterization of porous composite microgranules with selenium oxyanions and risedronate sodium for potential applications in bone tumors.

PubMed

Kolmas, Joanna; Pajor, Kamil; Pajchel, Lukasz; Przekora, Agata; Ginalska, Grażyna; Oledzka, Ewa; Sobczak, Marcin

2017-01-01

Nanocrystalline hydroxyapatite containing selenite ions (SeHA; 9.6 wt.% of selenium) was synthesized using wet method and subject to careful physicochemical analysis by powder X-ray diffraction, Fourier transform infrared spectroscopy, transmission electron microscopy, solid-state nuclear magnetic resonance, wavelength dispersive X-ray fluorescence, and inductively coupled plasma optical emission spectrometry. SeHA was then used to develop the selenium-containing hydroxyapatite/alginate (SeHA/ALG) composite granules. Risedronate sodium (RIS) was introduced to the obtained spherical microgranules of a size of about 1.1-1.5 mm in 2 ways: during the granules' preparation (RIS solution added to a suspension of ALG and SeHA), and as a result of SeHA/ALG granules soaking in aqueous RIS solution. The analysis made using 13 C and 31 P cross-polarization magic angle spinning nuclear magnetic resonance confirmed the presence of RIS and its interaction with calcium ions. Then, the release of selenium (inductively coupled plasma optical emission spectrometry) and RIS (high-performance liquid chromatography) from microgranules was examined. Moreover, cytotoxicity of fabricated granules was assessed by MTT test. Selenium release was biphasic: the first stage was short and ascribed to a "burst release" probably from a hydrated surface layer of SeHA crystals, while the next stage was significantly longer and ascribed to a sustained release of selenium from the crystals' interior. The study showed that the method of obtaining microgranules containing RIS significantly affects its release profile. Performed cytotoxicity test revealed that fabricated granules had high antitumor activity against osteosarcoma cells. However, because of the "burst release" of selenium during the first 10 h, the granules significantly reduced viability of normal osteoblasts as well.

Novel banana peel pectin mediated green route for the synthesis of hydroxyapatite nanoparticles and their spectral characterization.

PubMed

Gopi, D; Kanimozhi, K; Bhuvaneshwari, N; Indira, J; Kavitha, L

2014-01-24

Hydroxyapatite [HAP, Ca10(PO4)6(OH)2] is the main inorganic component of natural bone and is widely used in various biomedical applications. In this paper, we have reported the synthesis of HAP nanoparticles by banana peel pectin mediated green template method. The pectin extracted from the peels of banana and its various concentrations were exploited in our study to achieve a controlled crystallinity, particle size as well as uniform morphology of HAP. The extracted pectin was characterized by spectral techniques like Fourier transform infrared spectroscopy (FTIR) for the functional group analysis, proton-1 nuclear magnetic resonance spectroscopy ((1)H NMR) and carbon-13 nuclear magnetic resonance spectroscopy ((13)C NMR) for the identification of H and C atoms in the extracted pectin, respectively. The HAP nanoparticles were synthesized using different concentrations of the as-extracted pectin. The purity, crystallinity and morphology of the as-synthesized HAP nanoparticles were evaluated by FTIR, X-ray diffraction (XRD) and scanning electron microscopy (SEM) with energy dispersive X-ray analysis (EDAX) and transmission electron microscopy (TEM), respectively. Moreover the antibacterial activity of HAP nanoparticles was evaluated against the gram positive and negative bacteria like Staphylococcus aureus (S. aureus) and Escherichia coli (E. coli), respectively. The experimental results revealed that the HAP nanoparticles synthesized in the presence of an optimized concentration of pectin are pure, low crystalline, spherical and discrete particles with reduced size. Also, the HAP sample derived in the presence of pectin showed an enhanced antibacterial activity than that of the HAP synthesized in the absence of pectin. Hence, the HAP nanoparticles synthesized using pectin as a green template can act as a good biomaterial for biomedical applications. Copyright © 2013 Elsevier B.V. All rights reserved.

Novel banana peel pectin mediated green route for the synthesis of hydroxyapatite nanoparticles and their spectral characterization

NASA Astrophysics Data System (ADS)

Gopi, D.; Kanimozhi, K.; Bhuvaneshwari, N.; Indira, J.; Kavitha, L.

2014-01-01

Hydroxyapatite [HAP, Ca10(PO4)6(OH)2] is the main inorganic component of natural bone and is widely used in various biomedical applications. In this paper, we have reported the synthesis of HAP nanoparticles by banana peel pectin mediated green template method. The pectin extracted from the peels of banana and its various concentrations were exploited in our study to achieve a controlled crystallinity, particle size as well as uniform morphology of HAP. The extracted pectin was characterized by spectral techniques like Fourier transform infrared spectroscopy (FTIR) for the functional group analysis, proton-1 nuclear magnetic resonance spectroscopy (1H NMR) and carbon-13 nuclear magnetic resonance spectroscopy (13C NMR) for the identification of H and C atoms in the extracted pectin, respectively. The HAP nanoparticles were synthesized using different concentrations of the as-extracted pectin. The purity, crystallinity and morphology of the as-synthesized HAP nanoparticles were evaluated by FTIR, X-ray diffraction (XRD) and scanning electron microscopy (SEM) with energy dispersive X-ray analysis (EDAX) and transmission electron microscopy (TEM), respectively. Moreover the antibacterial activity of HAP nanoparticles was evaluated against the gram positive and negative bacteria like Staphylococcus aureus (S. aureus) and Escherichia coli (E. coli), respectively. The experimental results revealed that the HAP nanoparticles synthesized in the presence of an optimized concentration of pectin are pure, low crystalline, spherical and discrete particles with reduced size. Also, the HAP sample derived in the presence of pectin showed an enhanced antibacterial activity than that of the HAP synthesized in the absence of pectin. Hence, the HAP nanoparticles synthesized using pectin as a green template can act as a good biomaterial for biomedical applications.

Fabrication and physicochemical characterization of porous composite microgranules with selenium oxyanions and risedronate sodium for potential applications in bone tumors

PubMed Central

Kolmas, Joanna; Pajor, Kamil; Pajchel, Lukasz; Przekora, Agata; Ginalska, Grażyna; Oledzka, Ewa; Sobczak, Marcin

2017-01-01

Nanocrystalline hydroxyapatite containing selenite ions (SeHA; 9.6 wt.% of selenium) was synthesized using wet method and subject to careful physicochemical analysis by powder X-ray diffraction, Fourier transform infrared spectroscopy, transmission electron microscopy, solid-state nuclear magnetic resonance, wavelength dispersive X-ray fluorescence, and inductively coupled plasma optical emission spectrometry. SeHA was then used to develop the selenium-containing hydroxyapatite/alginate (SeHA/ALG) composite granules. Risedronate sodium (RIS) was introduced to the obtained spherical microgranules of a size of about 1.1–1.5 mm in 2 ways: during the granules’ preparation (RIS solution added to a suspension of ALG and SeHA), and as a result of SeHA/ALG granules soaking in aqueous RIS solution. The analysis made using 13C and 31P cross-polarization magic angle spinning nuclear magnetic resonance confirmed the presence of RIS and its interaction with calcium ions. Then, the release of selenium (inductively coupled plasma optical emission spectrometry) and RIS (high-performance liquid chromatography) from microgranules was examined. Moreover, cytotoxicity of fabricated granules was assessed by MTT test. Selenium release was biphasic: the first stage was short and ascribed to a “burst release” probably from a hydrated surface layer of SeHA crystals, while the next stage was significantly longer and ascribed to a sustained release of selenium from the crystals’ interior. The study showed that the method of obtaining microgranules containing RIS significantly affects its release profile. Performed cytotoxicity test revealed that fabricated granules had high antitumor activity against osteosarcoma cells. However, because of the “burst release” of selenium during the first 10 h, the granules significantly reduced viability of normal osteoblasts as well. PMID:28848343

Preparation and characterization of glycidyl methacrylate organo bridges grafted mesoporous silica SBA-15 as ibuprofen and mesalamine carrier for controlled release.

PubMed

Rehman, Fozia; Rahim, Abdur; Airoldi, Claudio; Volpe, Pedro L O

2016-02-01

Mesoporous silica SBA-15 was synthesized and functionalized with bridged polysilsesquioxane monomers obtained by the reaction of 3-aminopropyltriethoxy silane with glycidyl methacrylate in 2:1 ratio. The synthesized mesoporous silica materials were characterized by elemental analysis, infrared spectroscopy, nuclear magnetic resonance spectroscopy, nitrogen adsorption, X-ray diffraction, thermogravimetry and scanning electron microscopy. The nuclear magnetic resonance in the solid state is in agreement with the sequence of carbon distributed in the attached organic chains, as expected for organically functionalized mesoporous silica. After functionalization with organic bridges the BET surface area was reduced from 1311.80 to 494.2m(2)g(-1) and pore volume was reduced from 1.98 to 0.89cm(3)g(-1), when compared to original precursor silica. Modification of the silica surface with organic bridges resulted in high loading capacity and controlled release of ibuprofen and mesalamine in biological fluids. The Korsmeyer-Peppas model better fits the release data indicating Fickian diffusion and zero order kinetics for synthesized mesoporous silica. The drug release rate from the modified silica was slow in simulated gastric fluid, (pH1.2) where less than 10% of mesalamine and ibuprofen were released in initial 8h, while comparatively high release rates were observed in simulated intestinal (pH6.8) and simulated body fluids (pH7.2). The preferential release of mesalamine at intestinal pH suggests that the modified silica could be a simple, efficient, inexpensive and convenient carrier for colon targeted drugs, such a mesalamine and also as a controlled drug release system. Copyright © 2015 Elsevier B.V. All rights reserved.

Structures and mechanisms in clay nanopore trapping of structurally-different fluoroquinolone antimicrobials.

PubMed

Okaikue-Woodi, Fanny E K; Kelch, Sabrina E; Schmidt, Michael P; Enid Martinez, Carmen; Youngman, Randall E; Aristilde, Ludmilla

2018-03-01

Smectite clay nanoparticles are implicated in the retention of antimicrobials within soils and sediments; these clays are also inspected as drug carriers in physiological systems. Cation exchange is considered the primary adsorption mechanism of antimicrobials within smectite nanopores. However, a dual role of acid-base chemistry and adsorptive structures is speculated by recent studies. Using the prototypical smectite clay montmorillonite, we employed a combination of X-ray diffraction (XRD), nuclear magnetic resonance, attenuated total reflectance-Fourier transform infrared spectroscopy, and molecular dynamics simulations to investigate the interlayer nanopore trapping of two structurally-different fluoroquinolone (FQ) antimicrobials with similar acid-base chemistry: ciprofloxacin (a first-generation FQ) and moxifloxacin (a third-generation FQ). Greater sorption at pH 5.0 than at pH 7.0 for both FQs was consistent with cation-exchange of positively-charged species. However, the clay exhibited a near twofold higher sorption capacity for moxifloxacin than for ciprofloxacin. This difference was shown by the XRD data to be accompanied by enhanced trapping of moxifloxacin within the clay interlayers. Using the XRD-determined nanopore sizes, we performed molecular dynamics simulations of thermodynamically-favorable model adsorbates, which revealed that ciprofloxacin was adsorbed parallel to the clay surface but moxifloxacin adopted a tilted conformation across the nanopore. These conformations resulted in more slowly-exchanged than quickly-exchanged Na complexes with ciprofloxacin compared with moxifloxacin. These different Na populations were also captured by 23 Na nuclear magnetic resonance. Furthermore, the simulated adsorbates uncovered different complexation interactions that were corroborated by infrared spectroscopy. Therefore, beyond acid-base chemistry, our findings imply that distinct adsorbate structures control antimicrobial trapping within clay nanopores, which can promote persistence in environmental matrices and stable delivery in biological systems. Copyright © 2017 Elsevier Inc. All rights reserved.

Magnet Design Considerations for Fusion Nuclear Science Facility

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhai, Y.; Kessel, C.; El-Guebaly, L.

2016-06-01

The Fusion Nuclear Science Facility (FNSF) is a nuclear confinement facility that provides a fusion environment with components of the reactor integrated together to bridge the technical gaps of burning plasma and nuclear science between the International Thermonuclear Experimental Reactor (ITER) and the demonstration power plant (DEMO). Compared with ITER, the FNSF is smaller in size but generates much higher magnetic field, i.e., 30 times higher neutron fluence with three orders of magnitude longer plasma operation at higher operating temperatures for structures surrounding the plasma. Input parameters to the magnet design from system code analysis include magnetic field of 7.5more » T at the plasma center with a plasma major radius of 4.8 m and a minor radius of 1.2 m and a peak field of 15.5 T on the toroidal field (TF) coils for the FNSF. Both low-temperature superconductors (LTS) and high-temperature superconductors (HTS) are considered for the FNSF magnet design based on the state-of-the-art fusion magnet technology. The higher magnetic field can be achieved by using the high-performance ternary restacked-rod process Nb3Sn strands for TF magnets. The circular cable-in-conduit conductor (CICC) design similar to ITER magnets and a high-aspect-ratio rectangular CICC design are evaluated for FNSF magnets, but low-activation-jacket materials may need to be selected. The conductor design concept and TF coil winding pack composition and dimension based on the horizontal maintenance schemes are discussed. Neutron radiation limits for the LTS and HTS superconductors and electrical insulation materials are also reviewed based on the available materials previously tested. The material radiation limits for FNSF magnets are defined as part of the conceptual design studies for FNSF magnets.« less

Magnet design considerations for Fusion Nuclear Science Facility

DOE PAGES

Zhai, Yuhu; Kessel, Chuck; El-guebaly, Laila; ...

2016-02-25

The Fusion Nuclear Science Facility (FNSF) is a nuclear confinement facility to provide a fusion environment with components of the reactor integrated together to bridge the technical gaps of burning plasma and nuclear science between ITER and the demonstration power plant (DEMO). Compared to ITER, the FNSF is smaller in size but generates much higher magnetic field, 30 times higher neutron fluence with 3 orders of magnitude longer plasma operation at higher operating temperatures for structures surrounding the plasma. Input parameters to the magnet design from system code analysis include magnetic field of 7.5 T at the plasma center withmore » plasma major radius of 4.8 m and minor radius of 1.2 m, and a peak field of 15.5 T on the TF coils for FNSF. Both low temperature superconductor (LTS) and high temperature superconductor (HTS) are considered for the FNSF magnet design based on the state-of-the-art fusion magnet technology. The higher magnetic field can be achieved by using the high performance ternary Restack Rod Process (RRP) Nb3Sn strands for toroidal field (TF) magnets. The circular cable-in-conduit conductor (CICC) design similar to ITER magnets and a high aspect ratio rectangular CICC design are evaluated for FNSF magnets but low activation jacket materials may need to be selected. The conductor design concept and TF coil winding pack composition and dimension based on the horizontal maintenance schemes are discussed. Neutron radiation limits for the LTS and HTS superconductors and electrical insulation materials are also reviewed based on the available materials previously tested. As a result, the material radiation limits for FNSF magnets are defined as part of the conceptual design studies for FNSF magnets.« less

Measurement of untruncated nuclear spin interactions via zero- to ultralow-field nuclear magnetic resonance

NASA Astrophysics Data System (ADS)

Blanchard, J. W.; Sjolander, T. F.; King, J. P.; Ledbetter, M. P.; Levine, E. H.; Bajaj, V. S.; Budker, D.; Pines, A.

2015-12-01

Zero- to ultralow-field nuclear magnetic resonance (ZULF NMR) provides a new regime for the measurement of nuclear spin-spin interactions free from the effects of large magnetic fields, such as truncation of terms that do not commute with the Zeeman Hamiltonian. One such interaction, the magnetic dipole-dipole coupling, is a valuable source of spatial information in NMR, though many terms are unobservable in high-field NMR, and the coupling averages to zero under isotropic molecular tumbling. Under partial alignment, this information is retained in the form of so-called residual dipolar couplings. We report zero- to ultralow-field NMR measurements of residual dipolar couplings in acetonitrile-2-13C aligned in stretched polyvinyl acetate gels. This permits the investigation of dipolar couplings as a perturbation on the indirect spin-spin J coupling in the absence of an applied magnetic field. As a consequence of working at zero magnetic field, we observe terms of the dipole-dipole coupling Hamiltonian that are invisible in conventional high-field NMR. This technique expands the capabilities of zero- to ultralow-field NMR and has potential applications in precision measurement of subtle physical interactions, chemical analysis, and characterization of local mesoscale structure in materials.

Magnetic moment distribution modeling in non stoichiometric Ni-Mn-Ga ferromagnetic shape memory alloys

NASA Astrophysics Data System (ADS)

Lázpita, P.; Gutiérrez, J.; Barandiarán, J. M.; Chernenko, V. A.; Mondelli, C.; Chapon, L.

2014-11-01

Neutron polarized diffraction technique has been used to elucidate the magnetic moment distribution density in non stoichiometric Ni—Mn—Ga single crystals. These experiments allow us to determine a localized magnetic moment in the Mn position in the austenitic phase, and to validity qualitatively previous models of magnetic distributions where there are antiferromagnetic and ferromagnetic coupling for Mn atoms that are sited out of their properly positions. This measurements show the deep dependence of the magnetic moment with the composition and the atomic order.

Electrical conductivity, differential scanning calorimetry, X-ray diffraction, and 7Li nuclear magnetic resonance studies of n-C x H(2 x+1)OSO3Li ( x = 12, 14, 16, 18, and 20)

NASA Astrophysics Data System (ADS)

Hirakawa, Satoru; Morimoto, Yoshiaki; Honda, Hisashi

2015-04-01

Electrical conductivity ( σ), differential scanning calorimetry (DSC), and X-ray diffraction (XRD) measurements of n-C x H (2 x+1) OSO 3Li ( x= 12, 14, 16, 18, and 20) crystals were performed as a function of temperature. In addition, σ, DSC, and XRD observations of n-C x H (2 x+1) OSO 3Na and n-C x H (2 x+1) OSO 3K ( x= 12, 14, 16, 18, and 20) crystals were carried out for comparison. DSC results of the salts revealed several solid-solid phase transitions with large entropy changes (Δ S). For n-C 18 H 37 OSO 3Li and n-C 20 H 41 OSO 3Li salts, each melting point produced a small Δ S mp value compared with the total entropy change in the solid phases (Δ S tr1+Δ S tr2). Additionally, Li + ion diffusion was detected in the highest temperature solid phases. For K salts, larger σ values were detected for potassium alkylsulfates compared with those reported for alkyl carboxylate. 7Li NMR spectra of n-C 18 H 37 OSO 3Li crystals recorded in the low-temperature phase showed large asymmetry parameters, suggesting the Li + ions are localized at asymmetric sites in the crystals.

Synthesis and structure of a new layered oxyfluoride Sr{sub 2}ScO{sub 3}F with photocatalytic property

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Yongkun; Tang, Kaibin, E-mail: kbtang@ustc.edu.cn; Zhu, Baichuan

2015-05-15

Highlights: • A new oxyfluoride compound Sr{sub 2}ScO{sub 3}F was prepared by a solid state route. • The structure of this compound was determined by GSAS program based on XRD data. • The photocatalytic property was investigated under UV irradiation. - Abstract: A new Ruddlesden–Popper type scandium oxyfluoride, Sr{sub 2}ScO{sub 3}F, was synthesized by a conventional solid state reaction route. The detailed structure of Sr{sub 2}ScO{sub 3}F was investigated using X-ray diffraction (XRD) and selected area electron diffraction (SAED). The disorder distribution pattern of fluorine anions was determined by the {sup 19}F nuclear magnetic resonance (NMR) spectrum. The compound crystallizesmore » in a K{sub 2}NiF{sub 4}-type tetragonal structure (space group I4/mmm) with O/F anions disordered over the apical sites of the perovskite-type Sc(O,F){sub 6} octahedron layers interleaved with strontium cations. Ultraviolet–visible (UV–vis) diffuse reflection spectrum of the prepared Sr{sub 2}ScO{sub 3}F indicates that it has an absorption in the UV–vis region. The photocatalytic activity of Sr{sub 2}ScO{sub 3}F was further investigated, showing an effective photodegradation of Rhodamine-B (RB) within 2 h under UV light irradiation.« less

Preparation and Structural Properties of InIII–H Complexes

PubMed Central

Sickerman, Nathaniel S.; Henry, Renée M.; Ziller, Joseph W.

