Physical modelling of Czochralski crystal growth in horizontal magnetic field

NASA Astrophysics Data System (ADS)

Grants, Ilmārs; Pal, Josef; Gerbeth, Gunter

2017-07-01

This study addresses experimentally the heat transfer, the temperature azimuthal non-uniformity and the onset of oscillations in a low temperature physical model of a medium-sized Czochralski crystal growth process with a strong horizontal magnetic field (HMF). It is observed that under certain conditions the integral heat flux may decrease with increasing magnetic field strength at the same time as the flow velocity increases. The azimuthal non-uniformity of the temperature field in the melt near the crystal model rim is only little influenced by its rotation rate outside of a narrow range where the centrifugal force balances the buoyant one. The flow oscillation onset has been observed for two values of the HMF strength. Conditions of this onset are little influenced by the crystal rotation. The critical temperature difference of the oscillation onset considerably exceeds that of the Rayleigh-Bénard (RB) cell in a strong HMF.

High breakdown electric field in β-Ga2O3/graphene vertical barristor heterostructure

NASA Astrophysics Data System (ADS)

Yan, Xiaodong; Esqueda, Ivan S.; Ma, Jiahui; Tice, Jesse; Wang, Han

2018-01-01

In this work, we study the high critical breakdown field in β-Ga2O3 perpendicular to its (100) crystal plane using a β-Ga2O3/graphene vertical heterostructure. Measurements indicate a record breakdown field of 5.2 MV/cm perpendicular to the (100) plane that is significantly larger than the previously reported values on lateral β-Ga2O3 field-effect-transistors (FETs). This result is compared with the critical field typically measured within the (100) crystal plane, and the observed anisotropy is explained through a combined theoretical and experimental analysis.

Single crystal EPR determination of the quantum energy level structure for Fe8 molecular clusters

NASA Astrophysics Data System (ADS)

Maccagnano, S.; Hill, S.; Negusse, E.; Lussier, A.; Mola, M. M.; Achey, R.; Dalal, N. S.

2001-05-01

Using a high sensitivity resonance cavity technique,^1 we are able to obtain high field/frequency (up to 9 tesla/210 GHz) EPR spectra for oriented single crystals of [Fe_8O_2(OH)_12(tacn)_6]Br_8.9H_2O (or Fe8 for short). Extrapolating the frequency dependence of transitions to zero-field (for any orientation of the field) allows us to directly, and accurately (to within 0.5 percent), determine the first five zero-field splittings, which are in reasonable agreement with recent inelastic neutron studies.^2 The dependence of these splittings on the applied field strength, and its orientation with respect to the crystal, enables us to identify (to within 1^o) the easy, intermediate and hard magnetic axes. Subsequent analysis of EPR spectra for field parallel to the easy axis yields a value of for gz which is appreciably different from the value assumed in a recent high field EPR study by Barra et al.^3 ^1 M.M. Mola, S. Hill, P. Goy, and M. Gross, Rev. Sci. Inst. 71, 186 (2000). ^2 R. Caciuffo, G. Amoretti, R. Sessoli, A. Caneschi, and D. Gatteschi, Phys. Rev. Lett. 81, 4744 (1998). ^3 A. L. Barra, D. Gatteschi, and R. Sessoli, cond?mat/0002386 (Feb, 2000).

Effect of elastic deformation and the magnetic field on the electrical conductivity of p-Si crystals

NASA Astrophysics Data System (ADS)

Lys, R.; Pavlyk, B.; Didyk, R.; Shykorjak, J.; Karbovnyk, I.

2018-03-01

It is shown that at a deformation rate of 0.41 kg/min, the characteristic feature of the dependence of the surface resistance of the p-Si sample on the magnitude of its elastic deformation (R(σ)) is the reduction of the resistance during compression and unclamping. With the increase in the number of "compression-unclamping" cycles, the difference between the positions of the compression and unclamping curves decreases. The transformation of two types of magnetically sensitive defects occurs under the impact of a magnetic field on p-Si crystals. The defects are interrelated with two factors that cause the mutually opposite influence on the conductivity of the crystal. The first factor is that the action of the magnetic field decreases the activation energy of the dislocation holders, which leads to an increase in the electrical conductivity of the sample. The second factor is that due to the decay of molecules of oxygen-containing impurities in the magnetic field, the stable chemisorption bonds appear in the crystal that leads to a decrease in its conductivity. If the sample stays in the magnetic field for a long time, the one or the other mechanism predominates, causing a slow growth or decrease in resistance around a certain (averaged) value. Moreover, the frequency of such changes is greater in the deformed sample. The value of the surface resistance of p-Si samples does not change for a long time without the influence of the magnetic field.

Exchange field effect in the crystal-field ground state of Ce M Al 4 Si 2

DOE PAGES

Chen, K.; Strigari, F.; Sundermann, M.; ...

2016-09-06

The crystal-field ground-state wave functions of the tetragonal, magnetically ordering Kondo lattice materials CeMAl 4Si 2 (M = Rh, Ir, and Pt) are determined in this paper with low-temperature linearly polarized soft-x-ray absorption spectroscopy, and estimates for the crystal-field splittings are given from the temperature evolution of the linear dichroism. Values for the dominant exchange field in the magnetically ordered phases can be obtained from fitting the influence of magnetic order on the linear dichroism. The direction of the required exchange field is || c for the antiferromagnetic Rh and Ir compounds, with the corresponding strength of the order ofmore » λ ex ≈ 6 meV (65 K). Finally and furthermore, the presence of Kondo screening in the Rh and Ir compound is demonstrated on the basis of the absorption due to f 0 in the initial state.« less

Flux-flow and vortex-glass phase in iron pnictide {{BaFe}}_{2-x}{{Ni}}_{x}{{As}}_{2} single crystals with {T}_{c}\\,\\sim \\,20 K

NASA Astrophysics Data System (ADS)

Salem-Sugui, S., Jr.; Alvarenga, A. D.; Luo, H.-Q.; Zhang, R.; Gong, D.-L.

2017-01-01

We analysed the flux-flow region of isofield magnetoresistivity data obtained on three crystals of {{BaFe}}2-x Ni x As2 with T c ˜ 20 K for three different geometries relative to the angle formed between the applied magnetic field and the c-axis of the crystals. The field dependent activation energy, U 0, was obtained from the thermal assisted flux-flow (TAFF) and modified vortex-glass models, which were compared with the values of U 0 obtained from flux-creep available in the literature. We observed that the U 0 obtained from the TAFF model show deviations among the different crystals, while the correspondent glass lines obtained from the vortex-glass model are virtually coincident. It is shown that the data is well explained by the modified vortex-glass model, allowing extract of values of T g, the glass transition temperature, and {T}* , a temperature which scales with the mean field critical temperature {T}{{c}}(H). The resulting glass lines obey the anisotropic Ginzburg-Landau theory and are well fitted by a theory developed in the literature by considering the effect of disorder.

The effect of growth temperature on the irreversibility line of MPMG YBCO bulk with Y2O3 layer

NASA Astrophysics Data System (ADS)

Kurnaz, Sedat; Çakır, Bakiye; Aydıner, Alev

2017-07-01

In this study, three kinds of YBCO samples which are named Y1040, Y1050 and Y1060 were fabricated by Melt-Powder-Melt-Growth (MPMG) method without a seed crystal. Samples seem to be single crystal. The compacted powders were located on a crucible with a buffer layer of Y2O3 to avoid liquid to spread on the furnace plate and also to support crystal growth. YBCO samples were investigated by magnetoresistivity (ρ-T) and magnetization (M-T) measurements in dc magnetic fields (parallel to c-axis) up to 5 T. Irreversibility fields (Hirr) and upper critical fields (Hc2) were obtained using 10% and 90% criteria of the normal state resistivity value from ρ-T curves. M-T measurements were carried out using the zero field cooling (ZFC) and field cooling (FC) processes to get irreversible temperature (Tirr). Fitting of the irreversibility line results to giant flux creep and vortex glass models were discussed. The results were found to be consistent with the results of the samples fabricated using a seed crystal. At the fabrication of MPMG YBCO, optimized temperature for crystal growth was determined to be around 1050-1060 °C.

DC electrical conductivity measurements for pure and titanium oxide doped KDP Crystals grown by gel medium

NASA Astrophysics Data System (ADS)

Mareeswaran, S.; Asaithambi, T.