2013-01-01

The use of the tripodal ligands tris[(N'-tert-butylureaylato)-N-ethyl]aminato ([H3buea]3−) and the sulfonamide-based N,N',N"-[2,2',2"-nitrilotris(ethane-2,1-diyl)]tris(2,4,6-trimethylbenzene-sulfonamidato) ([MST]3−) has led to the synthesis of two structurally distinct In(III)–OH complexes. The first example of a five-coordinate indium(III) complex with a terminal hydroxide ligand, K[InIIIH3buea(OH)], was prepared by addition of In(OAc)3 and water to a deprotonated solution of H6buea. X-ray diffraction analysis, as well as FTIR and 1H NMR spectroscopic methods, provided evidence for the formation of a monomeric In(III)–OH complex. The complex contains an intramolecular hydrogen bonding (H-bonding) network involving the In(III)–OH unit and [H3buea]3− ligand, which aided in isolation of the complex. Isotope labeling studies verified the source of the hydroxo ligand as water. Treatment of the [InIIIMST] complex with a mixture of 15-crown-5 ether and NaOH led to isolation of the complex [15-crown-5⊃NaI-(μ-OH)-InIIIMST], whose solid-state structure was confirmed using X-ray diffraction methods. Nuclear magnetic resonance studies on this complex suggest it retains its heterobimetallic structure in solution. PMID:25309019

Diffractive imaging of a rotational wavepacket in nitrogen molecules with femtosecond megaelectronvolt electron pulses

DOE PAGES

Yang, Jie; Guehr, Markus; Vecchione, Theodore; ...

2016-04-05

Imaging changes in molecular geometries on their natural femtosecond timescale with sub-Angström spatial precision is one of the critical challenges in the chemical sciences, as the nuclear geometry changes determine the molecular reactivity. For photoexcited molecules, the nuclear dynamics determine the photoenergy conversion path and efficiency. Here we report a gas-phase electron diffraction experiment using megaelectronvolt (MeV) electrons, where we captured the rotational wavepacket dynamics of nonadiabatically laser-aligned nitrogen molecules. We achieved a combination of 100 fs root-mean-squared temporal resolution and sub-Angstrom (0.76 Å) spatial resolution that makes it possible to resolve the position of the nuclei within the molecule.more » In addition, the diffraction patterns reveal the angular distribution of the molecules, which changes from prolate (aligned) to oblate (anti-aligned) in 300 fs. Lastly, our results demonstrate a significant and promising step towards making atomically resolved movies of molecular reactions.« less

Infrastructure development for radioactive materials at the NSLS-II

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sprouster, D. J.; Weidner, R.; Ghose, S. K.

2018-02-01

The X-ray Powder Diffraction (XPD) Beamline at the National Synchrotron Light Source-II is a multipurpose instrument designed for high-resolution, high-energy X-ray scattering techniques. In this article, the capabilities, opportunities and recent developments in the characterization of radioactive materials at XPD are described. The overarching goal of this work is to provide researchers access to advanced synchrotron techniques suited to the structural characterization of materials for advanced nuclear energy systems. XPD is a new beamline providing high photon flux for X-ray Diffraction, Pair Distribution Function analysis and Small Angle X-ray Scattering. The infrastructure and software described here extend the existing capabilitiesmore » at XPD to accommodate radioactive materials. Such techniques will contribute crucial information to the characterization and quantification of advanced materials for nuclear energy applications. We describe the automated radioactive sample collection capabilities and recent X-ray Diffraction and Small Angle X-ray Scattering results from neutron irradiated reactor pressure vessel steels and oxide dispersion strengthened steels.« less

Infrastructure development for radioactive materials at the NSLS-II

DOE PAGES

Sprouster, David J.; Weidner, R.; Ghose, S. K.; ...

2017-11-04

The X-ray Powder Diffraction (XPD) Beamline at the National Synchrotron Light Source-II is a multipurpose instrument designed for high-resolution, high-energy X-ray scattering techniques. In this paper, the capabilities, opportunities and recent developments in the characterization of radioactive materials at XPD are described. The overarching goal of this work is to provide researchers access to advanced synchrotron techniques suited to the structural characterization of materials for advanced nuclear energy systems. XPD is a new beamline providing high photon flux for X-ray Diffraction, Pair Distribution Function analysis and Small Angle X-ray Scattering. The infrastructure and software described here extend the existing capabilitiesmore » at XPD to accommodate radioactive materials. Such techniques will contribute crucial information to the characterization and quantification of advanced materials for nuclear energy applications. Finally, we describe the automated radioactive sample collection capabilities and recent X-ray Diffraction and Small Angle X-ray Scattering results from neutron irradiated reactor pressure vessel steels and oxide dispersion strengthened steels.« less

High-energy-resolution monochromator for nuclear resonant scattering of synchrotron radiation by Te-125 at 35.49 keV

NASA Astrophysics Data System (ADS)

Imai, Yasuhiko; Yoda, Yoshitaka; Kitao, Shinji; Masuda, Ryo; Higashitaniguchi, Satoshi; Inaba, Chika; Seto, Makoto

2007-09-01

We have developed a high-resolution monochromator (HRM) for the measurement of nuclear resonant scattering (NRS) of synchrotron radiation by Te-125 at 35.49 keV using the backscattering of sapphire (9 1 -10 68). HRMs for nuclei with excitation energies less than 30 keV have been successfully developed using high angle diffractions by silicon crystals. Nearly perfect silicon crystal, however, is not suitable for high efficient HRMs at higher energy regions because the symmetry of the crystal structure is high and the Debye-temperature is low. Therefore, we used high quality synthetic sapphire crystal, which has low symmetry of crystal structure and high Debye-temperature. The temperature of the crystal was precisely controlled around 218 K to diffract synchrotron radiation with a Bragg angle of π/2 - 0.52 mrad. Energy was tuned by changing the crystal temperature under the condition of constant diffraction angle. Energy resolution was measured by detecting nuclear forward scattering by Te-125 in enriched TeO II. The relative energy resolution of 2.1×10 -7 is achieved, that is 7.5 meV in energy bandwidth. This HRM opens studies on element-specific dynamics and electronic state of substances containing Te-125.

Stabilization of the electron-nuclear spin orientation in quantum dots by the nuclear quadrupole interaction.

PubMed

Dzhioev, R I; Korenev, V L

2007-07-20

The nuclear quadrupole interaction eliminates the restrictions imposed by hyperfine interaction on the spin coherence of an electron and nuclei in a quantum dot. The strain-induced nuclear quadrupole interaction suppresses the nuclear spin flip and makes possible the zero-field dynamic nuclear polarization in self-organized InP/InGaP quantum dots. The direction of the effective nuclear magnetic field is fixed in space, thus quenching the magnetic depolarization of the electron spin in the quantum dot. The quadrupole interaction suppresses the zero-field electron spin decoherence also for the case of nonpolarized nuclei. These results provide a new vision of the role of the nuclear quadrupole interaction in nanostructures: it elongates the spin memory of the electron-nuclear system.

Stabilization of the Electron-Nuclear Spin Orientation in Quantum Dots by the Nuclear Quadrupole Interaction

NASA Astrophysics Data System (ADS)

Dzhioev, R. I.; Korenev, V. L.

2007-07-01

The nuclear quadrupole interaction eliminates the restrictions imposed by hyperfine interaction on the spin coherence of an electron and nuclei in a quantum dot. The strain-induced nuclear quadrupole interaction suppresses the nuclear spin flip and makes possible the zero-field dynamic nuclear polarization in self-organized InP/InGaP quantum dots. The direction of the effective nuclear magnetic field is fixed in space, thus quenching the magnetic depolarization of the electron spin in the quantum dot. The quadrupole interaction suppresses the zero-field electron spin decoherence also for the case of nonpolarized nuclei. These results provide a new vision of the role of the nuclear quadrupole interaction in nanostructures: it elongates the spin memory of the electron-nuclear system.

Structural and magnetic phase transitions in Cs2[FeCl5(H2O)].

PubMed

Fröhlich, Tobias; Stein, Jonas; Bohatý, Ladislav; Becker, Petra; Gukasov, Arsen; Braden, Markus

2018-06-05

The compound [Formula: see text] is magnetoelectric but not multiferroic with an erythrosiderite-related structure. We present a comprehensive investigation of its structural and antiferromagnetic phase transitions by polarization microscopy, pyroelectric measurements, x-ray diffraction and neutron diffraction. At about [Formula: see text] K, the compound changes its symmetry from Cmcm to I2/c, with a doubling of the original c-axis. This transformation is associated with rotations of the [Formula: see text] octahedra and corresponds to an ordering of the [Formula: see text] molecules and of the related [Formula: see text] bonds. A significant ferroelectric polarization can be excluded for this transition by precise pyrocurrent measurements. The antiferromagnetic phase transition occurring at [Formula: see text] results in the magnetic space group [Formula: see text], which perfectly agrees with previous measurements of the linear magnetoelectric effect and magnetization.

Pronounced pre-martensitic anomaly in the magnetization on Ni2MnGa thin films

NASA Astrophysics Data System (ADS)

Neckel, I. T.; Müller, C.; Nobrega, K. Z.; Dartora, C. A.; Schreiner, W. H.; Mosca, D. H.

2018-05-01

We have prepared [110]-textured Ni2MnGa thin films exhibiting an unusual pre-martensitic transition accompanied by an extremely large magnetization change. The thin films were grown by molecular beam epitaxy directly on epi-ready GaAs(111)B. Crystalline structure was investigated in situ by reflection high-energy electron diffraction (RHEED) and ex situ by x-ray diffraction (XRD) and transmission electron microscopy (TEM). The results show that the film exhibits cubic crystalline structure (L2 1) at room temperature with lattice parameter a = 5.88 Å which undergoes martensitic transition. Magnetic characterization shows ferromagnetic behavior at room temperature with Curie temperature higher than room temperature. Martensitic transformation occurs at TM ∼ 185 K. A phenomenological model based on Landau theory of phase transformation was developed to explain the anomalous pre-martensitic transition at ∼285 K.

Synthesis and characterization of Ca-doped LaMnAsO

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Yong; Straszheim, Warren E.; Das, Pinaki

Here, we report on our attempt to hole-dope the antiferromagnetic semiconductor LaMnAsO by substitution of the La 3+ site by Ca 2+. We use neutron and x-ray diffraction, magnetic susceptibility, and transport techniques to characterize polycrystalline (La 1–xCa x)MnAsO samples prepared by solid-state reaction and find that the parent compound is highly resistant to substitution with an upper limit x ≤ 0.01. Magnetic susceptibility of the parent and the x = 0.002(x nom = 0.04) compounds indicate a negligible presence of magnetic impurities (i.e., MnO or MnAs). Rietveld analysis of neutron and x-ray diffraction data shows the preservation of bothmore » the tetragonal (P4/nmm) structure upon doping and the antiferromagnetic ordering temperature, T N = 355 ± 5 K.« less

Magnetic anisotropy in the Kitaev model systems Na2IrO3 and RuCl3

NASA Astrophysics Data System (ADS)

Chaloupka, Jiří; Khaliullin, Giniyat

2016-08-01

We study the ordered moment direction in the extended Kitaev-Heisenberg model relevant to honeycomb lattice magnets with strong spin-orbit coupling. We utilize numerical diagonalization and analyze the exact cluster ground states using a particular set of spin-coherent states, obtaining thereby quantum corrections to the magnetic anisotropy beyond conventional perturbative methods. It is found that the quantum fluctuations strongly modify the moment direction obtained at a classical level and are thus crucial for a precise quantification of the interactions. The results show that the moment direction is a sensitive probe of the model parameters in real materials. Focusing on the experimentally relevant zigzag phases of the model, we analyze the currently available neutron-diffraction and resonant x-ray-diffraction data on Na2IrO3 and RuCl3 and discuss the parameter regimes plausible in these Kitaev-Heisenberg model systems.

Spatial Distortion of Vibration Modes via Magnetic Correlation of Impurities

NASA Astrophysics Data System (ADS)

Krasniqi, F. S.; Zhong, Y.; Epp, S. W.; Foucar, L.; Trigo, M.; Chen, J.; Reis, D. A.; Wang, H. L.; Zhao, J. H.; Lemke, H. T.; Zhu, D.; Chollet, M.; Fritz, D. M.; Hartmann, R.; Englert, L.; Strüder, L.; Schlichting, I.; Ullrich, J.

2018-03-01

Long wavelength vibrational modes in the ferromagnetic semiconductor Ga0.91 Mn0.09 As are investigated using time resolved x-ray diffraction. At room temperature, we measure oscillations in the x-ray diffraction intensity corresponding to coherent vibrational modes with well-defined wavelengths. When the correlation of magnetic impurities sets in, we observe the transition of the lattice into a disordered state that does not support coherent modes at large wavelengths. Our measurements point toward a magnetically induced broadening of long wavelength vibrational modes in momentum space and their quasilocalization in the real space. More specifically, long wavelength vibrational modes cannot be assigned to a single wavelength but rather should be represented as a superposition of plane waves with different wavelengths. Our findings have strong implications for the phonon-related processes, especially carrier-phonon and phonon-phonon scattering, which govern the electrical conductivity and thermal management of semiconductor-based devices.

Synthesis and characterization of Ca-doped LaMnAsO

DOE PAGES

Liu, Yong; Straszheim, Warren E.; Das, Pinaki; ...

2018-05-18

Here, we report on our attempt to hole-dope the antiferromagnetic semiconductor LaMnAsO by substitution of the La 3+ site by Ca 2+. We use neutron and x-ray diffraction, magnetic susceptibility, and transport techniques to characterize polycrystalline (La 1–xCa x)MnAsO samples prepared by solid-state reaction and find that the parent compound is highly resistant to substitution with an upper limit x ≤ 0.01. Magnetic susceptibility of the parent and the x = 0.002(x nom = 0.04) compounds indicate a negligible presence of magnetic impurities (i.e., MnO or MnAs). Rietveld analysis of neutron and x-ray diffraction data shows the preservation of bothmore » the tetragonal (P4/nmm) structure upon doping and the antiferromagnetic ordering temperature, T N = 355 ± 5 K.« less

Successive field-induced transitions in BiFeO 3 around room temperature

DOE PAGES

Kawachi, Shiro; Miyake, Atsushi; Ito, Toshimitsu; ...

2017-07-21

The effects of high magnetic fields applied perpendicular to the spontaneous ferroelectric polarization on single crystals of BiFeO 3 were investigated in this paper through magnetization, magnetostriction, and neutron diffraction measurements. The magnetostriction measurements revealed lattice distortion of 2 x 10 -5 during the reorientation process of the cycloidal spin order by applied magnetic fields. Furthermore, anomalous changes in magnetostriction and electric polarization at a larger field demonstrate an intermediate phase between cycloidal and canted antiferromagnetic states, where a large magnetoelectric effect was observed. Neutron diffraction measurements clarified that incommensurate spin modulation along the [110] hex direction in the cycloidalmore » phase becomes Q = 0 commensurate along this direction in the intermediate phase. Finally, theoretical calculations based on the standard spin Hamiltonian of this material suggest an antiferromagnetic cone-type spin order in the intermediate phase.« less

NMR clinical imaging and spectroscopy: Its impact on nuclear medicine

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1990-02-02

This is a collection of four papers describing aspects of past and future use of nuclear magnetic resonance as a clinical diagnostic tool. The four papers are entitled (1) What Does NMR Offer that Nuclear Medicine Does Not by Jerry W. Froelich, (2) Oncological Imaging: Now, Future and Impact Jerry W. Froelich, (3) Magnetic Resonance Spectroscopy/Spectroscopic Imaging and Nuclear Medicine: Past, Present and Future by H. Cecil Charles, and (4) MR Cardiology: Now, Future and Impact by Robert J. Herfkens.

NMR clinical imaging and spectroscopy: Its impact on nuclear medicine

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1990-02-02

This is a collection of four papers describing aspects of past and future use of nuclear magnetic resonance as a clinical diagnostic tool. The four papers are entitled (1) What Does NMR Offer that Nuclear Medicine Does Not? by Jerry W. Froelich, (2) Oncological Imaging: Now, Future and Impact Jerry W. Froelich, (3) Magnetic Resonance Spectroscopy/Spectroscopic Imaging and Nuclear Medicine: Past, Present and Future by H. Cecil Charles, and (4) MR Cardiology: Now, Future and Impact by Robert J. Herfkens.

The tunable optical magneto-electric effect in patterned manganese oxide superlattices

NASA Astrophysics Data System (ADS)

Pei, H. Y.; Zhang, Y. J.; Guo, S. J.; Ren, L. X.; Yan, H.; Chen, C. L.; Jin, K. X.; Luo, B. C.

2018-05-01

The optical magneto-electric (OME) effect has been widely investigated in magnetic materials, but obtaining the large and tunable OME effect is an ongoing challenge. We here design a tri-color superlattice composed of manganese oxides, Pr0.9Ca0.1MnO3, La0.9Sr0.1MnO3, and La0.9Sb0.1MnO3, where the space-inversion and time-reversal symmetries are broken. With the aid of the grating structure, the OME effect for near-infrared light in tri-color superlattices is investigated systematically through the Bragg diffraction method. The relative change of diffracted light intensity of the order n = ±1 has a strong dependence on the magnetization and polarization of the tri-color superlattice, whether the superlattice is irradiated in reflection or transmission geometries. Otherwise, the relative change of diffracted light intensity increases with the increase in the superlattice period and with the decrease in the grating period. The maximum relative change of diffracted light intensity in tri-color superlattices with the grating structure patterned is as large as 8.27%. These results pave the way for designing next-generation OME devices based on manganese oxides.

Meta-stable magnetic transitions and its field dependence in Co2.75Fe0.25O4 ferrite

NASA Astrophysics Data System (ADS)

Aswathi M., C.; Bhowmik, R. N.

2018-04-01

The Co2.75Fe0.25O4 ferrite has been prepared by chemical co-precipitation route. The as-prepared sample has been annealed at 500° C. X-ray diffraction pattern indicated cubic spinel structure in the sample. The sample showed ferrimagnetic nature with magnetic irreversibility and hysteresis loop. Magnetization data revealed high anisotropic nature and at least two prominent meta-stable magnetic transitions below the highest measurement temperature 350 K.

Magnetic x-ray scattering studies of holmium using synchro- tron radiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gibbs, D.; Moncton, D.E.; D'Amico, K.L.

1985-07-08

We present the results of magnetic x-ray scattering experiments on the rare-earth metal holmium using synchrotron radiation. Direct high-resolution measurements of the nominally incommensurate magnetic satellite reflections reveal new lock-in behavior which we explain within a simple spin-discommensuration model. As a result of magnetoelastic coupling, the spin-discommensuration array produces additional x-ray diffraction satellites. Their observation further substantiates the model and demonstrates additional advantages of synchrotron radiation for magnetic-structure studies.

Magnetic anisotropy and order parameter in nanostructured CoPt particles

NASA Astrophysics Data System (ADS)

Komogortsev, S. V.; Iskhakov, R. S.; Zimin, A. A.; Filatov, E. Yu.; Korenev, S. V.; Shubin, Yu. V.; Chizhik, N. A.; Yurkin, G. Yu.; Eremin, E. V.