2016-10-01

Now a day's crystals are the pillars of current technology. Crystals are applied in various fields like fiber optic communications, electronic industry, photonic industry, etc. Crystal growth is an interesting and innovative field in the subject of physics, chemistry, material science, metallurgy, chemical engineering, mineralogy and crystallography. In recent decades optically good quality of pure and metal doped KDP crystals have been grown by gel growth method in room temperature and its characterizations were studied. Gel method is a very simple and one of the easiest methods among the various crystal growth methods. Potassium dihydrogen phosphate KH2PO4 (KDP) continues to be an interesting material both academically and technologically. KDP is a delegate of hydrogen bonded materials which possess very good electrical and nonlinear optical properties in addition to interesting electro-optic properties. We made an attempt to grow pure and titanium oxide doped KDP crystals with various doping concentrations (0.002, 0.004, 0.006, 0.008 and 0.010) using gel method. The grown crystals were collected after 20 days. We get crystals with good quality and shaped crystals. The dc electrical conductivity (resistance, capacitance and dielectric constant) values of the above grown crystals were measured at two different frequencies (1KHz and 100 Hz) with a temperature range of 500C to 1200C using simple two probe setup with Q band digital LCR meter present in our lab. The electrical conductivity increases with the increase of temperature. Dielectric constants value of titanium oxide doped KDP crystal was slightly decreased compared with pure KDP crystals. Results were discussed in details.

Inhomogeneous field induced magnetoelectric effect in Mott insulators

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

Boulaevskii, Lev N; Batista, Cristian D

2008-01-01

We consider a Mott insulator like HoMnO{sub 3} whose magnetic lattice is geometrically frustrated and comprises a 3D array of triangular layers with magnetic moments ordered in a 120{sup o} structure. We show that the effect of a uniform magnetic field gradient, {gradient}H, is to redistribute the electronic charge of the magnetically ordered phase leading to a unfirom electric field gradient. The resulting voltage difference between the crystal edges is proportional to the square of the crystal thickness, or inter-edge distance, L. It can reach values of several volts for |{gradient}H| {approx} 0.01 T/cm and L {approx_equal} 1mm, as longmore » as the crystal is free of antiferromagnetic domain walls.« less

Absorption spectra analysis of hydrated uranium(III) complex chlorides

NASA Astrophysics Data System (ADS)

Karbowiak, M.; Gajek, Z.; Drożdżyński, J.

2000-11-01

Absorption spectra of powdered samples of hydrated uranium(III) complex chlorides of the formulas NH 4UCl 4 · 4H 2O and CsUCl 4 · 3H 2O have been recorded at 4.2 K in the 4000-26 000 cm -1 range. The analysis of the spectra enabled the determination of crystal-field parameters and assignment of 83 and 77 crystal-field levels for the tetrahydrate and trihydrate, respectively. The energies of the levels were computed by applying a simplified angular overlap model as well as a semiempirical Hamiltonian representing the combined atomic and crystal-field interactions. Ab initio calculations have enabled the application of a simplified parameterization and the determination of the starting values of the AOM parameters. The received results have proved that the AOM approach can quite well predict both the structure of the ground multiplet and the positions of the crystal-field levels in the 17 000-25 000 cm -1 range, usually obscured by strong f-d bands.

Dual gauge field theory of quantum liquid crystals in three dimensions

NASA Astrophysics Data System (ADS)

Beekman, Aron J.; Nissinen, Jaakko; Wu, Kai; Zaanen, Jan

2017-10-01

The dislocation-mediated quantum melting of solids into quantum liquid crystals is extended from two to three spatial dimensions, using a generalization of boson-vortex or Abelian-Higgs duality. Dislocations are now Burgers-vector-valued strings that trace out worldsheets in space-time while the phonons of the solid dualize into two-form (Kalb-Ramond) gauge fields. We propose an effective dual Higgs potential that allows for restoring translational symmetry in either one, two, or three directions, leading to the quantum analogues of columnar, smectic, or nematic liquid crystals. In these phases, transverse phonons turn into gapped, propagating modes, while compressional stress remains massless. Rotational Goldstone modes emerge whenever translational symmetry is restored. We also consider the effective electromagnetic response of electrically charged quantum liquid crystals, and find among other things that as a hard principle only two out of the possible three rotational Goldstone modes are observable using propagating electromagnetic fields.

Magnetic excitations in praseodymium

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

Houmann, J.G.; Rainford, B.D.; Jensen, J.

1979-08-01

The magnetic excitations in a single crystal of dhcp Pr have been studied by inelastic neutron scattering. The excitations on the hexagonal sites, and their dependence on magnetic fields up to 43 kOe applied in the basal plane, have been analyzed in terms of a Hamiltonian in which exchange, crystal-field, and magnetoelastic interactions are included. The exchange is found to be strongly anisotropic, and this anisotropy is manifested directly in a splitting of most branches of the dispersion relations. By considering a variety of magnetic properties, we have been able to determine the crystal-field level scheme for the hexagonal sitesmore » fairly unambiguously. The first excited level is 3.5 meV above the ground state. The value of the magnetoelastic coupling deduced from the excitations is in good agreement with values obtained from other measurements. A field-dependent interaction with the phonons has been observed, and a pronounced broadening of the acoustic excitations of long wavelength is ascribed to the influence of the conduction electrons. The first excited state on the cubic ions is about 8.3 meV above the ground state. The corresponding excitations show a pronounced dispersion, but the exchange anisotropy is of less importance than for the hexagonal sites.« less

High field (up to 140 kOe) angle dependent magneto transport of Bi2Te3 single crystals

NASA Astrophysics Data System (ADS)

Sultana, Rabia; Maheshwari, P. K.; Tiwari, Brajesh; Awana, V. P. S.

2018-01-01

We report the angle dependent high field (up to 140 kOe) magneto transport of Bi2Te3 single crystals, a well-known topological insulator. The crystals were grown from melt of constituent elements via solid state reaction route by self-flux method. Details of crystal growth along with their brief characterisation up to 5 Tesla applied field was reported by some of us recently (Sultana et al 2017 J. Magn. Magn. Mater. 428 213). The angle dependence of the magneto-resistance (MR) of Bi2Te3 follows the cos (θ) function i.e., MR is responsive, when the applied field is perpendicular (tilt angle θ = 0° and/or 180°) to the transport current. The low field (±10 kOe) MR showed the signatures of weak anti localisation character with typical ν-type cusp near origin at 5 K. Further, the MR is linear right up to highest applied field of 140 kOe. The large positive MR are observed up to high temperatures and are above 250% and 150% at 140 kOe in perpendicular fields at 50 K and 100 K respectively. Heat capacity C P(T) measurements revealed the value of Debye temperature (ѲD) to be 135 K. Angle resolved photoemission spectroscopy data clearly showed that the bulk Bi2Te3 single crystal consists of a single Dirac cone.

Two Photon Absorption And Refraction in Bulk of the Semiconducting Materials

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

Kumari, Vinay; Department of Physics, DCRUST Murthal, Haryana; Kumar, Vinod

2011-10-20

Fast electronic detection systems have opened up a number of new fields like nonlinear optics, optical communication, coherent optics, optical bistability, two/four wave mixing. The interest in this field has been stimulated by the importance of multiphoton processes in many fundamental aspects of physics. It has proved to be an invaluable tool for determining the optical and electronic properties of the solids because of the fact that one gets the information about the bulk of the material rather than the surface one. In this paper we report, the measurement of the nonlinear absorption and refraction from the band gap tomore » half-band gap region of bulk of semiconductors in the direct and indirect band gap crystals with nanosecond laser. The measured theoretical calculated values of two-photon absorption coefficients ({beta}) and nonlinear refraction n{sub 2}({omega}) of direct band gap crystal match the earlier reported theoretical predictions. By making use of these theoretical calculated values, we have estimated {beta} and n{sub 2}({omega}) in the case of indirect band gap crystals. Low value of absorption coefficient in case of indirect band gap crystals have been attributed to phonon assisted transition while reduction in nonlinear refraction is due to the rise in saturation taking place in the absorption.« less

Formation of ring-shaped light fields with orbital angular momentum using a modal type liquid crystal spatial modulator

NASA Astrophysics Data System (ADS)

Kotova, S. P.; Mayorova, A. M.; Samagin, S. A.

2018-05-01

Techniques for forming vortex light fields using a modal type liquid crystal spatial modulator were proposed. An orbital angular momentum of light passing through the modulator or reflecting from it appears as a result of the jump in the profile of phase delay by means of using special configurations of contact electrodes and predetermined values of applying voltages. The features of the generated vortex beams and capabilities for their control were simulated.

Optical spectroscopy of lanthanide ions in ZnO-TeO2 glasses.

PubMed

Rolli, R; Wachtler, K; Wachtler, M; Bettinelli, M; Speghini, A; Ajò, D

2001-09-01

Zinc tellurite glasses of compositions 19ZnO-80TeO2-1Ln2O3 with Ln = Eu, Er, Nd and Tm were prepared by melt quenching. The absorption spectra were measured and from the experimental oscillator strengths of the f-->f transitions the Judd-Ofelt parameters ohm(lambda) were obtained. The values of the ohm(lambda) parameters are in the range usually observed for oxide glasses. For Nd3+ and Er3+, luminescence spectra in the near infrared were measured and the stimulated emission cross sections sigma(p) were evaluated for some laser transitions. The high values of sigma(p), especially for Nd3+, make them possible candidates for optical applications. Fluorescence line narrowing (FLN) spectra of the Eu3+ doped glass were measured at 20 K, and the energies of the Stark components of the 7F1 and 7F2 states were obtained. A crystal field analysis was carried out assuming a C2v site symmetry. The behaviour of the crystal field ratios B22/B20 and B44/B40 agrees reasonably well with the values calculated using the geometric model proposed by Brecher and Riseberg. The crystal field strength at the Eu3+ sites appears to be very low compared to other oxide glasses.

Phenomenological crystal-field model of the magnetic and thermal properties of the Kondo-like system UCu2Si2

NASA Astrophysics Data System (ADS)

Troć, R.; Gajek, Z.; Pikul, A.; Misiorek, H.; Colineau, E.; Wastin, F.

2013-07-01

The transport properties described previously [Troć , Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.85.224434 85, 224434 (2012)] as well as the magnetic and thermal properties presented in this paper, observed for single-crystalline UCu2Si2, are discussed by assuming a dual (localized-itinerant) scenario. The electronic states of the localized 5f electrons in UCu2Si2 are constructed using the effective Hamiltonian known for ionic systems, allowing us to treat the Coulomb, spin-orbital, and crystal-field interactions on equal footing. The space of parameters has been restricted in the initial steps with the aid of the angular overlap model approximation. The final crystal-field parameters, obtained from the refined steps of calculations, are relatively large (in absolute values), which we attribute to the hybridization characteristic of the metallic systems on the verge of localization. The proposed crystal-field model reproduces correctly with satisfactory accuracy the magnetic and thermal properties of UCu2Si2 in agreement also with the transport properties reported previously. Considerable crystal-field splitting of the ground multiplet of 2760 K is responsible for a large anisotropy in the magnetic behavior, observed in the whole temperature range explored.

Study of light-absorbing crystal birefringence and electrical modulation mechanisms for coupled thermal-optical effects.

PubMed

Zhou, Ji; He, Zhihong; Ma, Yu; Dong, Shikui

2014-09-20

This paper discusses Gaussian laser transmission in double-refraction crystal whose incident light wavelength is within its absorption wave band. Two scenarios for coupled radiation and heat conduction are considered: one is provided with an applied external electric field, the other is not. A circular heat source with a Gaussian energy distribution is introduced to present the crystal's light-absorption process. The electromagnetic field frequency domain analysis equation and energy equation are solved to simulate the phenomenon by using the finite element method. It focuses on the influence of different values such as wavelength, incident light intensity, heat transfer coefficient, ambient temperature, crystal thickness, and applied electric field strength. The results show that the refraction index of polarized light increases with the increase of crystal temperature. It decreases as the strength of the applied electric field increases if it is positive. The mechanism of electrical modulation for the thermo-optical effect is used to keep the polarized light's index of refraction constant in our simulation. The quantitative relation between thermal boundary condition and strength of applied electric field during electrical modulation is determined. Numerical results indicate a possible approach to removing adverse thermal effects such as depolarization and wavefront distortion, which are caused by thermal deposition during linear laser absorption.

Chalcogen (O2, S, Se, Te) atmosphere annealing induced bulk superconductivity in Fe1+yTe1-xSex single crystal

NASA Astrophysics Data System (ADS)

Sun, Y.; Tsuchiya, Y.; Yamada, T.; Taen, T.; Pyon, S.; Shi, Z. X.; Tamegai, T.

2014-09-01

We reported a detailed study of Fe1+yTe0.6Se0.4 single crystals annealed in the atmosphere of chalcogens (O2, S, Se, Te). After annealing with appropriate amount of chalcogens, Fe1+yTe0.6Se0.4 single crystals show Tc higher than 14 K with a sharp transition width ∼1 K. Critical current density Jc for the annealed crystals reach a very high value ∼2-4 × 105 A/cm2 under zero field, and is also robust under applied field at low temperatures. Magneto-optical imaging reveal that the Jc is homogeneously distributed in the annealed crystals and isotropic in the ab-plane. Our results show that annealing in the atmosphere of chalcogens can successfully induce bulk superconductivity in Fe1+yTe0.6Se0.4.

Tailor-made force fields for crystal-structure prediction.

PubMed

Neumann, Marcus A

2008-08-14

A general procedure is presented to derive a complete set of force-field parameters for flexible molecules in the crystalline state on a case-by-case basis. The force-field parameters are fitted to the electrostatic potential as well as to accurate energies and forces generated by means of a hybrid method that combines solid-state density functional theory (DFT) calculations with an empirical van der Waals correction. All DFT calculations are carried out with the VASP program. The mathematical structure of the force field, the generation of reference data, the choice of the figure of merit, the optimization algorithm, and the parameter-refinement strategy are discussed in detail. The approach is applied to cyclohexane-1,4-dione, a small flexible ring. The tailor-made force field obtained for cyclohexane-1,4-dione is used to search for low-energy crystal packings in all 230 space groups with one molecule per asymmetric unit, and the most stable crystal structures are reoptimized in a second step with the hybrid method. The experimental crystal structure is found as the most stable predicted crystal structure both with the tailor-made force field and the hybrid method. The same methodology has also been applied successfully to the four compounds of the fourth CCDC blind test on crystal-structure prediction. For the five aforementioned compounds, the root-mean-square deviations between lattice energies calculated with the tailor-made force fields and the hybrid method range from 0.024 to 0.053 kcal/mol per atom around an average value of 0.034 kcal/mol per atom.

Large magnetic entropy change in multiferroic HoFeO3 single crystal

NASA Astrophysics Data System (ADS)

Das, Moumita; Mandal, Prabhat

2018-04-01

In this article magnetic and magnetocaloric properties of HoFeO3 single crystal have been investigated by magnetization measurement in the temperature range 6-30K and near spin reorientation transition (TSR) region 45-61K. Remarkably large and reversible magnetic entropy change (-ΔSm) = 27J/kg K, has been observed for a field change of 0-6T near 9.5K due to metamagnetic transition. The value of ΔSm is 6J/kg K at 6T near TSR. This magnetocaloric parameter is larger than previously reported value along [100] crystallographic axis due to its anisotropic nature along different axis. This value is larger than some of the potential magnetic refrigerants in the same temperature range which is not reported previously. The ΔSm is also quite large for a small and moderate field change. For an example the values of ΔSmax are 7 and 12 J/kg K for field change of 2 and 3T. The large value of this magnetocaloric parameter suggests that HoFeO3 could be considered as a potential refrigerant material for low-temperature magnetic refrigeration technology to liquefaction the hydrogen and helium in fuel industry.

The formation and optical properties of planar waveguide in laser crystal Nd:YGG by carbon ion implantation

NASA Astrophysics Data System (ADS)

Zhao, Jin-Hua; Qin, Xi-Feng; Wang, Feng-Xiang; Jiao, Yang; Guan, Jing; Fu, Gang

2017-10-01

As one kind of prominent laser crystal, Nd:Y3Ga5O12 (Nd:YGG) crystal has outstanding performance on laser excitation at multi-wavelength which have shown promising applications in optical communication field. In addition, Nd:YGG crystal has potential applications in medical field due to its ability of emit the laser at 1110 nm. Optical waveguide structure with high quality could improve the efficiency of laser emission. In this work, we fabricated the optical planar waveguide on Nd:YGG crystal by medium mass ion implantation which was convinced an effective method to realize a waveguide structure with superior optical properties. The sample is implanted by C ions at energy of 5.0 MeV with the fluence of 1 × 1015 ions/cm2. We researched the optical propagation properties in the Nd:YGG waveguide by end-face coupling and prism coupling method. The Nd ions fluorescent properties are obtained by a confocal micro-luminescence measurement. The fluorescent properties of Nd ions obtained good reservation after C ion implantation. Our work has reference value for the application of Nd:YGG crystal in the field of optical communication.