2013-10-01

The correlation of magnetic anisotropy energy with order parameter in the crystallites of CoPt nanostructured particles prepared by thermal decomposition and further annealing has been studied by investigation of the approach magnetization to saturation curves and x-ray powder diffraction pattern profiles. It is shown that magnetic anisotropy energy value in partially ordered CoPt crystallite could be described as an intermediate case between two extremes, corresponding to either single or several c-domains of L10 phase in crystallite.

Chiral discrimination in NMR spectroscopy: computation of the relevant molecular pseudoscalars

NASA Astrophysics Data System (ADS)

Buckingham, A. David; Lazzeretti, Paolo; Pelloni, Stefano

2015-07-01

Nuclear magnetic resonance (NMR) is normally blind to chirality but it has been predicted that precessing nuclear spins in a strong magnetic field induce a rotating electric polarisation that is of opposite sign for enantiomers. The polarisation is determined by two pseudoscalars, ? and ?. The former arises from the distortion of the electronic structure by the nuclear magnetic moment in the presence of the strong magnetic field and is equivalent to the linear effect of an electric field on the nuclear shielding tensor. ? determines the temperature-dependent partial orientation of the permanent electric dipole moment of the molecule by the antisymmetric part of the nuclear shielding tensor. Computations of these two contributions are reported for the nuclei in the chiral molecules N-methyloxaziridine, 2-methyloxirane, 1,3-dimethylallene, 1-fluoroethanol, 2-fluoroazirine, 1,2-M-dioxin, 1,2-M-dithiin, 1,2-M-diselenin and 1,2-M-ditellurin. For strongly dipolar molecules, ? is typically two to three orders of magnitude greater than ?, raising hopes for the detection of chirality in NMR spectroscopy. This paper is dedicated to the memory of Prof. Nicholas Handy, F.R.S.

Robust techniques for polarization and detection of nuclear spin ensembles

NASA Astrophysics Data System (ADS)

Scheuer, Jochen; Schwartz, Ilai; Müller, Samuel; Chen, Qiong; Dhand, Ish; Plenio, Martin B.; Naydenov, Boris; Jelezko, Fedor

2017-11-01

Highly sensitive nuclear spin detection is crucial in many scientific areas including nuclear magnetic resonance spectroscopy, magnetic resonance imaging (MRI), and quantum computing. The tiny thermal nuclear spin polarization represents a major obstacle towards this goal which may be overcome by dynamic nuclear spin polarization (DNP) methods. The latter often rely on the transfer of the thermally polarized electron spins to nearby nuclear spins, which is limited by the Boltzmann distribution of the former. Here we utilize microwave dressed states to transfer the high (>92 % ) nonequilibrium electron spin polarization of a single nitrogen-vacancy center (NV) induced by short laser pulses to the surrounding 13C carbon nuclear spins. The NV is repeatedly repolarized optically, thus providing an effectively infinite polarization reservoir. A saturation of the polarization of the nearby nuclear spins is achieved, which is confirmed by the decay of the polarization transfer signal and shows an excellent agreement with theoretical simulations. Hereby we introduce the polarization readout by polarization inversion method as a quantitative magnetization measure of the nuclear spin bath, which allows us to observe by ensemble averaging macroscopically hidden polarization dynamics like Landau-Zener-Stückelberg oscillations. Moreover, we show that using the integrated solid effect both for single- and double-quantum transitions nuclear spin polarization can be achieved even when the static magnetic field is not aligned along the NV's crystal axis. This opens a path for the application of our DNP technique to spins in and outside of nanodiamonds, enabling their application as MRI tracers. Furthermore, the methods reported here can be applied to other solid state systems where a central electron spin is coupled to a nuclear spin bath, e.g., phosphor donors in silicon and color centers in silicon carbide.

Long-time variation in magnetic structure of CeIr 3Si 2: Observation of a nucleation-and-growth process of magnetic domains

DOE PAGES

Motoya, Kiyoichiro; Hagihala, Masato; Takabatake, Toshiro; ...

2016-02-29

CeIr 3Si 2 is the first three-dimensional uniform magnet in which the long-time variation in magnetic structure was observed. To clarify the microscopic mechanism of this magnetic structural change, time-resolved neutron scattering measurements have been reinvestigated. Clear time variations in the line widths as well as the amplitudes of magnetic Bragg diffractions have been observed in this improved instrumentation. On the notion of this observation, a nucleation-and-growth model of magnetic structural change has been presented. The numerical calculation with this model reproduces well the observation.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ritter, C.; Provino, A.; Manfrinetti, P.

In this study, the magnetic properties and magnetic structures of the R 5Ni 2In 4 and the microfibrous R 11Ni 4In 9 compounds with R = Tb and Ho have been examined using magnetization, heat capacity, and neutron diffraction data. Rare earth atoms occupy three and five symmetrically inequivalent rare earth sites in R 5Ni 2In 4 and R 11Ni 4In 9 compounds, respectively. As a result of the intra- and inter-magnetic sublattice interactions, the magnetic exchange interactions are different for various rare earth sites; this leads to a cascade of magnetic transitions with a strong hierarchy in the temperaturemore » dependence of the magnetic orderings.« less

Long-time variation in magnetic structure of CeIr 3Si 2: Observation of a nucleation-and-growth process of magnetic domains

DOE Office of Scientific and Technical Information (OSTI.GOV)

Motoya, Kiyoichiro; Hagihala, Masato; Takabatake, Toshiro

CeIr 3Si 2 is the first three-dimensional uniform magnet in which the long-time variation in magnetic structure was observed. To clarify the microscopic mechanism of this magnetic structural change, time-resolved neutron scattering measurements have been reinvestigated. Clear time variations in the line widths as well as the amplitudes of magnetic Bragg diffractions have been observed in this improved instrumentation. On the notion of this observation, a nucleation-and-growth model of magnetic structural change has been presented. The numerical calculation with this model reproduces well the observation.

Nuclear magnetic shielding in boronlike ions

NASA Astrophysics Data System (ADS)

Volchkova, A. M.; Varentsova, A. S.; Zubova, N. A.; Agababaev, V. A.; Glazov, D. A.; Volotka, A. V.; Shabaev, V. M.; Plunien, G.

2017-10-01

The relativistic treatment of the nuclear magnetic shielding effect in boronlike ions is presented. The leading-order contribution of the magnetic-dipole hyperfine interaction is calculated. Along with the standard second-order perturbation theory expression, the solutions of the Dirac equation in the presence of magnetic field are employed. All methods are found to be in agreement with each other and with the previous calculations for hydrogenlike and lithiumlike ions. The effective screening potential is used to account approximately for the interelectronic interaction.

Nuclear magnetic resonance data of C36H30Br2OSb2

NASA Astrophysics Data System (ADS)

Mikhova, B. M.

This document is part of Part 6 `Organic Metalloid Compounds' of Subvolume D 'Chemical Shifts and Coupling Constants for Carbon-13' of Landolt-Börnstein III/35 'Nuclear Magnetic Resonance Data', Group III 'Condensed Matter'.

Nuclear magnetic resonance data of C36H30Cl2OSb2

NASA Astrophysics Data System (ADS)

Mikhova, B. M.

This document is part of Part 6 `Organic Metalloid Compounds' of Subvolume D 'Chemical Shifts and Coupling Constants for Carbon-13' of Landolt-Börnstein III/35 'Nuclear Magnetic Resonance Data', Group III 'Condensed Matter'.

High-pressure studies on Ba-doped cobalt perovskites by neutron diffraction

NASA Astrophysics Data System (ADS)

Cao, Huibo; Garlea, Vasile; Wang, Fangwei; Dos Santos, Antonio; Cheng, Zhaohua

2012-02-01

Cobalt perovskite possess rich structural, magnetic and electrical properties depending on the subtle balance of the interactions among the spin, charge, and orbital degrees of freedom. Divalent hole-doped cobalt perovskites LaA^2+CoO3 exhibit structural phase transitions, metal-insulator transitions, and multi-magnetic phase transitions. High-pressure measurement is believed to mimic the size effects of the doped ions. We performed neutron diffraction experiments on selected Ba-doped LaCoO3 under pressures up to 6.3 GPa at SNAP at Spallation Neutron Source of ORNL. This work focuses on the high-pressure effects of the selected Ba-doped samples and the change of the phase diagram with pressure.

Correlation of x-ray diffraction and Mössbauer effect measurements with magnetic properties of heat-treated Cu80Co15Fe5 ribbons

NASA Astrophysics Data System (ADS)

Harris, V. G.; Rubinstein, M.; Das, B. N.; Koon, N. C.

1994-05-01

X-ray diffraction (XRD) and Mössbauer Effect (ME) measurements were performed on heat-treated Cu80Co15Fe5 melt-spun ribbons in an attempt to understand the trends in magnetic properties with heat treatment. ME measurements indicate that the majority of Fe atoms (86%) occupy sites in ferromagnetic FCC CoFe clusters after the initial quench. A heat treatment at 900 °C acts to complete the chemical separation of Fe from the Cu matrix. The presence of Co in the Cu matrix, even after high temperature anneals, provides a paramagnetic component that prohibits saturation even at high fields.

Phase Concentration Determination of Fe 16N 2 Using State of the Art Neutron Scattering Techniques

DOE PAGES

Bennett, S. P.; Feygenson, M.; Jiang, Y.; ...

2016-03-25

Limitation on the availability of rare earth elements have made it imperative that new high energy product rare earth free permanent magnet materials are developed for the next generation of energy systems. One promising low cost permanent magnet candidate for a high energy magnet is -Fe 16N 2, whose giant magnetic moment has been predicted to be well above any other from conventional first principles calculations. Despite its great promise, the phase is metastable; making synthesis of the pure phase difficult, resulting in less than ideal magnetic characteristics. This instability gives way to a slew of possible secondary phases (i.e.more » -Fe, Fe 2O 3, Fe 8N, Fe 4N ) whose concentrations are difficult to detect by conventional x-ray diffraction. Moreover, we show how high resolution neutron diffraction and polarized neutron reflectometry can be used to extract the phase concentration ratio of the giant magnetic phase from ultra-small powder sample sizes (~0.1g) and thin films. These studies have led to the discovery of promising fabrication methods for both homogeneous thin films, and nanopowders containing the highest reported to date (>95%) phase concentrations of room temperature stable -Fe 16N 2.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

El-Gendy, AA; Bertino, M; Clifford, D

Attainment of magnetic order in nanoparticles at room temperature is an issue of critical importance for many different technologies. For ordinary ferromagnetic materials, a reduction in size leads to decreased magnetic anisotropy and results in superparamagnetic relaxations. If, instead, anisotropy could be enhanced at reduced particle sizes, then it would be possible to attain stable magnetic order at room temperature. Herein, we provide experimental evidence substantiating the synthesis of a cobalt iron carbide phase (CoFe2C) of nanoparticles. Structural characterization of the CoFe2C carbide phase was performed by transmission electron microscopy, electron diffraction and energy electron spectroscopy. X-ray diffraction was alsomore » performed as a complimentary analysis. Magnetic characterization of the carbide phase revealed a blocking temperature, TB, of 790K for particles with a domain size as small as 5 +/- 1 nm. The particles have magnetocrystalline anisotropy of 4.662 +/- 10 6 J/m(3), which is ten times larger than that of Co nanoparticles. Such colossal anisotropy leads to thermally stable long range magnetic order. Moreover, the thermal stability constant is much larger than that of the commonly used FePt nanoparticles. With thermal stability and colossal anisotropy, the CoFe2C nanoparticles have huge potential for enhanced magnetic data storage devices. (C) 2015 AIP Publishing LLC.« less

Synthesis of colloidal silver iron oxide nanoparticles--study of their optical and magnetic behavior.

PubMed

Kumar, Anil; Singhal, Aditi

2009-07-22

Silver iron oxide nanoparticles of fairly small size (average diameter approximately 1 nm) with narrow size distribution have been synthesized by the interaction of colloidal beta- Fe2O3 and silver nanoparticles. The surface morphology and size of these particles have been analyzed by using atomic force microscopy (AFM), field emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM). Their structural analysis has been carried out by employing x-ray diffraction (XRD), selected-area electron diffraction (SAED), optical and infrared (IR) spectroscopic techniques. The ageing of these particles exhibits the formation of self-assembly, possibly involving weak supramolecular interactions between Ag(I)O4 and Fe(III)O4 species. These particles display the onset of absorption in the near-infrared region and have higher absorption coefficient in the visible range compared to that of its precursors. Magnetic measurements reveal an interesting transition in their magnetic behavior from diamagnetic to superparamagnetic. The magnetic moment of these particles attains a limiting value of about 0.19 emu cm(-2), which is more than two times higher than that of colloidal beta- Fe2O3. With enhanced optical and magnetic properties, this system is suggested to have possible applications in optoelectronic and magnetic devices.

Magnetic ground state of the two isostructual polymeric quantum magnets [ Cu ( HF 2 ) ( pyrazine ) 2 ] SbF 6 and [ Co ( HF 2 ) ( pyrazine ) 2 ] SbF 6 investigated with neutron powder diffraction

DOE PAGES

Brambleby, J.; Goddard, P. A.; Johnson, R. D.; ...

2015-10-07

The magnetic ground state of two isostructural coordination polymers, (i) the quasi-two-dimensional S=1/2 square-lattice antiferromagnet [Cu(HF 2)(pyrazine) 2]SbF 6 and (ii) a related compound [Co(HF 2)(pyrazine)2]SbF6, was examined with neutron powder diffraction measurements. We find that the ordered moments of the Heisenberg S=1/2 Cu(II) ions in [Cu(HF 2)(pyrazine) 2]SbF 6 are 0.6(1)μ b, while the ordered moments for the Co(II) ions in [Co(HF 2)(pyrazine) 2]SbF 6 are 3.02(6)μ b. For Cu(II), this reduced moment indicates the presence of quantum fluctuations below the ordering temperature. We also show from heat capacity and electron spin resonance measurements that due to the crystalmore » electric field splitting of the S=3/2 Co(II) ions in [Co(HF 2)(pyrazine) 2]SbF 6, this isostructual polymer also behaves as an effective spin-half magnet at low temperatures. Furthermore, the Co moments in [Co(HF 2)(pyrazine) 2]SbF 6 show strong easy-axis anisotropy, neutron diffraction data, which do not support the presence of quantum fluctuations in the ground state, and heat capacity data, which are consistent with 2D or close to 3D spatial exchange anisotropy.« less

Magnetic field effects on ultrafast lattice compression dynamics of Si(111) crystal when excited by linearly-polarized femtosecond laser pulses

NASA Astrophysics Data System (ADS)

Hatanaka, Koji; Odaka, Hideho; Ono, Kimitoshi; Fukumura, Hiroshi

2007-03-01

Time-resolved X-ray diffraction measurements of Si (111) single crystal are performed when excited by linearly-polarized femtosecond laser pulses (780 nm, 260 fs, negatively-chirped, 1 kHz) under a magnetic field (0.47 T). Laser fluence on the sample surface is 40 mJ/cm^2, which is enough lower than the ablation threshold at 200 mJ/cm^2. Probing X-ray pulses of iron characteristic X-ray lines at 0.193604 and 0.193998 nm are generated by focusing femtosecond laser pulses onto audio-cassette tapes in air. Linearly-polarized femtosecond laser pulse irradiation onto Si(111) crystal surface induces transient lattice compression in the picosecond time range, which is confirmed by transient angle shift of X-ray diffraction to higher angles. Little difference of compression dynamics is observed when the laser polarization is changed from p to s-pol. without a magnetic field. On the other hand, under a magnetic field, the lattice compression dynamics changes when the laser is p-polarized which is vertical to the magnetic field vector. These results may be assigned to photo-carrier formation and energy-band distortion.

Influence of interstitial Mn on magnetism in the room-temperature ferromagnet Mn 1 + δ Sb

DOE PAGES

Taylor, Alice E.; Berlijn, Tom; Hahn, Steven E.; ...

2015-06-15

We repormore » t elastic and inelastic neutron scattering measurements of the high-TC ferromagnet Mn 1 + δ Sb . Measurements were performed on a large, T C = 434 K, single crystal with interstitial Mn content of δ ≈ 0.13. The neutron diffraction results reveal that the interstitial Mn has a magnetic moment, and that it is aligned antiparallel to the main Mn moment. We perform density functional theory calculations including the interstitial Mn, and find the interstitial to be magnetic in agreement with the diffraction data. The inelastic neutron scattering measurements reveal two features in the magnetic dynamics: i) a spin-wave-like dispersion emanating from ferromagnetic Bragg positions (H K 2n), and ii) a broad, non-dispersive signal centered at forbidden Bragg positions (H K 2n+1). The inelastic spectrum cannot be modeled by simple linear spin-wave theory calculations, and appears to be significantly altered by the presence of the interstitial Mn ions. Finally, the results show that the influence of the interstitial Mn on the magnetic state in this system is more important than previously understood.« less

Magnetic and interface properties of the core-shell Fe3O4/Au nanocomposites

NASA Astrophysics Data System (ADS)

Baskakov, A. O.; Solov'eva, A. Yu.; Ioni, Yu. V.; Starchikov, S. S.; Lyubutin, I. S.; Khodos, I. I.; Avilov, A. S.; Gubin, S. P.

2017-11-01

Core-shell Fe3O4/Au nanostructures were obtained with an advanced method of two step synthesis and several complementary methodics were applied for investigation structural and magnetic properties of the samples. Along with X-ray diffraction and transmission electron microscopy, electron diffraction, optical, Raman and Mössbauer spectroscopy were used for nanoparticle characterization. It was established that the physical and structural properties Fe3O4/Au nanocomposites are specific of intrinsic properties of gold and magnetite. Mössbauer and Raman spectroscopy data indicated that magnetite was in a nonstoichiometric state with an excess of trivalent iron both in the initial Fe3O4 nanoparticles and in the Fe3O4/Au nanocomposites. As follows from the Mössbauer data, magnetic properties of iron ions in the internal area (in core) and in the surface layer of magnetite nanoparticles are different due to the rupture of exchange bonds at the particles surface. This leads to decrease in an effective magnetic moment at the surface. Gold atoms at the interface of the composites interact with dangling bonds of magnetite and stabilize the magnetic properties of the surface layers of magnetite.

Dy-V magnetic interaction and local structure bias on the complex spin and orbital ordering in Dy₁₋ xTb xVO₃ (x=0 and 0.2)

DOE PAGES

Yan, J.-Q.; Cao, H. B.; McGuire, M. A.; ...

2013-06-10

The spin and orbital ordering in Dy₁₋ xTb xVO₃ (x=0 and 0.2) was studied by measuring x-ray powder diffraction, magnetization, specific heat, and neutron single-crystal diffraction. The results show that G-OO/C-AF and C-OO/G-AF phases coexist in Dy 0.8Tb 0.20VO 3 in the temperature range 2–60 K, and the volume fraction of each phase is temperature and field dependent. The ordering of Dy moments at T* = 12 K induces a transition from G-OO/C-AF to a C-OO/G-AF phase. Magnetic fields suppress the long-range order of Dy moments and thus the C-OO/G-AF phase below T*. The polarized moments induced at the Dymore » sublattice by external magnetic fields couple to the V 3d moments, and this coupling favors the G-OO/C-AF state. Also discussed is the effect of the Dy-V magnetic interaction and local structure distortion on the spin and orbital ordering in Dy₁₋ xTb xVO₃.« less

Nuclear Spin Nanomagnet in an Optically Excited Quantum Dot

NASA Astrophysics Data System (ADS)

Korenev, V. L.