Self-deflection of a bright soliton in a separate bright-dark spatial soliton pair based on a higher-order space charge field

NASA Astrophysics Data System (ADS)

Liu, Jin-Song; Hao, Zhong-Hua

2003-10-01

The self-deflection of a bright solitary beam can be controlled by a dark solitary beam via a parametric coupling effect between the bright and dark solitary beams in a separate bright-dark spatial soliton pair supported by an unbiased series photorefractive crystal circuit. The spatial shift of the bright solitary beam centre as a function of the input intensity of the dark solitary beam (hat rho) is investigated by taking into account the higher-order space charge field in the dynamics of the bright solitary beam via both numerical and perturbation methods under steady-state conditions. The deflection amount (Deltas0), defined as the value of the spatial shift at the output surface of the crystal, is a monotonic and nonlinear function of hat rho. When hat rho is weak or strong enough, Deltas0 is, in fact, unchanged with hat rho, whereas Deltas0 increases or decreases monotonically with hat rho in a middle range of hat rho. The corresponding variation range (deltas) depends strongly on the value of the input intensity of the bright solitary beam (r). There are some peak and valley values in the curve of deltas versus r under some conditions. When hat rho increases, the bright solitary beam can scan toward both the direction same as and opposite to the crystal's c-axis. Whether the direction is the same as or opposite to the c-axis depends on the parameter values and configuration of the crystal circuit, as well as the value of r. Some potential applications are discussed.

Critical behavior of the spin-1 and spin-3/2 Baxter-Wu model in a crystal field.

PubMed

Dias, D A; Xavier, J C; Plascak, J A

2017-01-01

The phase diagram and the critical behavior of the spin-1 and the spin-3/2 two-dimensional Baxter-Wu model in a crystal field are studied by conventional finite-size scaling and conformal invariance theory. The phase diagram of this model, for the spin-1 case, is qualitatively the same as those of the diluted 4-states Potts model and the spin-1 Blume-Capel model. However, for the present case, instead of a tricritical point one has a pentacritical point for a finite value of the crystal field, in disagreement with previous work based on finite-size calculations. On the other hand, for the spin-3/2 case, the phase diagram is much richer and can present, besides a pentacritical point, an additional multicritical end point. Our results also support that the universality class of the critical behavior of the spin-1 and spin-3/2 Baxter-Wu model in a crystal field is the same as the pure Baxter-Wu model, even at the multicritical points.

Dual gauge field theory of quantum liquid crystals in three dimensions

DOE PAGES

Beekman, Aron J.; Nissinen, Jaakko; Wu, Kai; ...

2017-10-09

The dislocation-mediated quantum melting of solids into quantum liquid crystals is extended from two to three spatial dimensions, using a generalization of boson-vortex or Abelian-Higgs duality. Dislocations are now Burgers-vector-valued strings that trace out worldsheets in space-time while the phonons of the solid dualize into two-form (Kalb-Ramond) gauge fields. We propose an effective dual Higgs potential that allows for restoring translational symmetry in either one, two, or three directions, leading to the quantum analogues of columnar, smectic, or nematic liquid crystals. In these phases, transverse phonons turn into gapped, propagating modes, while compressional stress remains massless. Rotational Goldstone modes emergemore » whenever translational symmetry is restored. Lastly, we also consider the effective electromagnetic response of electrically charged quantum liquid crystals, and find among other things that as a hard principle only two out of the possible three rotational Goldstone modes are observable using propagating electromagnetic fields.« less

Dual gauge field theory of quantum liquid crystals in three dimensions

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

Beekman, Aron J.; Nissinen, Jaakko; Wu, Kai

The dislocation-mediated quantum melting of solids into quantum liquid crystals is extended from two to three spatial dimensions, using a generalization of boson-vortex or Abelian-Higgs duality. Dislocations are now Burgers-vector-valued strings that trace out worldsheets in space-time while the phonons of the solid dualize into two-form (Kalb-Ramond) gauge fields. We propose an effective dual Higgs potential that allows for restoring translational symmetry in either one, two, or three directions, leading to the quantum analogues of columnar, smectic, or nematic liquid crystals. In these phases, transverse phonons turn into gapped, propagating modes, while compressional stress remains massless. Rotational Goldstone modes emergemore » whenever translational symmetry is restored. Lastly, we also consider the effective electromagnetic response of electrically charged quantum liquid crystals, and find among other things that as a hard principle only two out of the possible three rotational Goldstone modes are observable using propagating electromagnetic fields.« less

A coupled ductile fracture phase-field model for crystal plasticity

NASA Astrophysics Data System (ADS)

Hernandez Padilla, Carlos Alberto; Markert, Bernd

2017-07-01

Nowadays crack initiation and evolution play a key role in the design of mechanical components. In the past few decades, several numerical approaches have been developed with the objective to predict these phenomena. The objective of this work is to present a simplified, nonetheless representative phenomenological model to predict the crack evolution of ductile fracture in single crystals. The proposed numerical approach is carried out by merging a conventional elasto-plastic crystal plasticity model and a phase-field model modified to predict ductile fracture. A two-dimensional initial boundary value problem of ductile fracture is introduced considering a single-crystal setup and Nickel-base superalloy material properties. The model is implemented into the finite element context subjected to a quasi-static uniaxial tension test. The results are then qualitatively analyzed and briefly compared to current benchmark results in the literature.

Crystal field parameters in UCI 4: Experiment versus theory

NASA Astrophysics Data System (ADS)

Zolnierek, Z.; Gajek, Z.; Malek, Ch. Khan

1984-08-01

Crystal field effect on U 4+ ion with the 3H 4 ground term in tetragonal ligand field of UCl 4 has been studied in detail. Crystal field parameters determined experimentally from optical spectroscopy and magnetic susceptibility are in good agreement with CFP sets derived from the modified point charge model and the ab initio method. Theoretical calculations lead to overestimating the A44< r4> and lowering the A02< r2> values in comparison to those found in the experiments. The discrepancies are, however, within an accuracy of calculations. A large reduction of expectation values of the magnetic moment operator for the eigenvectors of lowest CF levels (17.8%), determined from magnetic susceptibility, cannot be attributed to the overlap and covalency effects only. The detailed calculations have shown that the latter effects provide about 4.6% reduction of respective matrix elements, and the applied J-J mixing procedure increases this factor up to 6.5%. Since similar, as in UCl 4, reduction factor(≈15%) has already been observed in a number of different uranium compounds, it seems likely that this feature is involved in the intrinsic properties of the U 4+ ion. We endeavor to explain this effect in terms of configuration interaction mechanisms.

Determination of the orbital moment and crystal-field splitting in LaTiO3.

PubMed

Haverkort, M W; Hu, Z; Tanaka, A; Ghiringhelli, G; Roth, H; Cwik, M; Lorenz, T; Schüssler-Langeheine, C; Streltsov, S V; Mylnikova, A S; Anisimov, V I; de Nadai, C; Brookes, N B; Hsieh, H H; Lin, H-J; Chen, C T; Mizokawa, T; Taguchi, Y; Tokura, Y; Khomskii, D I; Tjeng, L H

2005-02-11

Utilizing a sum rule in a spin-resolved photoelectron spectroscopic experiment with circularly polarized light, we show that the orbital moment in LaTiO3 is strongly reduced from its ionic value, both below and above the Ne el temperature. Using Ti L2,3 x-ray absorption spectroscopy as a local probe, we found that the crystal-field splitting in the t2g subshell is about 0.12-0.30 eV. This large splitting does not facilitate the formation of an orbital liquid.

Band splitting in Cd3As2 measured by magnetotransport

NASA Astrophysics Data System (ADS)

Desrat, W.; Krishtopenko, S. S.; Piot, B. A.; Orlita, M.; Consejo, C.; Ruffenach, S.; Knap, W.; Nateprov, A.; Arushanov, E.; Teppe, F.