2007-12-01

Linearly polarized light tuned slightly below the optical transition of the negatively charged exciton (trion) in a single quantum dot causes the spontaneous nuclear spin polarization (self-polarization) at a level close to 100%. The effective magnetic field of spin-polarized nuclei shifts the optical transition energy close to resonance with photon energy. The resonantly enhanced Overhauser effect sustains the stability of the nuclear self-polarization even in the absence of spin polarization of the quantum dot electron. As a result the optically selected single quantum dot represents a tiny magnet with the ferromagnetic ordering of nuclear spins—the nuclear spin nanomagnet.

Nuclear spin nanomagnet in an optically excited quantum dot.

PubMed

Korenev, V L

2007-12-21

Linearly polarized light tuned slightly below the optical transition of the negatively charged exciton (trion) in a single quantum dot causes the spontaneous nuclear spin polarization (self-polarization) at a level close to 100%. The effective magnetic field of spin-polarized nuclei shifts the optical transition energy close to resonance with photon energy. The resonantly enhanced Overhauser effect sustains the stability of the nuclear self-polarization even in the absence of spin polarization of the quantum dot electron. As a result the optically selected single quantum dot represents a tiny magnet with the ferromagnetic ordering of nuclear spins-the nuclear spin nanomagnet.

Direct current superconducting quantum interference device spectrometer for pulsed nuclear magnetic resonance and nuclear quadrupole resonance at frequencies up to 5 MHz

DOE Office of Scientific and Technical Information (OSTI.GOV)

TonThat, D.M.; Clarke, J.

1996-08-01

A spectrometer based on a dc superconducting quantum interference device (SQUID) has been developed for the direct detection of nuclear magnetic resonance (NMR) or nuclear quadrupole resonance (NQR) at frequencies up to 5 MHz. The sample is coupled to the input coil of the niobium-based SQUID via a nonresonant superconducting circuit. The flux locked loop involves the direct offset integration technique with additional positive feedback in which the output of the SQUID is coupled directly to a low-noise preamplifier. Precession of the nuclear quadrupole spins is induced by a magnetic field pulse with the feedback circuit disabled; subsequently, flux lockedmore » operation is restored and the SQUID amplifies the signal produced by the nuclear free induction signal. The spectrometer has been used to detect {sup 27}Al NQR signals in ruby (Al{sub 2}O{sub 3}[Cr{sup 3+}]) at 359 and 714 kHz. {copyright} {ital 1996 American Institute of Physics.}« less

An experimental study on the magnetic and exchange bias properties of selected Mn rich Ni-Mn-Ga based Heusler alloys

NASA Astrophysics Data System (ADS)

Albagami, Abdullah Mohamed

In this Thesis project, an experimental study on the magnetic and exchange bias properties of a series of polycrystalline Ni1.7-xMn1.7+x Ga0.6 alloys have been investigated by x-ray diffraction, dc magnetization, and ac susceptibility measurements. X-ray diffraction measurement showed that all prepared samples have a tetragonal L10 martensitic structure at room temperature. Scanning electron microscopy measurements show that the compounds are single phase. With increasing Mn concentration x, the lattice parameters marginally increases. The temperature dependence of magnetization data show two distinct transitions in the alloys. At lower temperatures, a peak in the data is observed while the ferromagnetic to paramagnetic transition occurs at higher temperatures. With increasing Mn concentration, the temperature of both transitions increases. Thermomagnetic irreversibility is observed in the magnetization data of all alloys. The ac susceptibility measurements on the materials show the existence of frequency dependence, which suggest that the thermomagnetic irreversibility in the magnetization data is due to the spin glass like ground state in the alloys. The spin glass like ground state with competing magnetic interactions result in the observation of double-shifted hysteresis loop and exchange bias effects in the alloys. The magnitude of the exchange bias field is strongly dependent on the cooling field.

Why magnetite is not the only indicator of past rainfall in the Chinese loess plateau?

NASA Astrophysics Data System (ADS)

Guo, Xuelian; Banerjee, Subir K.; Wang, Ronghua; Zhao, Guoyong; Song, Hong; Lü, Bin; Li, Qian; Liu, Xiuming

2018-03-01

The study investigates the magnetic mineralogy of paleosol S5 from Xifeng (XF), Linyou (LY) and Baoji (BJ) sections with increasing annual precipitation from north to the south on the Chinese Loess Plateau. Paleosol S5 samples from these three localities are further prepared as magnetic extracts and separation residues. Low temperature magnetic measurements including field cooled and zero field cooled (FC/ZFC) remanence, in-phase magnetic susceptibility, thermal remanent magnetization and room temperature saturation isothermal remanence magnetization (RTSIRM), with X-ray diffraction measurements are carried out for all magnetic extracts and separation residues samples. The asymmetric rounded `hump' in cooling curves on RTSIRM and the `tilted' Verwey transition on ZFC/FC curves suggest that partially oxidized magnetite is the dominant magnetic contributor, not pure maghemite or magnetite. Furthermore, The Verwey transitions on cooling curves slightly decrease and the increased slope of `tilted' Verwey transition on ZFC remanence curves show that the degree of oxidation of magnetite between localities increases in the order XF-LY-BJ. Hard isothermal remanent magnetization, X-ray diffraction data and the difference of magnetization in warming curves of RTSIRM suggest that both hematite concentration in magnetic extracts and goethite concentration in separation residues increase from XF to BJ. Frequency dependent susceptibility and ZFC/FC curves show that BJS5 layer formed under high paleoprecipitation has less superparamagnetic (SP) but more single domain to pseudo-single domain particles, because SP maghemite was dissolved and transformed into goethite by temporary water-logging. The increase in hematite concentration is interpreted as due to SP maghemite oxidation or original goethite dehydration within dry soil environment. Therefore, transformation of maghemite to goethite in waterlogged phases of the S5 paleosol led to the loss of magnetization.

High-coercivity, thermally stable and low unblocking temperature magnetic phase: Implications for Archeomagnetic studies

NASA Astrophysics Data System (ADS)

Hartmann, G. A.; Gallet, Y.; Trindade, R. I.; Genevey, A.; Berquo, T. S.; Neumann, R.; Le Goff, M.

2013-05-01

The thermoremanent magnetization in baked clay archeological materials provide very useful information on the time evolution of the Earth's magnetic field over the past few millennia. In these materials, a thermally stable magnetic phase characterized by high coercivities (>400 mT) and low unblocking temperatures (~200 degrees Celsius) has recently been recognized in European bricks, tiles, kilns and hearth samples. Both the identification and the origin of this phase remain, however, poorly constrained. The very same high-coercivity, thermally stable, low unblocking temperature (HCSLT) magnetic phase has been identified in Brazilian bricks fragments dated of the past five centuries. We report here a large set of measurements on a selected collection of samples showing variable contributions of the HCSLT phase. These measurements include low-field magnetic susceptibility vs. temperature curves, hysteresis loops, isothermal remanent magnetization (IRM) acquisition, thermal demagnetization of the three-axis IRM, first order reversal curves (FORC), low-temperature magnetization experiments (remanent magnetization curves and alternating current susceptibility), Mössbauer spectroscopy and X-ray diffraction. Results show the coexistence of low-coercivity magnetic minerals (magnetite and titanomagnetite) and high-coercivity minerals (hematite, HCSLT phase and, in some cases, goethite). We note that the HCSLT magnetic phase is always found in association with hematite. We further observe that the Mössbauer spectroscopy, X-ray diffraction spectra, and the FORC diagrams are also very similar to results previously obtained from annealed clays in which nontronite or iron-rich montmorillonite was transformed into Al-substituted hematite by heating. The HCSLT magnetic phase is thus confidently identified as being hematite with Al substitution. Moreover, considering the abundance of montmorillonite in clay mining settings, we suggest that the widespread occurrence of HCSLT in archeological materials predominantly originates from the transformation of iron-rich montmorillonite during the manufacturing (heating) process.

Why magnetite is not the only indicator of past rainfall in the Chinese Loess Plateau?

NASA Astrophysics Data System (ADS)

Guo, Xuelian; Banerjee, Subir K.; Wang, Ronghua; Zhao, Guoyong; Song, Hong; Lü, Bin; Li, Qian; Liu, Xiuming

2018-06-01

This study investigates the magnetic mineralogy of palaeosol S5 from Xifeng (XF), Linyou (LY) and Baoji (BJ) sections with increasing annual precipitation from north to the south on the Chinese Loess Plateau. Palaeosol S5 samples from these three localities are further prepared as magnetic extracts and separation residues. Low-temperature magnetic measurements including field cooled and zero field cooled (FC/ZFC) remanence, in-phase magnetic susceptibility, thermal remanent magnetization and room temperature saturation isothermal remanence magnetization (RTSIRM), with X-ray diffraction measurements are carried out for all magnetic extracts and separation residues samples. The asymmetric rounded `hump' in cooling curves on RTSIRM and the `tilted' Verwey transition on ZFC/FC curves suggest that partially oxidized magnetite is the dominant magnetic contributor, not pure maghemite or magnetite. Furthermore, The Verwey transitions on cooling curves slightly decrease and the increased slope of `tilted' Verwey transition on ZFC remanence curves show that the degree of oxidation of magnetite between localities increases in the order XF-LY-BJ. Hard isothermal remanent magnetization, X-ray diffraction data and the difference of magnetization in warming curves of RTSIRM suggest that both hematite concentration in magnetic extracts and goethite concentration in separation residues increase from XF to BJ. Frequency-dependent susceptibility and ZFC/FC curves show that BJS5 layer formed under high palaeoprecipitation has less superparamagnetic (SP) but more single domain to pseudo-single domain particles, because SP maghemite was dissolved and transformed into goethite by temporary waterlogging. The increase in hematite concentration is interpreted as due to SP maghemite oxidation or original goethite dehydration within dry soil environment. Therefore, transformation of maghemite to goethite in waterlogged phases of the S5 palaeosol led to the loss of magnetization.

Angstrom-Resolution Magnetic Resonance Imaging of Single Molecules via Wave-Function Fingerprints of Nuclear Spins

NASA Astrophysics Data System (ADS)

Ma, Wen-Long; Liu, Ren-Bao

2016-08-01

Single-molecule sensitivity of nuclear magnetic resonance (NMR) and angstrom resolution of magnetic resonance imaging (MRI) are the highest challenges in magnetic microscopy. Recent development in dynamical-decoupling- (DD) enhanced diamond quantum sensing has enabled single-nucleus NMR and nanoscale NMR. Similar to conventional NMR and MRI, current DD-based quantum sensing utilizes the "frequency fingerprints" of target nuclear spins. The frequency fingerprints by their nature cannot resolve different nuclear spins that have the same noise frequency or differentiate different types of correlations in nuclear-spin clusters, which limit the resolution of single-molecule MRI. Here we show that this limitation can be overcome by using "wave-function fingerprints" of target nuclear spins, which is much more sensitive than the frequency fingerprints to the weak hyperfine interaction between the targets and a sensor under resonant DD control. We demonstrate a scheme of angstrom-resolution MRI that is capable of counting and individually localizing single nuclear spins of the same frequency and characterizing the correlations in nuclear-spin clusters. A nitrogen-vacancy-center spin sensor near a diamond surface, provided that the coherence time is improved by surface engineering in the near future, may be employed to determine with angstrom resolution the positions and conformation of single molecules that are isotope labeled. The scheme in this work offers an approach to breaking the resolution limit set by the "frequency gradients" in conventional MRI and to reaching the angstrom-scale resolution.

Application of spin-exchange relaxation-free magnetometry to the Cosmic Axion Spin Precession Experiment

NASA Astrophysics Data System (ADS)

Wang, Tao; Kimball, Derek F. Jackson; Sushkov, Alexander O.; Aybas, Deniz; Blanchard, John W.; Centers, Gary; Kelley, Sean R. O.'; Wickenbrock, Arne; Fang, Jiancheng; Budker, Dmitry

2018-03-01

The Cosmic Axion Spin Precession Experiment (CASPEr) seeks to measure oscillating torques on nuclear spins caused by axion or axion-like-particle (ALP) dark matter via nuclear magnetic resonance (NMR) techniques. A sample spin-polarized along a leading magnetic field experiences a resonance when the Larmor frequency matches the axion/ALP Compton frequency, generating precessing transverse nuclear magnetization. Here we demonstrate a Spin-Exchange Relaxation-Free (SERF) magnetometer with sensitivity ≈ 1 fT /√{ Hz } and an effective sensing volume of 0.1 cm3 that may be useful for NMR detection in CASPEr. A potential drawback of SERF-magnetometer-based NMR detection is the SERF's limited dynamic range. Use of a magnetic flux transformer to suppress the leading magnetic field is considered as a potential method to expand the SERF's dynamic range in order to probe higher axion/ALP Compton frequencies.

Parahydrogen-enhanced zero-field nuclear magnetic resonance

NASA Astrophysics Data System (ADS)

Theis, T.; Ganssle, P.; Kervern, G.; Knappe, S.; Kitching, J.; Ledbetter, M. P.; Budker, D.; Pines, A.

2011-07-01

Nuclear magnetic resonance, conventionally detected in magnetic fields of several tesla, is a powerful analytical tool for the determination of molecular identity, structure and function. With the advent of prepolarization methods and detection schemes using atomic magnetometers or superconducting quantum interference devices, interest in NMR in fields comparable to the Earth's magnetic field and below (down to zero field) has been revived. Despite the use of superconducting quantum interference devices or atomic magnetometers, low-field NMR typically suffers from low sensitivity compared with conventional high-field NMR. Here we demonstrate direct detection of zero-field NMR signals generated through parahydrogen-induced polarization, enabling high-resolution NMR without the use of any magnets. The sensitivity is sufficient to observe spectra exhibiting 13C-1H scalar nuclear spin-spin couplings (known as J couplings) in compounds with 13C in natural abundance, without the need for signal averaging. The resulting spectra show distinct features that aid chemical fingerprinting.

Time domain-nuclear magnetic resonance study of chars from southern hardwoods

Treesearch

Thomas Elder; Nicole Labbe; David Harper; Timothy Rials

2006-01-01

Chars from the thermal degradation of silver maple (Acer saccharinum), red maple (Acer rubrum), sugar maple (Acer saccharum), and white oak (Quercus spp.), performed at temperatures from 250 to 350 oC, were examined using time domain-nuclear magnetic resonance...

Subwavelength resolution from multilayered structure (Conference Presentation)

NASA Astrophysics Data System (ADS)

Cheng, Bo Han; Jen, Yi-Jun; Liu, Wei-Chih; Lin, Shan-wen; Lan, Yung-Chiang; Tsai, Din Ping

2016-10-01

Breaking optical diffraction limit is one of the most important issues needed to be overcome for the demand of high-density optoelectronic components. Here, a multilayered structure which consists of alternating semiconductor and dielectric layers for breaking optical diffraction limitation at THz frequency region are proposed and analyzed. We numerically demonstrate that such multilayered structure not only can act as a hyperbolic metamaterial but also a birefringence material via the control of the external temperature (or magnetic field). A practical approach is provided to control all the diffraction signals toward a specific direction by using transfer matrix method and effective medium theory. Numerical calculations and computer simulation (based on finite element method, FEM) are carried out, which agree well with each other. The temperature (or magnetic field) parameter can be tuned to create an effective material with nearly flat isofrequency feature to transfer (project) all the k-space signals excited from the object to be resolved to the image plane. Furthermore, this multilayered structure can resolve subwavelength structures at various incident THz light sources simultaneously. In addition, the resolution power for a fixed operating frequency also can be tuned by only changing the magnitude of external magnetic field. Such a device provides a practical route for multi-functional material, photolithography and real-time super-resolution image.

Magnetic structure of DyFe3

NASA Astrophysics Data System (ADS)

Jin, Long-huan; W, J. James; J, Rhyne; R, Lemaire

1985-06-01

Powder neutron diffraction measurements have been carried out on the intermetallic compound DyFe3 at 4 and 295K. The magnetic structure of the compound at 4 and 295K are noncollinear but coplanar in the a-c plane, and the moments of the Dy and Fe ions lie closer to the basal plane.

Effect of different annealing condition on the structural and magnetic properties of Mn2NiGa Heusler alloys

NASA Astrophysics Data System (ADS)

Vagadia, Megha; Hester, James; Nigam, A. K.

2018-04-01

We studied the effect of different annealing conditions on structural and magnetic properties of Mn2NiGa Heusler alloys. Reitveld refinement of neutron diffraction pattern at RT confirms the tetragonal structure with cubic phase for I-W quenched alloy whereas Le Bail fitting trials performed on neutron diffraction pattern collected for other three alloys confirm 7M monoclinic structure with cubic phase. It is found that starting and finish temperatures associated with martensite and austenite phase transformation depends strongly on the cooling rate corresponding to different cooling techniques. Slow furnace cooled sample possesses the highest martensite start temperature above room temperature ˜ 326K which decreases to ˜ 198K for ice -water quenched sample. Variation in the drop in the magnetization around MS obtained upon warming from martensite to austenite phase under ZFC cycle suggests that change in the cooling condition strongly affects the magnetization in the low temperature martensite phase. Present results suggest that by varying the cooling rate, martensite transformation as well as the martensite structure can be tuned.

The magnetic structure of EuCu 2Sb 2

DOE PAGES

Ryan, D. H.; Cadogan, J. M.; Anand, V. K.; ...

2015-05-06

Antiferromagnetic ordering of EuCu 2Sb 2 which forms in the tetragonal CaBe 2Ge 2-type structure (space group P4/nmm #129) has been studied using neutron powder diffraction and 151Eu Mössbauer spectroscopy. The room temperature 151Eu isomer shift of –12.8(1) mm/s shows the Eu to be divalent, while the 151Eu hyperfine magnetic field (B hf) reaches 28.7(2) T at 2.1 K, indicating a full Eu 2+ magnetic moment. B hf(T) follows a smoothmore » $$S=\\frac{7}{2}$$ Brillouin function and yields an ordering temperature of 5.1(1) K. Refinement of the neutron diffraction data reveals a collinear A-type antiferromagnetic arrangement with the Eu moments perpendicular to the tetragonal c-axis. As a result, the refined Eu magnetic moment at 0.4 K is 7.08(15) μ B which is the full free-ion moment expected for the Eu 2+ ion with $$S=\\frac{7}{2}$$ and a spectroscopic splitting factor of g = 2.« less

Magnetic phase diagram and multiferroicity of Ba 3 MnNb 2 O 9 : A spin - 5 2 triangular lattice antiferromagnet with weak easy-axis anisotropy

DOE PAGES

Lee, M.; Choi, E. S.; Huang, X.; ...

2014-12-01

Here we have performed magnetic, electric, thermal and neutron powder diffraction (NPD) experiments as well as density functional theory (DFT) calculations on Ba 3MnNb 2 O 9. All results suggest that Ba 3MnNb 2 O 9 is a spin-5/2 triangular lattice antiferromagnet (TLAF) with weak easy-axis anisotropy. At zero field, we observed a narrow two-step transition at T N1 = 3.4 K and T N2 = 3.0 K. The neutron diffraction measurement and the DFT calculation indicate a 120 spin structure in ab plane with out-of-plane canting at low temperatures. With increasing magnetic field, the 120 spin structure evolves intomore » up-up-down (uud) and oblique phases showing successive magnetic phase transitions, which fits well to the theoretical prediction for the 2D Heisenberg TLAF with classical spins. Ultimately, multiferroicity is observed when the spins are not collinear but suppressed in the uud and oblique phases.« less

Magnetic and topographical modifications of amorphous Co-Fe thin films induced by high energy Ag7+ ion irradiation

NASA Astrophysics Data System (ADS)

Pookat, G.; Hysen, T.; Al-Harthi, S. H.; Al-Omari, I. A.; Lisha, R.; Avasthi, D. K.; Anantharaman, M. R.

2013-09-01

We have investigated the effects of swift heavy ion irradiation on thermally evaporated 44 nm thick, amorphous Co77Fe23 thin films on silicon substrates using 100 MeV Ag7+ ions fluences of 1 × 1011 ions/cm2, 1 × 1012 ions/cm2, 1 × 1013 ions/cm2, and 3 × 1013 ions/cm2. The structural modifications upon swift heavy irradiation were investigated using glancing angle X-ray diffraction. The surface morphological evolution of thin film with irradiation was studied using Atomic Force Microscopy. Power spectral density analysis was used to correlate the roughness variation with structural modifications investigated using X-ray diffraction. Magnetic measurements were carried out using vibrating sample magnetometry and the observed variation in coercivity of the irradiated films is explained on the basis of stress relaxation. Magnetic force microscopy images are subjected to analysis using the scanning probe image processor software. These results are in agreement with the results obtained using vibrating sample magnetometry. The magnetic and structural properties are correlated.

Atomic magnetic gradiometer for room temperature high sensitivity magnetic field detection

DOEpatents

Xu, Shoujun [Berkeley, CA; Lowery, Thomas L [Belmont, MA; Budker, Dmitry [El Cerrito, CA; Yashchuk, Valeriy V [Richmond, CA; Wemmer, David E [Berkeley, CA; Pines, Alexander [Berkeley, CA

2009-08-11

A laser-based atomic magnetometer (LBAM) apparatus measures magnetic fields, comprising: a plurality of polarization detector cells to detect magnetic fields; a laser source optically coupled to the polarization detector cells; and a signal detector that measures the laser source after being coupled to the polarization detector cells, which may be alkali cells. A single polarization cell may be used for nuclear magnetic resonance (NMR) by prepolarizing the nuclear spins of an analyte, encoding spectroscopic and/or spatial information, and detecting NMR signals from the analyte with a laser-based atomic magnetometer to form NMR spectra and/or magnetic resonance images (MRI). There is no need of a magnetic field or cryogenics in the detection step, as it is detected through the LBAM.

Neutron diffraction and μ SR studies of two polymorphs of nickel niobate NiNb 2 O 6

DOE PAGES

Munsie, T. J. S.; Wilson, M. N.; Millington, A.; ...

2017-10-13

Neutron diffraction and muon spin relaxation (μSR) studies are presented in this paper for the newly characterized polymorph of NiNb 2O 6 (β-NiNb 2O 6) with space group P4 2/n and μSR data only for the previously known columbite structure polymorph with space group Pbcn. The magnetic structure of the P4 2/n form was determined from neutron diffraction using both powder and single-crystal data. Powder neutron diffraction determined an ordering wave vector →k=( 1/ 2, 1/ 2, 1/ 2). Single-crystal data confirmed the same →k vector and showed that the correct magnetic structure consists of antiferromagnetically coupled chains running alongmore » the a or b axis in adjacent Ni 2+ layers perpendicular to the c axis, which is consistent with the expected exchange interaction hierarchy in this system. The refined magnetic structure is compared with the known magnetic structures of the closely related trirutile phases, NiSb 2O 6 and NiTa 2O 6. μSR data finds a transition temperature of T N~15K for this system, while the columbite polymorph exhibits a lower T N=5.7(3) K. Our μSR measurements also allowed us to estimate the critical exponent of the order parameter β for each polymorph. We found β =0.25(3) and 0.16(2) for the β and columbite polymorphs, respectively. The single-crystal neutron scattering data give a value for the critical exponent β =0.28(3) for β-NiNb 2O 6, in agreement with the μSR value. While both systems have β values less than 0.3, which is indicative of reduced dimensionality, this effect appears to be much stronger for the columbite system. Finally, in other words, although both systems appear to be well described by S=1 spin chains, the interchain interactions in the β polymorph are likely much larger.« less

Neutron diffraction and μ SR studies of two polymorphs of nickel niobate NiNb2O6

NASA Astrophysics Data System (ADS)

Munsie, T. J. S.; Wilson, M. N.; Millington, A.; Thompson, C. M.; Flacau, R.; Ding, C.; Guo, S.; Gong, Z.; Aczel, A. A.; Cao, H. B.; Williams, T. J.; Dabkowska, H. A.; Ning, F.; Greedan, J. E.; Luke, G. M.

2017-10-01

Neutron diffraction and muon spin relaxation (μ SR ) studies are presented for the newly characterized polymorph of NiNb2O6 (β -NiNb2O6) with space group P4 2/n and μ SR data only for the previously known columbite structure polymorph with space group P b c n . The magnetic structure of the P4 2/n form was determined from neutron diffraction using both powder and single-crystal data. Powder neutron diffraction determined an ordering wave vector k ⃗=(1/2 ,1/2 ,1/2 ) . Single-crystal data confirmed the same k ⃗ vector and showed that the correct magnetic structure consists of antiferromagnetically coupled chains running along the a or b axis in adjacent Ni2 + layers perpendicular to the c axis, which is consistent with the expected exchange interaction hierarchy in this system. The refined magnetic structure is compared with the known magnetic structures of the closely related trirutile phases, NiSb2O6 and NiTa2O6 . μ SR data finds a transition temperature of TN˜15 K for this system, while the columbite polymorph exhibits a lower TN=5.7 (3 ) K. Our μ SR measurements also allowed us to estimate the critical exponent of the order parameter β for each polymorph. We found β =0.25 (3 ) and 0.16(2) for the β and columbite polymorphs, respectively. The single-crystal neutron scattering data give a value for the critical exponent β =0.28 (3 ) for β -NiNb2O6 , in agreement with the μ SR value. While both systems have β values less than 0.3, which is indicative of reduced dimensionality, this effect appears to be much stronger for the columbite system. In other words, although both systems appear to be well described by S =1 spin chains, the interchain interactions in the β polymorph are likely much larger.

Neutron diffraction and μ SR studies of two polymorphs of nickel niobate NiNb 2 O 6

DOE Office of Scientific and Technical Information (OSTI.GOV)

Munsie, T. J. S.; Wilson, M. N.; Millington, A.

Neutron diffraction and muon spin relaxation (μSR) studies are presented in this paper for the newly characterized polymorph of NiNb 2O 6 (β-NiNb 2O 6) with space group P4 2/n and μSR data only for the previously known columbite structure polymorph with space group Pbcn. The magnetic structure of the P4 2/n form was determined from neutron diffraction using both powder and single-crystal data. Powder neutron diffraction determined an ordering wave vector →k=( 1/ 2, 1/ 2, 1/ 2). Single-crystal data confirmed the same →k vector and showed that the correct magnetic structure consists of antiferromagnetically coupled chains running alongmore » the a or b axis in adjacent Ni 2+ layers perpendicular to the c axis, which is consistent with the expected exchange interaction hierarchy in this system. The refined magnetic structure is compared with the known magnetic structures of the closely related trirutile phases, NiSb 2O 6 and NiTa 2O 6. μSR data finds a transition temperature of T N~15K for this system, while the columbite polymorph exhibits a lower T N=5.7(3) K. Our μSR measurements also allowed us to estimate the critical exponent of the order parameter β for each polymorph. We found β =0.25(3) and 0.16(2) for the β and columbite polymorphs, respectively. The single-crystal neutron scattering data give a value for the critical exponent β =0.28(3) for β-NiNb 2O 6, in agreement with the μSR value. While both systems have β values less than 0.3, which is indicative of reduced dimensionality, this effect appears to be much stronger for the columbite system. Finally, in other words, although both systems appear to be well described by S=1 spin chains, the interchain interactions in the β polymorph are likely much larger.« less

Nuclear States with Abnormally Large Radii (size Isomers)

NASA Astrophysics Data System (ADS)

Ogloblin, A. A.; Demyanova, A. S.; Danilov, A. N.; Belyaeva, T. L.; Goncharov, S. A.

2015-06-01

Application of the methods of measuring the radii of the short-lived excited states (Modified diffraction model MDM, Inelastic nuclear rainbow scattering method INRS, Asymptotic normalization coefficients method ANC) to the analysis of some nuclear reactions provide evidence of existing in 9Be, 11B, 12C, 13C the excited states whose radii exceed those of the corresponding ground states by ~ 30%. Two types of structure of these "size isomers" were identified: neutron halo an α-clusters.

Nuclear Magnetic Resonance Technology for Medical Studies.

ERIC Educational Resources Information Center

Budinger, Thomas F.; Lauterbur, Paul C.

1984-01-01

Reports on the status of nuclear magnetic resonance (NMR) from theoretical and clinical perspectives, reviewing NMR theory and relaxation parameters relevant to NMR imaging. Also reviews literature related to modern imaging strategies, signal-to-noise ratio, contrast agents, in vivo spectroscopy, spectroscopic imaging, clinical applications, and…

COMPREHENSIVE PROGRESS REPORT FOR FOURIER TRANSFORM NMR (NUCLEAR MAGNETIC RESONANCE) OF METALS OF ENVIRONMENTAL SIGNIFICANCE

EPA Science Inventory

Interactions of the metals cadmium and selenium with various biologically important substrates were studied by nuclear magnetic resonance (NMR) spectroscopy. Cadmium-113 NMR was used for a critical examination of three metalloproteins: concanavalin A, bovine superoxide dismutase ...

Effect of 1. 5 tesla nuclear magnetic resonance imaging scanner on implanted permanent pacemakers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hayes, D.L.; Holmes, D.R. Jr.; Gray, J.E.

1987-10-01

Patients with a permanent pacemaker are currently restricted from diagnostic nuclear magnetic resonance (NMR) imaging because of potential adverse effects on the pacemaker by the magnet. Previous work has shown that NMR imaging will result in asynchronous pacing of the pulse generator within a given distance of the magnet. The radiofrequency signal generated by the system may also result in rapid cardiac pacing, which may have deleterious effects. This study utilized a 1.5 tesla unit in an in vivo laboratory animal to evaluate the unit's effects on eight different pulse generators from two manufacturers. All pacemakers functioned in an asynchronousmore » mode when placed within a certain distance of the magnet. In addition, transient reed switch inhibition was observed. Seven of the eight pulse generators paced rapidly when exposed to the radiofrequency signal and there was a dramatic decrease in arterial blood pressure. Whether effective rapid cardiac pacing would occur could not be predicted before exposure to the magnetic resonance unit. Nuclear magnetic resonance imaging with high magnetic fields in patients with a pacemaker should continue to be avoided until the mechanism of the rapid cardiac pacing can be further delineated and either predicted or prevented.« less

Dynamic Nuclear Polarization and other magnetic ideas at EPFL.

PubMed

Bornet, Aurélien; Milani, Jonas; Wang, Shutao; Mammoli, Daniele; Buratto, Roberto; Salvi, Nicola; Segaw, Takuya F; Vitzthum, Veronika; Miéville, Pascal; Chinthalapalli, Srinivas; Perez-Linde, Angel J; Carnevale, Diego; Jannin, Sami; Caporinia, Marc; Ulzega, Simone; Rey, Martial; Bodenhausen, Geoffrey

2012-01-01

Although nuclear magnetic resonance (NMR) can provide a wealth of information, it often suffers from a lack of sensitivity. Dynamic Nuclear Polarization (DNP) provides a way to increase the polarization and hence the signal intensities in NMR spectra by transferring the favourable electron spin polarization of paramagnetic centres to the surrounding nuclear spins through appropriate microwave irradiation. In our group at EPFL, two complementary DNP techniques are under investigation: the combination of DNP with magic angle spinning at temperatures near 100 K ('MAS-DNP'), and the combination of DNP at 1.2 K with rapid heating followed by the transfer of the sample to a high-resolution magnet ('dissolution DNP'). Recent applications of MAS-DNP to surfaces, as well as new developments of magnetization transfer of (1)H to (13)C at 1.2 K prior to dissolution will illustrate the work performed in our group. A second part of the paper will give an overview of some 'non-enhanced' activities of our laboratory in liquid- and solid-state NMR.

Calculations of atomic magnetic nuclear shielding constants based on the two-component normalized elimination of the small component method

NASA Astrophysics Data System (ADS)

Yoshizawa, Terutaka; Zou, Wenli; Cremer, Dieter

2017-04-01

A new method for calculating nuclear magnetic resonance shielding constants of relativistic atoms based on the two-component (2c), spin-orbit coupling including Dirac-exact NESC (Normalized Elimination of the Small Component) approach is developed where each term of the diamagnetic and paramagnetic contribution to the isotropic shielding constant σi s o is expressed in terms of analytical energy derivatives with regard to the magnetic field B and the nuclear magnetic moment 𝝁 . The picture change caused by renormalization of the wave function is correctly described. 2c-NESC/HF (Hartree-Fock) results for the σiso values of 13 atoms with a closed shell ground state reveal a deviation from 4c-DHF (Dirac-HF) values by 0.01%-0.76%. Since the 2-electron part is effectively calculated using a modified screened nuclear shielding approach, the calculation is efficient and based on a series of matrix manipulations scaling with (2M)3 (M: number of basis functions).

Enhanced magnetic hysteresis in Ni-Mn-Ga single crystal and its influence on magnetic shape memory effect

NASA Astrophysics Data System (ADS)

Heczko, O.; Drahokoupil, J.; Straka, L.

2015-05-01

Enhanced magnetic hysteresis due to boron doping in combination with magnetic shape memory effect in Ni-Mn-Ga single crystal results in new interesting functionality of magnetic shape memory (MSM) alloys such as mechanical demagnetization. In Ni50.0Mn28.5Ga21.5 single crystal, the boron doping increased magnetic coercivity from few Oe to 270 Oe while not affecting the transformation behavior and 10 M martensite structure. However, the magnetic field needed for MSM effect also increased in doped sample. The magnetic behavior is compared to undoped single crystal of similar composition. The evidence from the X-ray diffraction, magnetic domain structure, magnetization loops, and temperature evolution of the magnetic coercivity points out that the enhanced hysteresis is caused by stress-induced anisotropy.

Progressive magnetic softening of ferromagnetic layers in multilayer ferromagnet-nonmagnet systems and the role of granularity

NASA Astrophysics Data System (ADS)

Sahu, Siddharth S.; Siva, Vantari; Pradhan, Paresh C.; Nayak, Maheswar; Senapati, Kartik; Sahoo, Pratap K.

2017-06-01

We report a study of the structural and magnetic behavior of the topmost magnetic layer in a ferromagnet-nonmagnet (Co-Au) multilayer system. Glancing angle X-ray diffraction measurements performed on a series of multilayers showed a gradual decrease in the grain size of the topmost magnetic layer with the increasing number of bilayers. Concurrently, the magnetic hardness and magneto-crystalline anisotropy of the top Co layer were found to decrease, as observed by magneto-optical Kerr effect measurements. This magnetic softening has been discussed in the light of Herzer's random anisotropy model. Micromagnetic simulations of the multilayer system also corroborated these observations.

Field-induced metastability of the modulation wave vector in a magnetic soliton lattice

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, M.; Peng, J.; Hong, T.

We present magnetic-field-induced metastability of the magnetic soliton lattice in a bilayer ruthenate Ca 3(Ru 1–xFe x) 2O 7(x=0.05) through single-crystal neutron diffraction study. We show that the incommensurability of the modulation wave vector at zero field strongly depends on the history of magnetic field at low temperature, and that the equilibrium ground state can be achieved by warming above a characteristic temperature T g~37K. Lastly, we suggest that such metastability might be associated with the domain wall pinning by the magnetic Fe dopants.

Field-induced metastability of the modulation wave vector in a magnetic soliton lattice

DOE PAGES

Zhu, M.; Peng, J.; Hong, T.; ...

2017-04-19

We present magnetic-field-induced metastability of the magnetic soliton lattice in a bilayer ruthenate Ca 3(Ru 1–xFe x) 2O 7(x=0.05) through single-crystal neutron diffraction study. We show that the incommensurability of the modulation wave vector at zero field strongly depends on the history of magnetic field at low temperature, and that the equilibrium ground state can be achieved by warming above a characteristic temperature T g~37K. Lastly, we suggest that such metastability might be associated with the domain wall pinning by the magnetic Fe dopants.

The Effects of a Magnetic Field on the Crystallization of a Fluorozirconate Glass

NASA Technical Reports Server (NTRS)

Tucker, Dennis S.; Lapointe, Michael R.; Jia, Zhiyong

2006-01-01

An axial magnetic field of 0.1T was applied to ZrF4-BaF2-LaF3-AlF3-NaF (ZBLAN) fibers during heating to the glass crystallization temperature. Scanning electron microscopy and x-ray diffraction were used to identify crystal phases. It was shown that fibers exposed to the magnetic field did not crystallize while fibers not exposed to the field did crystallize. A hypothesis based on magnetic work was proposed to explain the results and tested by measuring the magnetic susceptibilities of the glass and crystal.

The effects of lithium hydroxide solution on alkali silica reaction gels created with opal

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mitchell, Lyndon D.; Beaudoin, James J.; Grattan-Bellew, Patrick

The reaction of Nevada opal with calcium hydroxide, potassium hydroxide and lithium hydroxide solutions was investigated. In addition, opal was exposed to a combined solution of these three hydroxides. The progress of the three reactions was followed using X-ray diffraction (XRD), {sup 29}Si nuclear magnetic resonance (NMR) and scanning electron microscopy (SEM). The XRD results indicated the presence of a low-angle peak exclusive to the lithium-based reactions. The NMR results suggested a change in the silicate structure in the presence of lithium. These techniques indicated that the reaction of the alkali with the opal starting material is inhibited and perhapsmore » stopped in the presence of lithium hydroxide. SEM revealed that the morphology of the reaction products on the surface of the reacted opal grains is markedly different invariably. It was concluded that evidence to support the theory of a protective layer exists and that the nature of the layer varies with ion type.« less

"Job-Sharing" Storage of Hydrogen in Ru/Li₂O Nanocomposites.

PubMed

Fu, Lijun; Tang, Kun; Oh, Hyunchul; Manickam, Kandavel; Bräuniger, Thomas; Chandran, C Vinod; Menzel, Alexander; Hirscher, Michael; Samuelis, Dominik; Maier, Joachim

2015-06-10

A "job-sharing" hydrogen storage mechanism is proposed and experimentally investigated in Ru/Li2O nanocomposites in which H(+) is accommodated on the Li2O side, while H(-) or e(-) is stored on the side of Ru. Thermal desorption-mass spectroscopy results show that after loading with D2, Ru/Li2O exhibits an extra desorption peak, which is in contrast to Ru nanoparticles or ball-milled Li2O alone, indicating a synergistic hydrogen storage effect due to the presence of both phases. By varying the ratio of the two phases, it is shown that the effect increases monotonically with the area of the heterojunctions, indicating interface related hydrogen storage. X-ray diffraction, Fourier transform infrared spectroscopy, and nuclear magnetic resonance results show that a weak LiO···D bond is formed after loading in Ru/Li2O nanocomposites with D2. The storage-pressure curve seems to favor H(+)/H(-) over H(+)/e(-) mechanism.

Pressure-Induced Polymerization of Acetylene: Structure-Directed Stereoselectivity and a Possible Route to Graphane.