2018-06-01

Magnetotransport measurements have been performed on (112)-oriented bulk Cd3As2 samples with in situ rotation at low temperature. The frequency analysis of the Shubnikov-de Haas oscillations reveals two weakly separated frequencies arising from two Fermi ellipsoids. The angle dependence of these frequencies is fitted by an analytical expression that we derived for any magnetic field orientation. It is based on an 8 ×8 k .p model which includes the spin-orbit coupling, the crystal field splitting due to tetragonal distortion, and the additional band splitting occurring in noncentrosymmetric crystals. This band splitting is evaluated to a finite value of 30 meV, demonstrating the absence of inversion symmetry in our Cd3As2 crystal.

Energy levels and optical properties of neodymium-doped barium fluorapatite

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

Stefanos, Sennay M.; Bonner, Carl E. Jr.; Meegoda, Chandana

Energy levels of the 4f{sup 3} electronic configuration of Nd{sup 3+} in barium fluorapatite, Ba{sub 5}(PO{sub 4}){sub 3}F(B-FAP) have been determined from polarized absorption and fluorescence spectra using crystals at 8 K. Experimental energy-level assignments were made initially by comparing the crystal spectra energy levels with those obtained from those previously reported for Nd{sup 3+} in strontium fluorapatite and fluorapatite. The initial crystal-field parameters were calculated by using lattice summation techniques. The crystal-field parameters were varied to obtain a best fit between experimental and theoretical energies and the final values give a root-mean-square deviation of 7.1 cm-1. The odd-fold crystal-fieldmore » components are used to calculate the emission intensities and lifetimes of the Nd{sup 3+} ions in B-FAP. These calculations yield results in good agreement with the experimental measurements of the absorption and emission cross sections and lifetimes. (c) 2000 American Institute of Physics.« less

Diffuse-interface polycrystal plasticity: expressing grain boundaries as geometrically necessary dislocations

NASA Astrophysics Data System (ADS)

Admal, Nikhil Chandra; Po, Giacomo; Marian, Jaime

2017-12-01

The standard way of modeling plasticity in polycrystals is by using the crystal plasticity model for single crystals in each grain, and imposing suitable traction and slip boundary conditions across grain boundaries. In this fashion, the system is modeled as a collection of boundary-value problems with matching boundary conditions. In this paper, we develop a diffuse-interface crystal plasticity model for polycrystalline materials that results in a single boundary-value problem with a single crystal as the reference configuration. Using a multiplicative decomposition of the deformation gradient into lattice and plastic parts, i.e. F( X,t)= F L( X,t) F P( X,t), an initial stress-free polycrystal is constructed by imposing F L to be a piecewise constant rotation field R 0( X), and F P= R 0( X)T, thereby having F( X,0)= I, and zero elastic strain. This model serves as a precursor to higher order crystal plasticity models with grain boundary energy and evolution.

Working Ni-Mn-Ga Single Crystals in a Magnetic Field Against a Spring Load

NASA Astrophysics Data System (ADS)

Lindquist, P. G.; Müllner, P.

2015-03-01

This research characterizes ferromagnetic shape memory elements for use as mechanical actuators. A single crystal of Ni-Mn-Ga was pre-strained in compression from 0 to 6 % and then the shape was recovered with a magnetic field perpendicular to the loading direction while working against a pair of springs. The magnetic field was raised from 0 to 0.64 MA/m and then reduced to zero field. Eight pairs of springs with combined spring constants ranging from 14.3 to 269.4 N/mm were used. When the magnetic field was on, the sample expanded against the springs due to magnetic field-induced strain. When the magnetic field was turned off, the springs compressed the sample back to the initial size before the next cycle. During each cycle, force and displacement were measured and the specific work was computed. Specific work increased with the applied magnetic field and the pre-strain, with a maximum of 14 kJ/m3 at 4.5 % pre-strain and 0.64 MA/m. This value is five times less than the values suggested in the literature which were inferred from stress-strain curves measured under various magnetic fields. The spring prescribes the load-displacement path of the magnetic shape memory element and controls the work output of the actuator.

THEORETICAL RESEARCH OF THE OPTICAL SPECTRA AND EPR PARAMETERS FOR Cs2NaYCl6:Dy3+ CRYSTAL

NASA Astrophysics Data System (ADS)

Dong, Hui-Ning; Dong, Meng-Ran; Li, Jin-Jin; Li, Deng-Feng; Zhang, Yi

2013-09-01

The calculated EPR parameters are in reasonable agreement with the observed values. The important material Cs2NaYCl6 doped with rare earth ions have received much attention because of its excellent optical and magnetic properties. Based on the superposition model, in this paper the crystal field energy levels, the electron paramagnetic resonance parameters g factors of Dy3+ and hyperfine structure constants of 161Dy3+ and 163Dy3+ isotopes in Cs2NaYCl6 crystal are studied by diagonalizing the 42 × 42 energy matrix. In the calculations, the contributions of various admixtures and interactions such as the J-mixing, the mixtures among the states with the same J-value, and the covalence are all considered. The calculated results are in reasonable agreement with the observed values. The results are discussed.

An electron paramagnetic resonance study on irradiated triphenylphosphinselenid single crystal

NASA Astrophysics Data System (ADS)

Aras, Erdal; Karatas, Ozgul; Meric, Yasemin; Abbass, Hind Kh; Birey, Mehmet; Kilic, Ahmet

2014-09-01

The single crystals of triphenylphosphinselenid [C18H15PSe] were produced by slow evaporation of concentrated ethyl acetate solutions. These single crystals were exposed to 60Co gamma (γ) rays with a dose speed of 0.980 kGy/h at the room temperature for 72 h. The free radical over the sample was observed using electron paramagnetic resonance (EPR)-X band spectrometer. The EPR spectra were recorded between 120 and 400 K. Furthermore, the sample irradiated was rotated in steps of 10° and analyzed for different orientations of the crystal in the magnetic field. Only one radical structure was determined on the molecule. The hyperfine constants of the sample were found to be anisotropic. The average values of these constants and value of g were calculated as following: g=2.007656, aSe=37.47 G, aP=27.44 G, aHa=17.28 G, and aHb=18.16 G.

Geomagnetic Intensity Record from the 1.43 Ga Laramie Anorthosite Complex

NASA Astrophysics Data System (ADS)

Gee, J. S.; Selkin, P. A.; Meurer, W. P.

2015-12-01

Models of core and mantle evolution with a basal magma ocean suggest that vigorous convection in the outer core may have begun in the Proterozoic, but that inner core crystallization did not drive the geodynamo until ~0.5 Ga. Published paleointensity data suggest that Earth's magnetic field may have been relatively weak during the Proterozoic due to geodynamo activity generated by superadiabatic cooling of the fluid core. The Laramie Anorthosite Complex (LAC; Wyoming, USA) crystallized at 1.43 Ga, during the hypothesized Proterozoic weak-field interval. The LAC consists of several genetically related plutons, including (from oldest to youngest) the Poe Mountain and Snow Creek Anorthosites, and the Sybille Monzosyenite. Anorthositic, leucogabbroic, and monzosyenitic rocks from these units formed under a range of fO2 and contain different magnetic carriers, but likely retain a thermoremanent magnetization from at or close to their crystallization age. Initial IZZI Thellier experiments were conducted on oriented cores from 22 sites. Additional paleointensity analyses utilized smaller chips, selected for high Königsberger ratios to minimize the influence of larger discrete magnetic grains. Over 60% of these high Q specimens yielded reliable results, using strict criteria (FRAC > 0.80; beta < 0.1) in the ThellierGUI program. Ten site mean paleofield estimates from the Poe Mountain Anorthosite range from 40 to 70 μT (7.8 - 13.7 x 1022 Am2) while the Snow Creek Anorthosite has lower values (~20 μT). These values have been corrected for remanence anisotropy, which is significant for core samples (median τ1/τ3 = 1.46) and extreme for some chips (τ1 values exceeding 0.95) from the Snow Creek Anorthosite. A proposed slow cooling rate of the LAC would cause our paleointensity values to overestimate the ancient field by as much as 50%. Nonetheless, the range of intensity values recorded in the LAC is similar to that in the Phanerozoic and does not appear compatible with the proposed weak Proterozoic field.

The random field Blume-Capel model revisited

NASA Astrophysics Data System (ADS)

Santos, P. V.; da Costa, F. A.; de Araújo, J. M.