PubMed

Sun, Jiangman; Dong, Xiao; Wang, Yajie; Li, Kuo; Zheng, Haiyan; Wang, Lijuan; Cody, George D; Tulk, Christopher A; Molaison, Jamie J; Lin, Xiaohuan; Meng, Yufei; Jin, Changqing; Mao, Ho-Kwang

2017-06-01

Geometric isomerism in polyacetylene is a basic concept in chemistry textbooks. Polymerization to cis-isomer is kinetically preferred at low temperature, not only in the classic catalytic reaction in solution but also, unexpectedly, in the crystalline phase when it is driven by external pressure without a catalyst. Until now, no perfect reaction route has been proposed for this pressure-induced polymerization. Using in situ neutron diffraction and meta-dynamic simulation, we discovered that under high pressure, acetylene molecules react along a specific crystallographic direction that is perpendicular to those previously proposed. Following this route produces a pure cis-isomer and more surprisingly, predicts that graphane is the final product. Experimentally, polycyclic polymers with a layered structure were identified in the recovered product by solid-state nuclear magnetic resonance and neutron pair distribution functions, which indicates the possibility of synthesizing graphane under high pressure. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Combinatorial investigation of Fe–B thin-film nanocomposites

PubMed Central

Brunken, Hayo; Grochla, Dario; Savan, Alan; Kieschnick, Michael; Meijer, Jan D; Ludwig, Alfred

2011-01-01

Combinatorial magnetron sputter deposition from elemental targets was used to create Fe–B composition spread type thin film materials libraries on thermally oxidized 4-in. Si wafers. The materials libraries consisting of wedge-type multilayer thin films were annealed at 500 or 700 °C to transform the multilayers into multiphase alloys. The libraries were characterized by nuclear reaction analysis, Rutherford backscattering, nanoindentation, vibrating sample magnetometry, x-ray diffraction (XRD) and transmission electron microscopy (TEM). Young's modulus and hardness values were related to the annealing parameters, structure and composition of the films. The magnetic properties of the films were improved by annealing in a H2 atmosphere, showing a more than tenfold decrease in the coercive field values in comparison to those of the vacuum-annealed films. The hardness values increased from 8 to 18 GPa when the annealing temperature was increased from 500 to 700 °C. The appearance of Fe2B phases, as revealed by XRD and TEM, had a significant effect on the mechanical properties of the films. PMID:27877435

Improving the Stability and the Pharmaceutical Properties of Norfloxacin Form C Through Binary Complexes with β-Cyclodextrin.

PubMed

Garnero, Claudia; Chattah, Ana Karina; Aloisio, Carolina; Fabietti, Luis; Longhi, Marcela

2018-05-10

Norfloxacin, an antibiotic that exists in different solid forms, has very unfavorable properties in terms of solubility and stability. Binary complexes of norfloxacin, in the solid form C, and β-cyclodextrin were procured by the kneading method and physical mixture. Their effect on the solubility, the dissolution rate, and the chemical and physical stability of norfloxacin was evaluated. To perform stability studies, the solid samples were stored under accelerated storage conditions, for a period of 6 months. Physical stability was monitored through powder X-ray diffraction, high-resolution 13 C solid-state nuclear magnetic resonance, and scanning electron microscopy. The results showed evidence that the kneaded complex increased and modulated the dissolution rate of norfloxacin C. Furthermore, it was demonstrated that the photochemical stability was increased in the complex, without affecting its physical stability. The results point to the conclusion that the new kneading complex of norfloxacin constitutes an alternative tool to formulate a potential oral drug delivery system with improve oral bioavailability.

Vermistatin derivatives with α-glucosidase inhibitory activity from the mangrove endophytic fungus Penicillium sp. HN29-3B1.

PubMed

Liu, Yayue; Xia, Guoping; Li, Hanxiang; Ma, Lin; Ding, Bo; Lu, Yongjun; He, Lei; Xia, Xuekui; She, Zhigang

2014-07-01

Three new vermistatin derivatives, 6-demethylpenisimplicissin (1), 5'-hydroxypenisimplicissin (2), and 2''-epihydroxydihydrovermistatin (3), along with five known vermistatin analogues, methoxyvermistatin (4), vermistatin (5), 6-demethylvermistatin (6), hydroxyvermistatin (7), and penisimplicissin (8), were isolated from the culture of the mangrove endophytic fungus Penicillium sp. HN29-3B1 from Cerbera manghas. Their structures were elucidated mainly by nuclear magnetic resonance spectroscopy. The absolute configurations of compounds 1 and 2 were deduced on the basis of circular dichroism data. The absolute structures of compounds 3 and 5 were confirmed by a single-crystal X-ray diffraction experiment using Cu Kα radiation. In the bioactivity assay, compounds 1 and 3 exhibited α-glucosidase inhibitory activity with IC50 values of 9.5 ± 1.2 and 8.0 ± 1.5 µM, respectively. The plausible biosynthetic pathways for all compounds are discussed. Georg Thieme Verlag KG Stuttgart · New York.

Copolymerization of Glycolide and ɛ-Caprolactone Using 12-Aminolauric Acid Modified Montmorillonite

NASA Astrophysics Data System (ADS)

Gallos, HAV; Reyes, LQ

2017-09-01

Poly(glycolide-co-ɛ-caprolactone) (PGLYCL) nanocomposites were prepared by copolymerization glycolide (GLY) and ɛ-caprolactone (ɛ-CL) in the presence of varying loadings 12-aminolauric acid (12-ALA)-modified montmorillonite. Copolymerization was successfully achieved based on the increase in polymer molecular weight after the reaction determined by gel permeation chromatography (GPC). The amount of the poly(glycolide) block and poly(ɛ-caprolactone) block units in the copolymer, identified by proton nuclear magnetic resonance (1H-NMR) spectroscopy, suggested that the increase in organo-clay loading cause a reduction GLYL: ɛ-CLL ratio. The arrangement of the monomers in the polymer products was elucidated to have an ABA triblock structure, where PCL block is the central block and the PGLY is found at both end of the copolymer. The presence of intercalated and exfoliated silicates in the nanocomposites were observed by x-ray diffraction (XRD) analysis. The biocompatibility of the nanocomposites with NCTC 292 mouse normal fibroblast was high relative to untreated cell cultures using tetrazolium bromide (MTT)-dye reduction assay.

Optical, mechanical and thermal behaviors of Nitrilotriacetic acid single crystal

NASA Astrophysics Data System (ADS)

Deepa, B.; Philominathan, P.

2017-11-01

An organic nonlinear single crystal of Nitrilotriacetic acid (NTAA) was grown for the first time by employing a simple slow evaporation technique. Single crystal X-ray diffraction (XRD) analysis reveals that the grown crystal belongs to the monoclinic system with noncentrosymmetric space group CC. Fourier transform infrared (FTIR) spectral study ascertains the presence of functional groups in NTAA. The molecular structure of the grown crystal was confirmed by Nuclear Magnetic Resonance (NMR) spectral analysis. The optical parameters such as transmittance, absorption coefficient and band gap were calculated from UV-Visible and fluorescence studies. Dielectric measurements were carried out for different frequency and temperature. The mechanical strength of the grown crystal was measured using Vickers microhardness test. The high thermal stability and the melting point of the grown crystal were also estimated using thermogravimetric (TGA) and differential thermal analyses (DTA). The confirmation of the grown crystals belonging to nonlinear optical crystals was performed by Kurtz-Perry technique and found as suitable candidate for optoelectronics applications.

Atomic structure and hierarchical assembly of a cross-β amyloid fibril

PubMed Central

Fitzpatrick, Anthony W. P.; Debelouchina, Galia T.; Bayro, Marvin J.; Clare, Daniel K.; Caporini, Marc A.; Bajaj, Vikram S.; Jaroniec, Christopher P.; Wang, Luchun; Ladizhansky, Vladimir; Müller, Shirley A.; MacPhee, Cait E.; Waudby, Christopher A.; Mott, Helen R.; De Simone, Alfonso; Knowles, Tuomas P. J.; Saibil, Helen R.; Vendruscolo, Michele; Orlova, Elena V.; Griffin, Robert G.; Dobson, Christopher M.

2013-01-01

The cross-β amyloid form of peptides and proteins represents an archetypal and widely accessible structure consisting of ordered arrays of β-sheet filaments. These complex aggregates have remarkable chemical and physical properties, and the conversion of normally soluble functional forms of proteins into amyloid structures is linked to many debilitating human diseases, including several common forms of age-related dementia. Despite their importance, however, cross-β amyloid fibrils have proved to be recalcitrant to detailed structural analysis. By combining structural constraints from a series of experimental techniques spanning five orders of magnitude in length scale—including magic angle spinning nuclear magnetic resonance spectroscopy, X-ray fiber diffraction, cryoelectron microscopy, scanning transmission electron microscopy, and atomic force microscopy—we report the atomic-resolution (0.5 Å) structures of three amyloid polymorphs formed by an 11-residue peptide. These structures reveal the details of the packing interactions by which the constituent β-strands are assembled hierarchically into protofilaments, filaments, and mature fibrils. PMID:23513222

Enhanced inhibition of bacterial biofilm formation and reduced leukocyte toxicity by chloramphenicol:β-cyclodextrin:N-acetylcysteine complex.

PubMed

Aiassa, Virginia; Zoppi, Ariana; Becerra, M Cecilia; Albesa, Inés; Longhi, Marcela R

2016-11-05

The purpose of this study was to improve the physicochemical and biological properties of chloramphenicol (CP) by multicomponent complexation with β-cyclodextrin (β-CD) and N-acetylcysteine (NAC). The present work describes the ability of solid multicomponent complex (MC) to decrease biomass and cellular activity of Staphylococcus by crystal violet and XTT assay, and leukocyte toxicity, measuring the increase of reactive oxygen species by chemiluminescence, and using 123-dihydrorhodamine. In addition, MC was prepared by the freeze-drying or physical mixture methods, and then characterized by scanning electron microscopy and powder X-ray diffraction. Nuclear magnetic resonance and phase solubility studies provided information at the molecular level on the structure of the MC and its association binding constants, respectively. The results obtained allowed us to conclude that MC formation is an effective pharmaceutical strategy that can reduce CP toxicity against leukocytes, while enhancing its solubility and antibiofilm activity. Copyright © 2016. Published by Elsevier Ltd.

Gelatinized wheat starch influences crystallization behaviour and structure of roll-in shortenings in laminated bakery products.

PubMed

Mattice, Kristin D; Marangoni, Alejandro G

2018-03-15

One hydrogenated and one non-hydrogenated shortening were baked with isolated components of a croissant matrix, including crystalline wheat starch, gelatinized wheat starch, gluten, and formed gluten network. The impact of the matrix components on fat crystallization was analyzed for polymorphism using powder X-ray diffraction, solid fat content by pulsed nuclear magnetic resonance and thermal behaviour by differential scanning calorimetry. When compared to results obtained from croissants prepared with the respective shortenings, samples containing gelatinized wheat starch displayed notably similar results: polymorphic conversion, from the β' to β form over storage, and visually broader peaks in the melting endotherms indicating a greater temperature was required to completely melt all of the fat. All other component mixtures behaved similar to the respective fats in bulk. The measured rate of crystallization was greater in samples containing gelatinized wheat starch, indicating that the gelatinized starch could act as a nucleation site to speed crystallization. Copyright © 2017 Elsevier Ltd. All rights reserved.

Synthesis, characterization, and application of novel biodegradable self-assembled 2-(N-phthalimido) ethyl-palmitate nanoparticles for cancer therapy

NASA Astrophysics Data System (ADS)

Kasoju, Naresh; Bora, Debajeet K.; Bhonde, Ramesh R.; Bora, Utpal

2010-03-01

We report the synthesis of novel biodegradable nanoparticles (NPs) which can kill the cancer cells without any additional drug loading. The NP was a self-assembled form of a phthalimide based conjugate, in which the phthalimide moiety was responsible for the anticancer activity. We describe the synthesis of a novel 2-(N-phthalimido) ethyl palmitate (PHEP-Pal) conjugate and subsequent preparation of NPs by a simple self assembly process. The successful synthesis of conjugate was confirmed by various characterization studies including nuclear magnetic resonance spectroscope, Fourier transform infrared spectroscope, TOF-liquid chromatography mass spectroscope, differential scanning calorimetry, and X-ray diffraction unit. The synthesis, shape, size, and size distribution of PHEP-Pal NPs were determined by transmission electron microscope, atomic force microscope, and dynamic light scattering technique. Finally, cell culture studies using A549 and HeLa cells were done to evaluate the anticancer effect of PHEP-Pal NPs, which demonstrated the potency of these NPs for use in cancer chemotherapy.

Synthesis and Analysis of the Structure, Diffusion and Cytotoxicity of Heterocyclic Platinum(IV) Complexes.

PubMed

Macias, Freddy J; Deo, Krishant M; Pages, Benjamin J; Wormell, Paul; Clegg, Jack K; Zhang, Yingjie; Li, Feng; Zheng, Gang; Sakoff, Jennette; Gilbert, Jayne; Aldrich-Wright, Janice R

2015-11-16

We have developed six dihydroxidoplatinum(IV) compounds with cytotoxic potential. Each derived from active platinum(II) species, these complexes consist of a heterocyclic ligand (HL) and ancillary ligand (AL) in the form [Pt(HL)(AL)(OH)2](2+), where HL is a methyl-functionalised variant of 1,10-phenanthroline and AL is the S,S or R,R isomer of 1,2-diaminocyclohexane. NMR characterisation and X-ray diffraction studies clearly confirmed the coordination geometry of the octahedral platinum(IV) complexes. The self-stacking of these complexes was determined using pulsed gradient stimulated echo nuclear magnetic resonance. The self-association behaviour of square planar platinum(II) complexes is largely dependent on concentration, whereas platinum(IV) complexes do not aggregate under the same conditions, possibly due to the presence of axial ligands. The cytotoxicity of the most active complex, exhibited in several cell lines, has been retained in the platinum(IV) form. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Infrared spectroscopy as a tool to characterise starch ordered structure--a joint FTIR-ATR, NMR, XRD and DSC study.

PubMed

Warren, Frederick J; Gidley, Michael J; Flanagan, Bernadine M

2016-03-30

Starch has a heterogeneous, semi-crystalline granular structure and the degree of ordered structure can affect its behaviour in foods and bioplastics. A range of methodologies are employed to study starch structure; differential scanning calorimetry, (13)C nuclear magnetic resonance, X-ray diffraction and Fourier transform infrared spectroscopy (FTIR). Despite the appeal of FTIR as a rapid, non-destructive methodology, there is currently no systematically defined quantitative relationship between FTIR spectral features and other starch structural measures. Here, we subject 61 starch samples to structural analysis, and systematically correlate FTIR spectra with other measures of starch structure. A hydration dependent peak position shift in the FTIR spectra of starch is observed, resulting from increased molecular order, but with complex, non-linear behaviour. We demonstrate that FTIR is a tool that can quantitatively probe short range interactions in starch structure. However, the assumptions of linear relationships between starch ordered structure and peak ratios are overly simplistic. Copyright © 2015 Elsevier Ltd. All rights reserved.

Synthesis and characterization of functionalized CNTs using soya and milk protein

NASA Astrophysics Data System (ADS)

saxena, Sanjay; ranu, Rachana; Hait, Chandan; Priya, Shruti

2014-10-01

Nanotechnology is the study of the phenomenon and manipulation of matter at atomic and molecular scale to enhance their older property and generate several new properties. Carbon nanotubes (CNTs) are one of the most commonly mentioned building blocks of nanotechnology. CNTs are very prevalent in today's world of medical research and are being highly researched in the fields of efficient drug delivery and bio sensing methods for disease treatment and health monitoring. There are number of methods for synthesizing CNTs. This is a biological method for synthesis of CNTs in which protein is used as carbon source and amino acids present in protein form complex with metal salt. The CNTs synthesized are then characterized and functionalized using techniques such as transmission electron microscopy, Fourier transform infra-red, nuclear magnetic resonance, ultra-violet visible spectroscopy, X-ray diffraction, etc. The properties of the synthesized CNTs are studied with the help of techniques such as thermo-gravimetric analysis, differential thermal analysis, and vibrating sample magnetometer, etc.

Gelator-polysaccharide hybrid hydrogel for selective and controllable dye release.

PubMed

Li, Ping; Dou, Xiao-Qiu; Tang, Yi-Tian; Zhu, Shenmin; Gu, Jiajun; Feng, Chuan-Liang; Zhang, Di

2012-12-01

In this paper, 1,4-bi(phenylalanine-diglycol)-benzene (PDB) based Low-Molecular-Weight-Gelator (LMWG) hydrogels are modified using hydrophilic polysaccharide (sodium alginate). A set of techniques including Fourier transform infrared (FT-IR) spectroscopy, (1)H Nuclear Magnetic Resonance ((1)H NMR), X-ray powder diffraction (XRD), Ultraviolet-Visible (UV-Vis), and circular dichroism (CD) had confirmed a β-turn arrangement of PDB gelators and a semi-interpenetrating network (semi-IPN), which was formed through hydrogen bonds between LMWG fibers and polysaccharide chains. The evaluation of physicochemical properties of hydrogels indicates that gelator-polysaccharide hybrid hydrogels possess better mechanical and water retention properties than LMWG hydrogels. The release study of dyes (model drug) from both LMWG and hybrid hydrogels was carried out. Compared with PDB based hydrogels, hybrid hydrogels show a selective and controllable release property for certain dyes. The results suggest LMWG-polysaccharide hybrid gels may find potential applications as promising drug delivery vehicles for drug molecules. Copyright © 2012 Elsevier Inc. All rights reserved.

Synthesis, surface chemistry and pseudocapacitance mechanisms of VN nanocrystals derived by a simple two-step halide approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Choi, Daiwon; Jampani, Prashanth H.; Jayakody, J. R. P.

Chloroamide precursors generated via a simple two-step ammonolysis reaction of transition metal chloride in the liquid phase at room temperature were heat treated in ammonia at moderate temperature to yield nano-sized VN crystallites. Grain growth inhibited by lowering the synthesis temperature (≈400°C) yielded agglomerated powders of spherical crystallites of cubic phase of VN with particle sizes as small as 6nm in diameter. X-ray diffraction, FTIR, mass spectroscopy (MS), and nuclear magnetic resonance (NMR) spectroscopy assessed the ammonolysis and nitridation reaction of the VCl 4-NH 3 system. X-ray Rietveld refinement, the BET technique and high-resolution transmission microscopy (HRTEM), energy dispersive x-raymore » (EDX) and thermogravimetric analysis (TGA) helped assess the crystallographic and microstructural nature of the VN nanocrystals. The surface chemistry and redox reaction leading to the gravimetric pseudo-capacitance value of (≈855 F/g) measured for the VN nanocrystals was determined and validated using FTIR, XPS and cyclic voltammetry analyses.« less

In Situ Molecular Spectroscopic Evidence for CO2 Intercalation into Montmorillonite in Supercritical Carbon Dioxide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Loring, John S.; Schaef, Herbert T.; Turcu, Romulus VF

2012-04-25

The interaction of anhydrous supercritical CO2 (scCO2) with both kaolinite and ~1W (i.e. close to but less than one layer of hydration) calcium-saturated montmorillonite was investigated under conditions relevant to geologic carbon sequestration (50 °C and 90 bar). The CO2 molecular environment was probed in situ using a combination of three novel high-pressure techniques: X-ray diffraction, magic angle spinning nuclear magnetic resonance spectroscopy and attenuated total reflection infrared spectroscopy. We report the first direct evidence that the expansion of montmorillonite under scCO2 conditions is due to CO2 migration into the interlayer. Intercalated CO2 molecules are rotationally constrained and do notmore » appear to react with waters to form bicarbonate or carbonic acid. In contrast, CO2 does not intercalate into kaolinite. The findings show that predicting the seal integrity of caprock will have complex dependence on clay mineralogy and hydration state.« less

Local Structural Investigations, Defect Formation, and Ionic Conductivity of the Lithium Ionic Conductor Li 4 P 2 S 6

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dietrich, Christian; Sadowski, Marcel; Sicolo, Sabrina

Glassy, glass–ceramic, and crystalline lithium thiophosphates have attracted interest in their use as solid electrolytes in all-solid-state batteries. Despite similar structural motifs, including PS 4 3–, P 2S 6 4–, and P 2S 7 4– polyhedra, these materials exhibit a wide range of possible compositions, crystal structures, and ionic conductivities. Here, we present a combined approach of Bragg diffraction, pair distribution function analysis, Raman spectroscopy, and 31P magic angle spinning nuclear magnetic resonance spectroscopy to study the underlying crystal structure of Li 4P 2S 6. In this work, we show that the material crystallizes in a planar structural arrangement asmore » a glass ceramic composite, explaining the observed relatively low ionic conductivity, depending on the fraction of glass content. Calculations based on density functional theory provide an understanding of occurring diffusion pathways and ionic conductivity of this Li + ionic conductor.« less

Enhanced materials from nature: nanocellulose from citrus waste.