2018-04-01

We have revisited the mean-field treatment for the Blume-Capel model under the presence of a discrete random magnetic field as introduced by Kaufman and Kanner (1990). The magnetic field (H) versus temperature (T) phase diagrams for given values of the crystal field D were recovered in accordance to Kaufman and Kanner original work. However, our main goal in the present work was to investigate the distinct structures of the crystal field versus temperature phase diagrams as the random magnetic field is varied because similar models have presented reentrant phenomenon due to randomness. Following previous works we have classified the distinct phase diagrams according to five different topologies. The topological structure of the phase diagrams is maintained for both H - T and D - T cases. Although the phase diagrams exhibit a richness of multicritical phenomena we did not found any reentrant effect as have been seen in similar models.

Luminescence of Mn4+ ions in CaTiO3 and MgTiO3 perovskites: Relationship of experimental spectroscopic data and crystal field calculations

NASA Astrophysics Data System (ADS)

Đorđević, Vesna; Brik, Mikhail G.; Srivastava, Alok M.; Medić, Mina; Vulić, Predrag; Glais, Estelle; Viana, Bruno; Dramićanin, Miroslav D.

2017-12-01

Herein, the synthesis, structural and crystal field analysis and optical spectroscopy of Mn4+ doped metal titanates ATiO3 (A = Ca, Mg) are presented. Materials of desired phase were prepared by molten salt assisted sol-gel method in the powder form. Crystallographic data of samples were obtained by refinement of X-ray diffraction measurements. From experimental excitation and emission spectra and structural data, crystal field parameters and energy levels of Mn4+ in CaTiO3 and MgTiO3 were calculated by the exchange charge model of crystal-field theory. It is found that crystalline field strength is lower (Dq = 1831 cm-1) in the rhombohedral Ilmenite MgTiO3 structure due to the relatively longer average Mn4+sbnd O2- bond distance (2.059 Å), and higher (Dq = 2017 cm-1) in orthorhombic CaTiO3 which possess shorter average Mn4+sbnd O2- bond distance (1.956 Å). Spectral positions of the Mn4+2Eg → 4A2g transition maxima is 709 nm in MgTiO3 and 717 nm in CaTiO3 respectively in good agreement with calculated values.

Type-I superconductivity in YbSb2 single crystals

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

Zhao, Liang L.; Lausberg, Stefan; Kim, Hyunsoo

2012-06-25

We present evidence of type-I superconductivity in YbSb2 single crystals from dc and ac magnetization, heat capacity, and resistivity measurements. The critical temperature and critical field are determined to be Tc≈ 1.3 K and Hc≈ 55 Oe. A small Ginzburg-Landau parameter κ= 0.05, together with typical magnetization isotherms of type-I superconductors, small critical field values, a strong differential paramagnetic effect signal, and a field-induced change from second- to first-order phase transition, confirms the type-I nature of the superconductivity in YbSb2. A possible second superconducting state is observed in the radio-frequency susceptibility measurements, with Tc(2)≈ 0.41 K and Hc(2)≈ 430 Oe.

Trial wave functions for ring-trapped ions and neutral atoms: Microscopic description of the quantum space-time crystal

NASA Astrophysics Data System (ADS)

Yannouleas, Constantine; Landman, Uzi

2017-10-01

A constructive theoretical platform for the description of quantum space-time crystals uncovers for N interacting and ring-confined rotating particles the existence of low-lying states with proper space-time crystal behavior. The construction of the corresponding many-body trial wave functions proceeds first via symmetry breaking at the mean-field level followed by symmetry restoration using projection techniques. The ensuing correlated many-body wave functions are stationary states and preserve the rotational symmetries, and at the same time they reflect the point-group symmetries of the mean-field crystals. This behavior results in the emergence of sequences of select magic angular momenta Lm. For angular-momenta away from the magic values, the trial functions vanish. Symmetry breaking beyond the mean-field level can be induced by superpositions of such good-Lm many-body stationary states. We show that superposing a pair of adjacent magic angular momenta states leads to formation of special broken-symmetry states exhibiting quantum space-time-crystal behavior. In particular, the corresponding particle densities rotate around the ring, showing undamped and nondispersed periodic crystalline evolution in both space and time. The experimental synthesis of such quantum space-time-crystal wave packets is predicted to be favored in the vicinity of ground-state energy crossings of the Aharonov-Bohm-type spectra accessed via an externally applied, natural or synthetic, magnetic field. These results are illustrated here for Coulomb-repelling fermionic ions and for a lump of contact-interaction attracting bosons.

Crystallization kinetics of bioactive glasses in the ZnO-Na2O-CaO-SiO2 system.

PubMed

Malavasi, Gianluca; Lusvardi, Gigliola; Pedone, Alfonso; Menziani, Maria Cristina; Dappiaggi, Monica; Gualtieri, Alessandro; Menabue, Ledi

2007-08-30

The crystallization kinetics of Na(2)O.CaO.2SiO(2) (x = 0) and 0.68ZnO.Na(2)O.CaO.2SiO(2) (x = 0.68, where x is the ZnO stoichiometric coefficient in the glass formula) bioactive glasses have been studied using both nonisothermal and isothermal methods. The results obtained from isothermal XRPD analyses have showed that the first glass crystallizes into the isochemical Na(2)CaSi(2)O(6) phase, whereas the Na(2)ZnSiO(4) crystalline phase is obtained from the Zn-rich glass, in addition to Na(2)CaSi(2)O(6). The activation energy (Ea) for the crystallization of the Na(2)O.CaO.2SiO(2) glass is 193 +/- 10 and 203 +/- 5 kJ/mol from the isothermal in situ XRPD and nonisothermal DSC experiments, respectively. The Avrami exponent n determined from the isothermal method is 1 at low temperature (530 degrees C), and its value increases linearly with temperature increase up to 2 at 607 degrees C. For the crystallization of Na(2)CaSi(2)O(6) from the Zn-containing glass, higher values of both the crystallization temperature (667 and 661 degrees C) and Ea (223 +/- 10 and 211 +/- 5 kJ/mol) have been found from the isothermal and nonisothermal methods, respectively. The Na(2)ZnSiO(4) crystalline phase crystallizes at lower temperature with respect to Na(2)CaSi(2)O(6), and the Ea value is 266 +/- 20 and 245 +/- 15 kJ/mol from the isothermal and nonisothermal methods, respectively. The results of this work show that the addition of Zn favors the crystallization from the glass at lower temperature with respect to the Zn-free glass. In fact, it causes an increase of Ea for the Na diffusion process, determined using MD simulations, and consequently an overall increase of Ea for the crystallization process of Na(2)CaSi(2)O(6). Our results show good agreement between the Ea and n values obtained with the two different methods and confirm the reliability of the nonisothermal method applied to kinetic crystallization of glassy systems. This study allows the determination of the temperature stability field of the crystalline phases with the view of creating a different glass ceramic useful in the field of bioactive materials.

Crystal Structure Characterization of Thin Layer Zinc Oxide

NASA Astrophysics Data System (ADS)

Doyan, Aris; Susilawati; Azizatul Fitri, Siti; Ahzan, Sukainil

2017-05-01

In this research the characterization of the crystal structure of a thin layer of ZnO (zinc oxide) were synthesized by sol - gel method and spin coating deposited on a glass substrate. The samples were divided into three sol concentrations of 0.1, 0.3, 0.5 Molar and two deposition temperature is 350 °C, and 550 °C. UV-Vis. spectrophotometer results showed that in the spectrum of visible light (wavelength range 300-800 nm) has a transmittance value of which increases with increasing concentration and temperature deposition of zinc oxide, otherwise the value of the absorption and the band gap energy decreases with the addition of concentration and deposition temperature. The transmittances value of the highest and lowest absorption was 93.5% and 0.03 is at a concentration of 0.1 M and zinc oxide deposition temperature of 550 °C, with a value of band gap energy of 2.98 eV. The XRD results showed that the zinc oxide crystal orientation in the field of 013 with a crystal grain size 14.4472 nm. SEM results showed the surface morphology of zinc oxide such as rod-like.

Crystal structure of minoxidil at low temperature and polymorph prediction.

PubMed

Martín-Islán, Africa P; Martín-Ramos, Daniel; Sainz-Díaz, C Ignacio

2008-02-01

An experimental and theoretical investigation on crystal forms of the popular and ubiquitous pharmaceutical Minoxidil is presented here. A new crystallization method is presented for Minoxidil (6-(1-piperidinyl)-2,4-pyrimidinediamide 3-oxide) in ethanol-poly(ethylene glycol), yielding crystals with good quality. The crystal structure is determined at low temperature, with a final R value of 0.035, corresponding to space group P2(1) (monoclinic) with cell dimensions a = 9.357(1) A, b = 8.231(1) A, c = 12.931(2) A, and beta = 90.353(4) degrees . Theoretical calculations of the molecular structure of Minoxidil are set forward using empirical force fields and quantum-mechanical methods. A theoretical prediction for Minoxidil crystal structure shows many possible polymorphs. The predicted crystal structures are compared with X-ray experimental data obtained in our laboratory, and the experimental crystal form is found to be one of the lowest energy polymorphs.

Acceptor binding energies in GaN and AlN

NASA Astrophysics Data System (ADS)

Mireles, Francisco; Ulloa, Sergio E.

1998-08-01

We employ effective-mass theory for degenerate hole bands to calculate the acceptor binding energies for Be, Mg, Zn, Ca, C, and Si substitutional acceptors in GaN and AlN. The calculations are performed through the 6×6 Rashba-Sheka-Pikus and the Luttinger-Kohn matrix Hamiltonians for wurtzite (WZ) and zinc-blende (ZB) crystal phases, respectively. An analytic representation for the acceptor pseudopotential is used to introduce the specific nature of the impurity atoms. The energy shift due to polaron effects is also considered in this approach. The ionization energy estimates are in very good agreement with those reported experimentally in WZ GaN. The binding energies for ZB GaN acceptors are all predicted to be shallower than the corresponding impurities in the WZ phase. The binding-energy dependence upon the crystal-field splitting in WZ GaN is analyzed. Ionization levels in AlN are found to have similar ``shallow'' values to those in GaN, but with some important differences which depend on the band structure parametrizations, especially the value of the crystal-field splitting used.

A study on the magnetic susceptibilities and optical absorption spectra on single crystals of Gd(III) pyrogermanate

NASA Astrophysics Data System (ADS)

Kundu, T.; Ghosh, D.; Wanklyn, B. M.

1990-04-01

The paper reports for the first time the experimental results of the measurements of magnetic susceptibilities ( K⊥ and K|) and their anisotropy (Δ K) between 300 and 21.8 K and the optical absorption spectra (UV region) at 12.5 K on single crystals of gadolinium pyrogermanate (GdPG). The anisotropy, which is only 211×10 -6 emu/mol at room temperature and increases by two orders of magnitude at 21 K, is predominantly a crystal field (CF) effect on the 8S {7}/{2} ground term, through higher order perturbations. Interpretation of the observed magnetic data was carried out by considering a conventional spin Hamiltonian ( Hs) to derive expressions for K⊥ and K| in terms of four effective crystal field parameters (ECFP). The value s of ECFP were varied to obtain a very close fitting between the theoretical and experimental values of K⊥, K|, δ K and K¯ The splitting of the 8S {7}/{2} term corresponding to these values of ECFP was found to be large, which suggests a strong CF effect in GdPG, as also observed in other RPG crystal studied earlier. The thermal characteristics of the magnetic anisotropy below 30 K deviate by about 5% which could not be explained by CF effects alone. A series expansion method was adopted to analyse the results of K⊥ and K| below 30 K, however the corresponding coefficient B2α and B3α were observed t o be unusually high indicating the presence of CF effect even in this temperature region. The Schottky specific heat, Csch, between 300 and 21 K for GdPG has been calculated and this shows a maximum at Tmax=17 K.

Correlation of EMR and optical spectroscopy data for Cr3+ and Mn2+ ions doped into yttrium aluminum borate YAl3(BO3)4 crystal - Extracting low symmetry aspects

NASA Astrophysics Data System (ADS)

Rudowicz, Czesław; Gnutek, Paweł; Açıkgöz, Muhammed

2015-08-01

In this study, the crystal field analysis for Cr3+ and Mn2+ ions doped into yttrium aluminum borate YAl3(BO3)4, for short YAB, crystal has been carried out to complement earlier study of the zero-field splitting (ZFS) parameters (ZFSPs). This analysis utilizes data on the distortion models obtained from analysis of the ZFSPs obtained experimentally by EMR for Cr3+ and Mn2+ ions at the Y3+ and Al3+ sites in YAB. This approach enables to verify and enhance reliability of the ZFSP modeling based on superposition model (SPM) analysis and the distortion models predicted previously. Subsequently, modeling of the crystal field parameters (CFPs) based on SPM analysis is carried out for Cr3+ and Mn2+ ions located at possible cation sites in YAB. The SPM predicted CFP values serve as input for the Crystal Field Analysis (CFA) package to calculate the CF energy levels. The predicted physical ZFS of the ground spin state, i.e. the 4A2 state for Cr3+ ion and the 6S state Mn2+ ions, enable calculation of the theoretical ZFSP values, D and D & (a-F), respectively, using the microscopic spin Hamiltonian (MSH) module in the CFA package. In this way, data on the distortions around the Cr3+ centers in YAB (and to a certain extent also for Mn2+ centers) obtained using the ZFSP data from EMR measurements may be correlated with data on the CF energy levels measured by optical spectroscopy. This modeling approach uncovers certain incompatibilities in the existing data for Cr3+:YAB, which call for reanalysis of the previous assignments of the energy levels observed in optical spectra and more accurate experimental data.

First principles crystal engineering of nonlinear optical materials. I. Prototypical case of urea

NASA Astrophysics Data System (ADS)

Masunov, Artëm E.; Tannu, Arman; Dyakov, Alexander A.; Matveeva, Anastasia D.; Freidzon, Alexandra Ya.; Odinokov, Alexey V.; Bagaturyants, Alexander A.

2017-06-01

The crystalline materials with nonlinear optical (NLO) properties are critically important for several technological applications, including nanophotonic and second harmonic generation devices. Urea is often considered to be a standard NLO material, due to the combination of non-centrosymmetric crystal packing and capacity for intramolecular charge transfer. Various approaches to crystal engineering of non-centrosymmetric molecular materials were reported in the literature. Here we propose using global lattice energy minimization to predict the crystal packing from the first principles. We developed a methodology that includes the following: (1) parameter derivation for polarizable force field AMOEBA; (2) local minimizations of crystal structures with these parameters, combined with the evolutionary algorithm for a global minimum search, implemented in program USPEX; (3) filtering out duplicate polymorphs produced; (4) reoptimization and final ranking based on density functional theory (DFT) with many-body dispersion (MBD) correction; and (5) prediction of the second-order susceptibility tensor by finite field approach. This methodology was applied to predict virtual urea polymorphs. After filtering based on packing similarity, only two distinct packing modes were predicted: one experimental and one hypothetical. DFT + MBD ranking established non-centrosymmetric crystal packing as the global minimum, in agreement with the experiment. Finite field approach was used to predict nonlinear susceptibility, and H-bonding was found to account for a 2.5-fold increase in molecular hyperpolarizability to the bulk value.

Fatigue effect in ferroelectric crystals: Growth of the frozen domains

NASA Astrophysics Data System (ADS)

Shur, V. Ya.; Akhmatkhanov, A. R.; Baturin, I. S.

2012-06-01

The model of the fatigue effect during cyclic switching caused by growth of the frozen domain area with charged domain walls has been proposed. It was claimed on the basis of the previous experimental results that for switching in increasing field the frozen domain area started to grow at the given sub-threshold field value and stopped at the threshold field. The influence of the shape and frequency of the field pulses used for cyclic switching has been considered. The uniaxial ferroelectric stoichiometric lithium tantalate single crystals produced by vapor transport equilibration with record low value of coercive field have been chosen as a model material for experimental verification of the model. The formation of the charged domain walls as a result of cyclic switching has been revealed by analysis of the domain images obtained by optical and Raman confocal microscopy. It has been shown that the fatigue degree is equal to the fraction of the frozen domain area. The experimental dependence of the switched charge on the cycle number has been successfully fitted by modified Kolmogorov-Avrami formula. The experimentally observed frequency independence of fatigue profile for rectangular pulses and frequency dependence for triangular pulses has been explained by proposed model.

Single crystal EPR, optical absorption and superposition model study of Cr3+ doped ammonium dihydrogen phosphate.