PubMed

Mariño, Mayra; Lopes da Silva, Lucimara; Durán, Nelson; Tasic, Ljubica

2015-04-03

Nanocellulose is a relatively inexpensive, highly versatile bio-based renewable material with advantageous properties, including biodegradability and nontoxicity. Numerous potential applications of nanocellulose, such as its use for the preparation of high-performance composites, have attracted much attention from industry. Owing to the low energy consumption and the addition of significant value, nanocellulose extraction from agricultural waste is one of the best alternatives for waste treatment. Different techniques for the isolation and purification of nanocellulose have been reported, and combining these techniques influences the morphology of the resultant fibers. Herein, some of the extraction routes for obtaining nanocellulose from citrus waste are addressed. The morphology of nanocellulose was determined by Scanning Electron Microscopy (SEM) and Field Emission Scanning Electron Microscopy (FESEM), while cellulose crystallinity indexes (CI) from lyophilized samples were determined using solid-state Nuclear Magnetic Resonance (NMR) and X-Ray Diffraction (XRD) measurements. The resultant nanofibers had 55% crystallinity, an average diameter of 10 nm and a length of 458 nm.

Structure and hydration of membranes embedded with voltage-sensing domains.

PubMed

Krepkiy, Dmitriy; Mihailescu, Mihaela; Freites, J Alfredo; Schow, Eric V; Worcester, David L; Gawrisch, Klaus; Tobias, Douglas J; White, Stephen H; Swartz, Kenton J

2009-11-26

Despite the growing number of atomic-resolution membrane protein structures, direct structural information about proteins in their native membrane environment is scarce. This problem is particularly relevant in the case of the highly charged S1-S4 voltage-sensing domains responsible for nerve impulses, where interactions with the lipid bilayer are critical for the function of voltage-activated ion channels. Here we use neutron diffraction, solid-state nuclear magnetic resonance (NMR) spectroscopy and molecular dynamics simulations to investigate the structure and hydration of bilayer membranes containing S1-S4 voltage-sensing domains. Our results show that voltage sensors adopt transmembrane orientations and cause a modest reshaping of the surrounding lipid bilayer, and that water molecules intimately interact with the protein within the membrane. These structural findings indicate that voltage sensors have evolved to interact with the lipid membrane while keeping energetic and structural perturbations to a minimum, and that water penetrates the membrane, to hydrate charged residues and shape the transmembrane electric field.

Structure and hydration of membranes embedded with voltage-sensing domains

PubMed Central

Krepkiy, Dmitriy; Mihailescu, Mihaela; Freites, J. Alfredo; Schow, Eric V.; Worcester, David L.; Gawrisch, Klaus; Tobias, Douglas; White, Stephen H.; Swartz, Kenton J.

2009-01-01

Despite the growing number of atomic-resolution membrane protein structures, direct structural information about proteins in their native membrane environment is scarce. This problem is particularly relevant in the case of the highly-charged S1–S4 voltage-sensing domains responsible for nerve impulses, where interactions with the lipid bilayer are critical for the function of voltage-activated potassium channels. Here we use neutron diffraction, solid-state nuclear magnetic resonance spectroscopy, and molecular dynamics simulations to investigate the structure and hydration of bilayer membranes containing S1–S4 voltage-sensing domains. Our results show that voltage sensors adopt transmembrane orientations, cause a modest reshaping of the surrounding lipid bilayer, and that water molecules intimately interact with the protein within the membrane. These structural findings reveal that voltage sensors have evolved to interact with the lipid membrane while keeping the energetic and structural perturbations to a minimum, and that water penetrates into the membrane to hydrate charged residues and shape the transmembrane electric field. PMID:19940918

A Neutron View of Proteins in Lipid Bilayers

NASA Astrophysics Data System (ADS)

White, Stephen

2012-02-01

Despite the growing number of atomic-resolution membrane protein structures, direct structural information about proteins in their native membrane environment is scarce. This problem is particularly relevant in the case of the highly-charged S1-S4 voltage- sensing domains responsible for nerve impulses, where interactions with the lipid bilayer are critical for the function of voltage-activated potassium channels. We have used neutron diffraction, solid-state nuclear magnetic resonance spectroscopy, and molecular dynamics simulations to investigate the structure and hydration of bilayer membranes containing S1-S4 voltage-sensing domains. Our results show that voltage sensors adopt transmembrane orientations, cause a modest reshaping of the surrounding lipid bilayer, and that water molecules intimately interact with the protein within the membrane. These structural findings reveal that voltage sensors have evolved to interact with the lipid membrane while keeping the energetic and structural perturbations to a minimum, and that water penetrates into the membrane to hydrate charged residues and shape the transmembrane electric field.

Temperature- and pressure-dependent structural transformation of methane hydrates in salt environments

NASA Astrophysics Data System (ADS)

Shin, Donghoon; Cha, Minjun; Yang, Youjeong; Choi, Seunghyun; Woo, Yesol; Lee, Jong-Won; Ahn, Docheon; Im, Junhyuck; Lee, Yongjae; Han, Oc Hee; Yoon, Ji-Ho

2017-03-01

Understanding the stability of volatile species and their compounds under various surface and subsurface conditions is of great importance in gaining insights into the formation and evolution of planetary and satellite bodies. We report the experimental results of the temperature- and pressure-dependent structural transformation of methane hydrates in salt environments using in situ synchrotron X-ray powder diffraction, solid-state nuclear magnetic resonance, and Raman spectroscopy. We find that under pressurized and concentrated brine solutions methane hydrate forms a mixture of type I clathrate hydrate, ice, and hydrated salts. Under a low-pressure condition, however, the methane hydrates are decomposed through a rapid sublimation of water molecules from the surface of hydrate crystals, while NaCl · 2H2O undergoes a phase transition into a crystal growth of NaCl via the migration of salt ions. In ambient pressure conditions, the methane hydrate is fully decomposed in brine solutions at temperatures above 252 K, the eutectic point of NaCl · 2H2O.

Hydration of Portland cement with additions of calcium sulfoaluminates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Le Saout, Gwenn, E-mail: gwenn.le-saout@mines-ales.fr; Lothenbach, Barbara; Hori, Akihiro

2013-01-15

The effect of mineral additions based on calcium aluminates on the hydration mechanism of ordinary Portland cement (OPC) was investigated using isothermal calorimetry, thermal analysis, X-ray diffraction, scanning electron microscopy, solid state nuclear magnetic resonance and pore solution analysis. Results show that the addition of a calcium sulfoaluminate cement (CSA) to the OPC does not affect the hydration mechanism of alite but controls the aluminate dissolution. In the second blend investigated, a rapid setting cement, the amorphous calcium aluminate reacts very fast to ettringite. The release of aluminum ions strongly retards the hydration of alite but the C-S-H has amore » similar composition as in OPC with no additional Al to Si substitution. As in CSA-OPC, the aluminate hydration is controlled by the availability of sulfates. The coupling of thermodynamic modeling with the kinetic equations predicts the amount of hydrates and pore solution compositions as a function of time and validates the model in these systems.« less

Effect of solution plasma process with bubbling gas on physicochemical properties of chitosan.

PubMed

Ma, Fengming; Li, Pu; Zhang, Baiqing; Zhao, Xin; Fu, Qun; Wang, Zhenyu; Gu, Cailian

2017-05-01

In the present work, solution plasma process (SPP) with bubbling gas was used to prepare oligochitosan. The effect of SPP irradiation with bubbling gas on the degradation of chitosan was evaluated by the intrinsic viscosity reduction rate and the degradation kinetic. The formation of OH radical was studied. Changes of the physicochemical properties of chitosan were measured by scanning electron microscopy, X-ray diffraction, and thermogravimetric analysis, as well as ultraviolet-visible, Fourier-transform infrared, and 13 C nuclear magnetic resonance spectroscopy. The results indicated an obvious decrease in the intrinsic viscosity reduction rate after SPP irradiation with bubbling gas, and that the rate with bubbling was higher than that without. The main chemical structure of chitosan remained intact after irradiation, but changes in the morphology, crystallinity, and thermal stability of oligochitosan were observed. In particular, the crystallinity and thermal stability tended to decrease. The present study indicated that SPP can be effectively used for the degradation of chitosan. Copyright © 2017. Published by Elsevier B.V.

Extraction and Physicochemical Characterization of a New Polysaccharide Obtained from the Fresh Fruits of Abelmoschus Esculentus

PubMed Central

Emeje, Martins; Isimi, Christiana; Byrn, Stephen; Fortunak, Joseph; Kunle, Olobayo; Ofoefule, Sabinus

2011-01-01

This paper is the first multi-scale characterization of the fluidize-dried gum extracted from the fresh fruits of the plant Abelmoschus esculentus. It describes the physical, thermal, sorptional and functional properties of this natural gum. Elemental analysis, scanning electron microscopy (SEM), particle size analysis, X-ray powder diffraction (XPRD), thermo-gravimetric analysis (TGA), differential scanning calorimetry (DSC), fourier transmittance infra red (FT-IR), and nuclear magnetic resonance (NMR) spectroscopy were used to characterize the gum sample. Abelmoschus Esculentus Gum (AEG) had a glass transition temperature (Tg) of 70°C and no melting peak. It showed a 14.91% loss in weight at 195°C. X-ray diffractogram showed numerous broad halos for AEG. Elemental analysis showed that AEG contains 39.5, 7.3, 51.8, and 1.4% carbon, hydrogen, oxygen and nitrogen respectively. The results obtained in this study established the fundamental characteristics of AEG and suggests its potential application in the food, cosmetic and pharmaceutical sectors. PMID:24250349

A compact, high temperature nuclear magnetic resonance probe for use in a narrow-bore superconducting magnet

NASA Astrophysics Data System (ADS)

Adler, Stuart B.; Michaels, James N.; Reimer, Jeffrey A.

1990-11-01

The design of a nuclear magnetic resonance (NMR) probe is reported, that can be used in narrow-bore superconducting solenoids for the observation of nuclear induction at high temperatures. The probe is compact, highly sensitive, and stable in continuous operation at temperatures up to 1050 C. The essential feature of the probe is a water-cooled NMR coil that contains the sample-furnace; this design maximizes sensitivity and circuit stability by maintaining the probe electronics at ambient temperature. The design is demonstrated by showing high temperature O-17 NMR spectra and relaxation measurements in solid barium bismuth oxide and yttria-stabilized zirconia.

Rotating-frame gradient fields for magnetic resonance imaging and nuclear magnetic resonance in low fields

DOEpatents

Bouchard, Louis-Serge; Pines, Alexander; Demas, Vasiliki

2014-01-21

A system and method for Fourier encoding a nuclear magnetic resonance (NMR) signal is disclosed. A static magnetic field B.sub.0 is provided along a first direction. An NMR signal from the sample is Fourier encoded by applying a rotating-frame gradient field B.sub.G superimposed on the B.sub.0, where the B.sub.G comprises a vector component rotating in a plane perpendicular to the first direction at an angular frequency .omega.in a laboratory frame. The Fourier-encoded NMR signal is detected.

Heart MRI

MedlinePlus

Magnetic resonance imaging - cardiac; Magnetic resonance imaging - heart; Nuclear magnetic resonance - cardiac; NMR - cardiac; MRI of the heart; Cardiomyopathy - MRI; Heart failure - MRI; Congenital heart disease - MRI

Nanoscale NMR spectroscopy and imaging of multiple nuclear species.

PubMed

DeVience, Stephen J; Pham, Linh M; Lovchinsky, Igor; Sushkov, Alexander O; Bar-Gill, Nir; Belthangady, Chinmay; Casola, Francesco; Corbett, Madeleine; Zhang, Huiliang; Lukin, Mikhail; Park, Hongkun; Yacoby, Amir; Walsworth, Ronald L

2015-02-01

Nuclear magnetic resonance (NMR) spectroscopy and magnetic resonance imaging (MRI) provide non-invasive information about multiple nuclear species in bulk matter, with wide-ranging applications from basic physics and chemistry to biomedical imaging. However, the spatial resolution of conventional NMR and MRI is limited to several micrometres even at large magnetic fields (>1 T), which is inadequate for many frontier scientific applications such as single-molecule NMR spectroscopy and in vivo MRI of individual biological cells. A promising approach for nanoscale NMR and MRI exploits optical measurements of nitrogen-vacancy (NV) colour centres in diamond, which provide a combination of magnetic field sensitivity and nanoscale spatial resolution unmatched by any existing technology, while operating under ambient conditions in a robust, solid-state system. Recently, single, shallow NV centres were used to demonstrate NMR of nanoscale ensembles of proton spins, consisting of a statistical polarization equivalent to ∼100-1,000 spins in uniform samples covering the surface of a bulk diamond chip. Here, we realize nanoscale NMR spectroscopy and MRI of multiple nuclear species ((1)H, (19)F, (31)P) in non-uniform (spatially structured) samples under ambient conditions and at moderate magnetic fields (∼20 mT) using two complementary sensor modalities.

Electric field effects on nuclear magnetic shielding of the 1:1 and 2:1 (homo and heterochiral) complexes of XOOX' (X, X' = H, CH3) with lithium cation and their chiral discrimination.

PubMed

Alkorta, Ibon; Elguero, José; Provasi, Patricio F; Pagola, Gabriel I; Ferraro, Marta B

2011-09-14

The set of 1:1 and 2:1 complexes of XOOX' (X, X' = H, CH(3)) with lithium cation has been studied to determine if they are suitable candidates for chiral discrimination in an isotropic medium via nuclear magnetic resonance spectroscopy. Conventional nuclear magnetic resonance is unable to distinguish between enantiomers in the absence of a chiral solvent. The criterion for experimental detection is valuated by the isotropic part of nuclear shielding polarisability tensors, related to a pseudoscalar of opposite sign for two enantiomers. The study includes calculations at coupled Hartree-Fock and density functional theory schemes for (17)O nucleus in each compound. Additional calculations for (1)H are also included for some compounds. A huge static homogeneous electric field, perpendicular to the magnetic field of the spectromer, as big as ≈1.7 × 10(8) V m(-1) should be applied to observe a shift of ≈1 ppm for (17)O magnetic shielding in the proposed set of complexes. © 2011 American Institute of Physics

Quantum fluctuations of a fullerene cage modulate its internal magnetic environment.

PubMed

Kawatsu, Tsutomu; Tachikawa, Masanori

2018-01-17

To investigate the effect of quantum fluctuations on the magnetic environment inside a C 60 fullerene cage, we have calculated the nuclear magnetic shielding constant of protons in H 2 @C 60 and HD@C 60 systems by on-the-fly ab initio path integral simulation, including both thermal and nuclear quantum effects. The most dominant upfield from an isolated hydrogen molecule occurs due to the diamagnetic current of the C 60 cage, which is partly cancelled by the paramagnetic current, where the paramagnetic contribution is enlarged by the zero-point vibrational fluctuation of the C 60 carbon backbone structure via a widely distributed HOMO-LUMO gap. This quantum modulation mechanism of the nuclear magnetic shielding constant is newly proposed. Because this quantum effect is independent of the difference between H 2 and HD, the H 2 /HD isotope shift occurs in spite of the C 60 cage. The nuclear magnetic constants computed for H 2 @C 60 and HD@C 60 are 32.047 and 32.081 ppm, respectively, which are in reasonable agreement with the corresponding values of 32.19 and 32.23 ppm estimated from the experimental values of the chemical shifts.

Computer simulation of magnetic resonance spectra employing homotopy.

PubMed

Gates, K E; Griffin, M; Hanson, G R; Burrage, K

1998-11-01

Multidimensional homotopy provides an efficient method for accurately tracing energy levels and hence transitions in the presence of energy level anticrossings and looping transitions. Herein we describe the application and implementation of homotopy to the analysis of continuous wave electron paramagnetic resonance spectra. The method can also be applied to electron nuclear double resonance, electron spin echo envelope modulation, solid-state nuclear magnetic resonance, and nuclear quadrupole resonance spectra. Copyright 1998 Academic Press.

Mössbauer Magnetic Scan experiments

NASA Astrophysics Data System (ADS)

Pasquevich, G. A.; Mendoza Zélis, P.; Lencina, A.; Veiga, A.; Fernández van Raap, M. B.; Sánchez, F. H.

2014-06-01

We report an application of the Mössbauer Effect designed to retrieve specific information on the magnetic response of iron-containing materials. It consists in the measurement of the nuclear absorption of gamma-rays as a function of an external magnetic field for a specific nuclear transition between magnetically-split nuclear levels. The experiments, here termed Mössbauer Magnetic Scan experiments, were carried out recording the absorption of 57Fe 14.4 keV gamma-ray in α-Fe at constant Doppler energies coincident with some of the spectral lines of the magnetically split Mössbauer spectrum. Due to the dependence of the transition probabilities on the relative orientation between the nuclear magnetic moment and the gamma-ray direction, the present application results in a useful method to study the magnetic-field evolution of the distribution of atomic-magnetic-moment orientations. The proposed technique inherit from the Mössbauer Spectroscopy the chemical-element selectiveness as well as the ability to differentiate responses from iron atoms located at inequivalent site or at different phases. In this work, we show that the data analysis for these experiments depends on the sample thickness that the gamma-ray has to cross. For thin samples (i.e.samples with Mössbauer effective thicknesses lower than one) the magnetic-field dependence of the second-order-moment of the orientation distribution in the direction of the gamma ray is obtained. On the other hand, for thicker samples, although the data analysis is more complex, the dependences of the three second-order-moments of the orientation distribution are obtained. The experiments were performed on two α-Fe foils of different Mössbauer effective thicknesses. They were chosen to represent the cases of thin and thick Mössbauer absorbers. The magnetic evolution of the orientations distribution is compared with results obtained from magnetometric measurements showing a good agreement as well indicating the complementarity of both techniques. A complete description of the experimental set up and the formalism for Mössbauer Magnetic Scan data analysis are presented.

Synthesis and magnetic properties of nickel nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singh, Jaiveer, E-mail: jaiveer24singh@gmail.com, E-mail: netramkaurav@yahoo.co.uk; Patel, Tarachand; Okram, Gunadhor S.

2016-05-23

Monodisperse nickel nanoparticles (Ni-NPs) were synthesized via a thermal decomposition process. The NPs were characterized by X-ray diffraction (XRD) and transmission electron microscopy (TEM). They were spherical with mean diameter of 4 nm. Zero field cooled (ZFC) and field cooled (FC) magnetization versus temperature data displayed interesting magnetic interactions. ZFC showed a peak at 4.49 K, indicating the super paramagnetic behavior. Magnetic anisotropic constant was estimated to be 4.62×10{sup 5} erg/cm{sup 3} and coercive field was 168 Oe at 3 K.

Notes and Discussion

ERIC Educational Resources Information Center

American Journal of Physics, 1978

1978-01-01

Describes experiments demonstrating the Josephson effect, single-file diffusion in biological membranes, refractive index of beer, lines of magnetic fields, indexing diffraction patterns, Maxwell's equations, and spherical aberration. (SL)

Characterization of nanodimensional Ni-Zn ferrite prepared by mechanochemical and thermal methods

NASA Astrophysics Data System (ADS)

Manova, E.; Paneva, D.; Kunev, B.; Rivière, E.; Estournès, C.; Mitov, I.

2010-03-01

Nickel zinc ferrite nanoparticles, Ni1-xZnxFe2O4 (x = 0, 0.2, 0.5, 0.8, 1.0), with dimensions below 10 nm have been prepared by combining chemical precipitation with high-energy ball milling. For comparison, their analogues obtained by thermal synthesis have also been studied. Mössbauer spectroscopy, X-ray diffraction, and magnetic measurements are used for the characterization of the obtained materials. X-ray diffraction shows that after 3h of mechanical treatment ferrites containing zinc are formed, while 6h of treatment is needed to obtain NiFe2O4. The magnetic properties of the samples exhibit a strong dependence on the phase composition, particle size and preparation method.

Large-scale synthesis of monodisperse magnesium ferrite via an environmentally friendly molten salt route.

PubMed

Lou, Zhengsong; He, Minglong; Wang, Ruikun; Qin, Weiwei; Zhao, Dejian; Chen, Changle

2014-02-17

Sub-micrometer-sized magnesium ferrite spheres consisting of uniform small particles have been prepared using a facile, large-scale solid-state reaction employing a molten salt technique. Extensive structural characterization of the as-prepared samples has been performed using scanning electron microscope, transmission electron microscopy, high-resolution transmission electron microscopy, selected area electron diffraction, and X-ray diffraction. The yield of the magnesium ferrite sub-micrometer spheres is up to 90%, and these sub-micrometer spheres are made up of square and rectangular nanosheets. The magnetic properties of magnesium ferrite sub-micrometer spheres are investigated, and the magnetization saturation value is about 24.96 emu/g. Moreover, the possible growth mechanism is proposed based on the experimental results.

Measurement of Neutrino-Induced Coherent Pion Production and the Diffractive Background in MINERvA

NASA Astrophysics Data System (ADS)

Gomez, Alicia; Minerva Collaboration

2015-04-01

Neutrino-induced coherent charged pion production is a unique neutrino-nucleus scattering process in which a muon and pion are produced while the nucleus is left in its ground state. The MINERvA experiment has made a model-independent differential cross section measurement of this process on carbon by selecting events with a muon and a pion, no evidence of nuclear break-up, and small momentum transfer to the nucleus | t | . A similar process which is a background to the measurement on carbon is diffractive pion production off the free protons in MINERvA's scintillator. This process is not modeled in the neutrino event generator GENIE. At low | t | these events have a similar final state to the aforementioned process. A study to quantify this diffractive event contribution to the background is done by emulating these diffractive events by reweighting all other GENIE-generated background events to the predicted | t | distribution of diffractive events, and then scaling to the diffractive cross section.

Magnetic anisotropy and spin-flop transition of NiWO4 single crystals

NASA Astrophysics Data System (ADS)

Liu, C. B.; He, Z. Z.; Liu, Y. J.; Chen, R.; Shi, M. M.; Zhu, H. P.; Dong, C.; Wang, J. F.

2017-12-01

NiWO4 exhibits a spin chain structure built by magnetic Ni2+ ions, which may be considered as a one dimensional S = 1 system. In this work, large-sized single crystals of NiWO4 were successfully synthesized by a flux method and the crystal quality was confirmed by X-ray diffraction. Magnetic properties of obtained single crystals were studied by means of magnetic susceptibility and high field magnetization along crystallographic axes. The results demonstrate that NiWO4 is highly magnetic anisotropic and possesses a three-dimensional long range ordering below 60 K, where a spin flop transition can be observed at 17.5 T in applied magnetic fields along the magnetic easy axis (c-axis).

Generation of ultra-long pure magnetization needle and multiple spots by phase modulated doughnut Gaussian beam

NASA Astrophysics Data System (ADS)

Udhayakumar, M.; Prabakaran, K.; Rajesh, K. B.; Jaroszewicz, Z.; Belafhal, Abdelmajid; Velauthapillai, Dhayalan

2018-06-01

Based on vector diffraction theory and inverse Faraday effect (IFE), the light induced magnetization distribution of a tightly focused azimuthally polarized doughnut Gaussian beam superimposed with a helical phase and modulated by an optimized multi belt complex phase filter (MBCPF) is analysed numerically. It is noted that by adjusting the radii of different rings of the complex phase filter, one can achieve many novel magnetization focal distribution such as sub wavelength scale (0.29λ) and super long (52.2λ) longitudinal magnetic probe suitable for all optical magnetic recording and the formation of multiple magnetization chain with four, six and eight sub-wavelength spherical magnetization spots suitable for multiple trapping of magnetic particles are achieved.

Structure and properties of α-NaFeO{sub 2}-type ternary sodium iridates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baroudi, Kristen, E-mail: kbaroudi@princeton.edu; Yim, Cindi; Wu, Hui

2014-02-15

The synthesis, structure, and elementary magnetic and electronic properties are reported for layered compounds of the type Na{sub 3−x}MIr{sub 2}O{sub 6} and Na{sub 3−x}M{sub 2}IrO{sub 6}, where M is a transition metal from the 3d series (M=Zn, Cu, Ni, Co, Fe and Mn). The rhombohedral structures, in space group R−3m, were determined by refinement of neutron and synchrotron powder diffraction data. No clear evidence for long range 2:1 or 1:2 honeycomb-like M/Ir ordering was found in the neutron powder diffraction patterns except in the case of M=Zn, and thus in general the compounds are best designated as sodium deficient α-NaFeO{submore » 2}-type phases with formulas Na{sub 1−x}M{sub 1/3}Ir{sub 2/3}O{sub 2} or Na{sub 1−x}M{sub 2/3}Ir{sub 1/3}O{sub 2}. Synchrotron powder diffraction patterns indicate that several of the compounds likely have honeycomb in-plane metal–iridium ordering with disordered stacking of the layers. All the compounds are sodium deficient under our synthetic conditions and are black and insulating. Weiss constants derived from magnetic susceptibility measurements indicate that Na{sub 0.62}Mn{sub 0.61}Ir{sub 0.39}O{sub 2}, Na{sub 0.80}Fe{sub 2/3}Ir{sub 1/3}O{sub 2}, Na{sub 0.92}Ni{sub 1/3}Ir{sub 2/3}O{sub 2}, Na{sub 0.86}Cu{sub 1/3}Ir{sub 2/3}O{sub 2}, and Na{sub 0.89}Zn{sub 1/3}Ir{sub 2/3}O{sub 2} display dominant antiferromagnetic interactions. For Na{sub 0.90}Co{sub 1/3}Ir{sub 2/3}O{sub 2} the dominant magnetic interactions at low temperature are ferromagnetic while at high temperatures they are antiferromagnetic; there is also a change in the effective moment. Low temperature specific heat measurements (to 2 K) on Na{sub 0.92}Ni{sub 1/3}Ir{sub 2/3}O{sub 2} indicate the presence of a broad magnetic ordering transition. X-ray absorption spectroscopy shows that iridium is at or close to the 4+ oxidation state in all compounds. {sup 23}Na nuclear magnetic resonance measurements comparing Na{sub 2}IrO{sub 3} to Na{sub 0.92}Ni{sub 1/3}Ir{sub 2/3}O{sub 2} and Na{sub 0.89}Zn{sub 1/3}Ir{sub 2/3}O{sub 2} provide strong indications that the electron spins are short-range ordered in the latter two materials. Na{sub 0.62}Mn{sub 0.61}Ir{sub 0.39}O{sub 2}, Na{sub 0.80}Fe{sub 2/3}Ir{sub 1/3}O{sub 2}, Na{sub 0.90}Co{sub 1/3}Ir{sub 2/3}O{sub 2}, Na{sub 0.92}Ni{sub 1/3}Ir{sub 2/3}O{sub 2}, Na{sub 0.86}Cu{sub 1/3}Ir{sub 2/3}O{sub 2} and Na{sub 0.89}Zn{sub 1/3}Ir{sub 2/3}O{sub 2} are spin glasses. (CSD-numbers: Na{sub 0.62}Mn{sub 0.61}Ir{sub 0.39}O{sub 2}: 426657, Na{sub 0.80}Fe{sub 2/3}Ir{sub 1/3}O{sub 2}: 426659, Na{sub 0.90}Co{sub 1/3}Ir{sub 2/3}O{sub 2}: 426658, Na{sub 0.92}Ni{sub 1/3}Ir{sub 2/3}O{sub 2}: 426656, Na{sub 0.86}Cu{sub 1/3}Ir{sub 2/3}O{sub 2}: 426655, and Na{sub 2.8}ZnIr{sub 2}O{sub 6}: 426660.) - Graphical abstract: Diffraction patterns of Na{sub 0.92}Ni{sub 1/3}Ir{sub 2/3}O{sub 2}, Na{sub 0.86}Cu{sub 1/3}Ir{sub 2/3}O{sub 2} and Na{sub 0.89}Zn{sub 1/3}Ir{sub 2/3}O{sub 2}: neutron diffraction patterns in the main panel and synchrotron diffraction in the insets. The patterns show a small amount of ordering in the transition metal iridium layer. Display Omitted - Highlights: • We report six ternary sodium iridates with the α-NaFeO{sub 2} structure. • Compounds Na{sub 1−x}M{sub 1/3}Ir{sub 2/3}O{sub 2}, M=Co, Ni, Cu, Zn and Na{sub 1−x}M{sub 2/3}Ir{sub 1/3}O{sub 2}, M=Mn, Fe. • Rietveld refinement of powder neutron diffraction data. • All compounds are spin glasses. • NMR comparison to Na{sub 2}IrO{sub 3}.« less

An Accessible Two-Dimensional Solution Nuclear Magnetic Resonance Experiment on Human Ubiquitin

ERIC Educational Resources Information Center

Rovnyak, David; Thompson, Laura E.

2005-01-01

Solution-state nuclear magnetic resonance (NMR) is an invaluable tool in structural and molecular biology research, but may be underutilized in undergraduate laboratories because instrumentation for performing structural studies of macromolecules in aqueous solutions is not yet widely available for use in undergraduate laboratories. We have…

Quantitative Analysis of Nail Polish Remover Using Nuclear Magnetic Resonance Spectroscopy Revisited

ERIC Educational Resources Information Center

Hoffmann, Markus M.; Caccamis, Joshua T.; Heitz, Mark P.; Schlecht, Kenneth D.

2008-01-01

Substantial modifications are presented for a previously described experiment using nuclear magnetic resonance (NMR) spectroscopy to quantitatively determine analytes in commercial nail polish remover. The revised experiment is intended for a second- or third-year laboratory course in analytical chemistry and can be conducted for larger laboratory…

Tensor of effective susceptibility in random magnetic composites: Application to two-dimensional and three-dimensional cases

NASA Astrophysics Data System (ADS)

Posnansky, Oleg P.

2018-05-01

The measuring of dynamic magnetic susceptibility by nuclear magnetic resonance is used for revealing information about the internal structure of various magnetoactive composites. The response of such material on the applied external static and time-varying magnetic fields encodes intrinsic dynamic correlations and depends on links between macroscopic effective susceptibility and structure on the microscopic scale. In the current work we carried out computational analysis of the frequency dependent dynamic magnetic susceptibility and demonstrated its dependence on the microscopic architectural elements while also considering Euclidean dimensionality. The proposed numerical method is efficient in the simulation of nuclear magnetic resonance experiments in two- and three-dimensional random magnetic media by choosing and modeling the influence of the concentration of components and internal hierarchical characteristics of physical parameters.

Voltage-selective bidirectional polarization and coherent rotation of nuclear spins in quantum dots.

PubMed

Takahashi, R; Kono, K; Tarucha, S; Ono, K

2011-07-08

We propose and demonstrate that the nuclear spins of the host lattice in GaAs double quantum dots can be polarized in either of two opposite directions, parallel or antiparallel to an external magnetic field. The direction is selected by adjusting the dc voltage. This nuclear polarization manifests itself by repeated controlled electron-nuclear spin scattering in the Pauli spin-blockade state. Polarized nuclei are also controlled by means of nuclear magnetic resonance. This Letter confirms that the nuclear spins in quantum dots are long-lived quantum states with a coherence time of up to 1 ms, and may be a promising resource for quantum-information processing such as quantum memories for electron spin qubits.

Magnetic Analyzer Mavr for Study of Exotic Weakly Bound Nuclei

NASA Astrophysics Data System (ADS)

Maslov, V. A.; Kazacha, V. I.; Kolesov, I. V.; Lukyanov, S. M.; Melnikov, V. N.; Osipov, N. F.; Penionzhkevich, Yu. E.; Skobelev, N. K.; Sobolev, Yu. G.; Voskoboinik, E. I.

2015-06-01

A project of the high-resolution magnetic analyzer MAVR is proposed. The analyzer will comprise new magnetic optical and detecting systems for separation and identification of reaction products in a wide range of masses (5-150) and charges (1-60). The magnetic optical system consists of the MSP-144 magnet and a doublet of quadrupole lenses. This will allow the solid angle of the spectrometer to be increased by an order of magnitude up to 30 msr. The magnetic analyzer will have a high momentum resolution (10-4) and high focal-plane dispersion (1.9 m). It will allow products of nuclear reactions at energies up to 30 MeV/nucleon to be detected with the charge resolution ~1/60. Implementation of the project is divided into two stages: conversion of the magnetic analyzer proper and construction of the nuclear reaction products identification system. The MULTI detecting system is being developed for the MAVR magnetic analyzer to allow detection of nuclear reaction products and their identification by charge Q, atomic number Z, and mass A with a high absolute accuracy. The identification will be performed by measuring the energy loss (ΔE), time of flight (TOF), and total kinetic energy (TKE) of reaction products. The particle trajectories in the analyzer will also be determined using the drift chamber developed jointly with GANIL. The MAVR analyzer will operate in both primary beams of heavy ions and beams of radioactive nuclei produced by the U400 - U400M acceleration complex. It will also be used for measuring energy spectra of nuclear reaction products and as an energy monochromator.

Study of Exotic Weakly Bound Nuclei Using Magnetic Analyzer Mavr

NASA Astrophysics Data System (ADS)

Maslov, V. A.; Kazacha, V. I.; Kolesov, I. V.; Lukyanov, S. M.; Melnikov, V. N.; Osipov, N. F.; Penionzhkevich, Yu. E.; Skobelev, N. K.; Sobolev, Yu. G.; Voskoboinik, E. I.

2016-06-01

A project of the high-resolution magnetic analyzer MAVR is proposed. The analyzer will comprise new magnetic optical and detecting systems for separation and identification of reaction products in a wide range of masses (5-150) and charges (1-60). The magnetic optical system consists of the MSP-144 magnet and a doublet of quadrupole lenses. This will allow the solid angle of the spectrometer to be increased by an order of magnitude up to 30 msr. The magnetic analyzer will have a high momentum resolution (10-4) and high focal-plane dispersion (1.9 m). It will allow products of nuclear reactions at energies up to 30 MeV/nucleon to be detected with the charge resolution ∼1/60. Implementation of the project is divided into two stages: conversion of the magnetic analyzer proper and construction of the nuclear reaction products identification system. The MULTI detecting system is being developed for the MAVR magnetic analyzer to allow detection of nuclear reaction products and their identification by charge Q, atomic number Z, and mass A with a high absolute accuracy. The identification will be performed by measuring the energy loss (ΔE), time of flight (TOF), and total kinetic energy (TKE) of reaction products. The particle trajectories in the analyzer will also be determined using the drift chamber developed jointly with GANIL. The MAVR analyzer will operate in both primary beams of heavy ions and beams of radioactive nuclei produced by the U400 - U400M acceleration complex. It will also be used for measuring energy spectra of nuclear reaction products and as an energy monochromator.

Slow Magnetic Relaxations in Cobalt(II) Tetranitrate Complexes. Studies of Magnetic Anisotropy by Inelastic Neutron Scattering and High-Frequency and High-Field EPR Spectroscopy

DOE PAGES

Chen, Lei; Cui, Hui-Hui; Stavretis, Shelby E.; ...

2016-12-07

We synthesized and studied three mononuclear cobalt(II) tetranitrate complexes (A) 2[Co(NO 3) 4] with different countercations, Ph 4P + (1), MePh 3P + (2), and Ph 4As + (3), using X-ray single-crystal diffraction, magnetic measurements, inelastic neutron scattering (INS), high-frequency and high-field EPR (HF-EPR) spectroscopy, and theoretical calculations. Furthermore, the X-ray diffraction studies reveal that the structure of the tetranitrate cobalt anion varies with the countercation. 1 and 2 exhibit highly irregular seven-coordinate geometries, while the central Co(II) ion of 3 is in a distorted-dodecahedral configuration. The sole magnetic transition observed in the INS spectroscopy of 1–3 corresponds to themore » zero-field splitting (2(D 2 + 3E 2) 1/2) from 22.5(2) cm –1 in 1 to 26.6(3) cm –1 in 2 and 11.1(5) cm –1 in 3. The positive sign of the D value, and hence the easy-plane magnetic anisotropy, was demonstrated for 1 by INS studies under magnetic fields and HF-EPR spectroscopy. The combined analyses of INS and HF-EPR data yield the D values as +10.90(3), +12.74(3), and +4.50(3) cm –1 for 1–3, respectively. Frequency- and temperature-dependent alternating-current magnetic susceptibility measurements reveal the slow magnetization relaxation in 1 and 2 at an applied dc field of 600 Oe, which is a characteristic of field-induced single-molecule magnets (SMMs). Finally, the electronic structures and the origin of magnetic anisotropy of 1–3 were revealed by calculations at the CASPT2/NEVPT2 level.« less

Deciphering the Possible Role of Strain Path on the Evolution of Microstructure, Texture, and Magnetic Properties in a Fe-Cr-Ni Alloy

NASA Astrophysics Data System (ADS)

Kumar, Amit; Khatirkar, Rajesh Kisni; Gupta, Aman; Shekhawat, Satish K.; Suwas, Satyam

2018-06-01

In the present work, the influence of strain path on the evolution of microstructure, crystallographic texture, and magnetic properties of a two-phase Fe-Cr-Ni alloy was investigated. The Fe-Cr-Ni alloy had nearly equal proportion of austenite and ferrite and was cold rolled up to a true strain of 1.6 (thickness reduction) using two different strain paths—unidirectional rolling and multi-step cross rolling. The microstructures were characterized by scanning electron microscopy (SEM) and electron backscattered diffraction (EBSD), while crystallographic textures were determined using X-ray diffraction. For magnetic characterization, B-H loops and M-H curves were measured and magnetic force microscopy was performed. After unidirectional rolling, ferrite showed the presence of strong α-fiber (rolling direction, RD//<110>) and austenite showed strong brass type texture (consisting of Brass (Bs) ({110}<112>), Goss ({110}<001>), and S ({123}<634>)). After multi-step cross rolling, strong rotated cube ({100}<110>) was developed in ferrite, while austenite showed ND (normal direction) rotated brass ( 10 deg) texture. The strain-induced martensite (SIM) was found to be higher in unidirectionally rolled samples than multi-step cross-rolled samples. The coherently diffracting domain size, micro-strain, coercivity, and core loss also showed a strong correlation with strain and strain path. More strain was partitioned into austenite than ferrite during deformation (unidirectional as well as cross rolling). Further, the strain partitioning (in both austenite and ferrite) was found to be higher in unidirectionally rolled samples.

Neutron diffraction investigation of γ manganese hydride

NASA Astrophysics Data System (ADS)

Fedotov, V. K.; Antonov, V. E.; Kolesnikov, A. I.; Beskrovnyi, A. I.; Grosse, G.; Wagner, F. E.

1998-08-01

A profile analysis of the neutron diffraction spectrum of the fcc high pressure hydride λ-MnH 0.41 measured under ambient conditions showed that hydrogen is randomly distributed over the octahedral interstices of the fcc metal lattice and that the hydride is an antiferromagnet with the same collinear spin structure as pure λ-Mn, but with a smaller magnetic moment of about 1.9 Bohr magnetons per Mn atom.