PubMed

Kripal, Ram; Pandey, Sangita

2010-06-01

The electron paramagnetic resonance (EPR) studies are carried out on Cr(3+) ion doped ammonium dihydrogen phosphate (ADP) single crystals at room temperature. Four magnetically inequivalent sites for chromium are observed. No hyperfine structure is obtained. The crystal-field and spin Hamiltonian parameters are calculated from the resonance lines obtained at different angular rotations. The zero field and spin Hamiltonian parameters of Cr(3+) ion in ADP are calculated as: |D|=(257+/-2) x 10(-4) cm(-1), |E|=(79+/-2) x 10(-4) cm(-1), g=1.9724+/-0.0002 for site I; |D|=(257+/-2) x 10(-4) cm(-1), |E|=(77+/-2) x 10(-4) cm(-1), g=1.9727+/-0.0002 for site II; |D|=(259+/-2) x 10(-4) cm(-1), |E|=(78+/-2) x 10(-4) cm(-1), g=1.9733+/-0.0002 for site III; |D|=(259+/-2) x 10(-4) cm(-1), |E|=(77+/-2) x 10(-4) cm(-1), g=1.973+/-0.0002 for site IV, respectively. The site symmetry of Cr(3+) doped single crystal is discussed on the basis of EPR data. The Cr(3+) ion enters the lattice substitutionally replacing the NH(4)(+) sites. The optical absorption spectra are recorded in 195-925 nm wavelength range at room temperature. The energy values of different orbital levels are determined. On the basis of EPR and optical data, the nature of bonding in the crystal is discussed. The calculated values of Racah interelectronic repulsion parameters (B and C), cubic crystal-field splitting parameter (D(q)) and nephelauxetic parameters (h and k) are: B=640, C=3070, D(q)=2067 cm(-1), h=1.44 and k=0.21, respectively. ZFS parameters are also determined using B(kq) parameters from superposition model. Copyright 2010 Elsevier B.V. All rights reserved.

NMR study of the paramagnetic state of low-dimensional magnets LiCu{sub 2}O{sub 2} and NaCu{sub 2}O{sub 2}

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

Sadykov, A. F., E-mail: sadykov@imp.uran.ru; Piskunov, Yu. V.; Gerashchenko, A. P.

A comprehensive NMR study of the magnetic properties of single crystal LiCu{sub 2}O{sub 2} (LCO) and NaCu{sub 2}O{sub 2} (NCO) is carried out in the paramagnetic region of the compounds for various orientations of single crystals in an external magnetic field. The values of the electric-field gradient (EFG) tensor, as well as the dipole and transferred hyperfine magnetic fields for {sup 63,65}Cu, {sup 7}Li, and {sup 23}Na nuclei are determined. The results are compared with the data obtained in previous NMR studies of the magnetically ordered state of LCO/NCO cuprates.

Thermally Assisted Macroscopic Quantum Resonance on a Single-Crystal of Mn12-ac

NASA Astrophysics Data System (ADS)

Lionti, F.; Thomas, L.; Ballou, R.; Wernsdorfer, W.; Barbara, B.; Sulpice, A.; Sessoli, R.; Gatteschi, D.

1997-03-01

Magnetization measurements have been performed on a single mono-crystal of the molecule Mn12-acetate (L. Thomas, F. Lionti, R. Ballou, R. Sessoli, D. Gatteschi and B. Barbara, Nature, 383, 145 (1996).). Steps were observed in the hysteresis loop for values of the applied field at which level crossings of the collective spin states of each manganese clusters take place. The influence of quartic terms is taken into account. At these fields, the magnetization relaxes at short time scales, being otherwise essentially blocked. This novel behavior is interpreted in terms of resonant quantum tunneling of the magnetization from thermally activated energy levels. Hysteresis loop measurements performed for different field orientations and ac-susceptibility experiments, confirm general trends of this picture.

Experimental study of strong nonlinear-optics effects in liquid crystals

NASA Astrophysics Data System (ADS)

Darbin, S. D.; Arakelyan, S. M.; Cheung, M. M.; Shen, Y. R.

1984-07-01

Nonlinear optical effects that arise in nematic liquid crystals as a result of a change in the index of refraction induced by a laser field are considered. Since the resultant nonlinearity is extremely high, the approximation of perturbation theory cannot be used in calculations. However, the change in refractive index results mainly in phase advance as waves propagate through a thin film of liquid crystal, while the change of intensity is significant. Moreover, if there is no change in polarization of the pumping field, calculations are relatively simple. An investigation is made of the propagation of a cross sectionally bounded laser beam through a homeotropically oriented liquid crystal, giving rise to spatial phase modulation of emission. When the intensity of the laser beam exceeds a certain value, a system of aberation rings is observed in the output radiation. Effects of dynamic self-diffraction accompanying degenerate four-wave mixing when a change in refractive index is induced in a homeotropic liquid crystal film, and optical bistability in a nonlinear Fabry-Perot optical cavity, as well as generation of a self-oscillatory state in such a resonator are discussed.

Growth and characterization of unidirectional benzil single crystal for photonic applications

NASA Astrophysics Data System (ADS)

Saranraj, A.; Thirupathy, J.; Dhas, S. Sahaya Jude; Jose, M.; Vinitha, G.; Dhas, S. A. Martin Britto

2018-06-01

Organic nonlinear optical benzil single crystal of fine quality with the dimensions of 168 × 14 mm2 was successfully grown in (100) plane from saturated solution by unidirectional SR method. The structural identity of the grown crystal was confirmed by powder XRD. High-resolution X-ray diffraction analysis indicates the crystalline perfection of the grown benzil crystal. The optical analysis was carried out by UV-visible spectroscopy which shows that the benzil crystal's cut off wavelength is 437 nm. The dielectric constant and dielectric loss of benzil crystal are found to be very much depending upon temperature and frequency. Ferroelectric nature of grown crystal was identified by P- E hysteresis analysis and to find the values of spontaneous polarization and coercive field. The laser damage threshold energy was studied with the help of Nd:YAG laser. The presence of third harmonic generation was identified by z-scan techniques.

Effect of H{sup +} implantation on the optical properties of semi-insulating GaAs crystals in the IR spectral region

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

Klyui, N. I.; Lozinskii, V. B., E-mail: lvb@isp.kiev.ua; Liptuga, A. I.

2017-03-15

The optical properties of semi-insulating GaAs crystals subjected to multienergy hydrogen-ion implantation and treatment in a high-frequency electromagnetic field are studied in the infrared spectral region. It is established that such combined treatment provides a means for substantially increasing the transmittance of GaAs crystals to values characteristic of crystals of high optical quality. On the basis of analysis of the infrared transmittance and reflectance data, Raman spectroscopy data, and atomic-force microscopy data on the surface morphology of the crystals, a physical model is proposed to interpret the effects experimentally observed in the crystals. The model takes into account the interactionmore » of radiation defects with the initial structural defects in the crystals as well as the effect of compensation of defect centers by hydrogen during high-frequency treatment.« less

EPR investigation of gamma irradiated single crystal guaifenesin: A combined experimental and computational study

NASA Astrophysics Data System (ADS)

Tasdemir, Halil Ugur; Sayin, Ulku; Türkkan, Ercan; Ozmen, Ayhan

2016-04-01

Gamma irradiated single crystal of Guaifenesin (Glyceryl Guaiacolate), an important expectorant drug, were investigated with Electron Paramagnetic Resonance (EPR) spectroscopy between 123 and 333 K temperature at different orientations in the magnetic field. Considering the chemical structure and the experimental spectra of the gamma irradiated single crystal of guaifenesin sample, we assumed that alkoxy or alkyl-type paramagnetic species may be produced by irradiation. Depending on this assumption, eight possible alkoxy and alkyl-type radicals were modeled and EPR parameters of these modeled radicals were calculated using the B3LYP/6-311++G(d,p)-level of density functional theory (DFT). Theoretically calculated values of alkyl-type modeled radical(R3) are in good agreement with experimentally determined EPR parameters of single crystal. Furthermore, simulation spectra which are obtained by using the theoretical initial values are well matched with the experimental spectra. It was determined that a stable Cα •H2αCβHβCγH2γ (R3) alkyl radical was produced in the host crystal as a result of gamma irradiation.

Magnetic anisotropy behaviour of pyrrhotite as determined by low- and high-field experiments

NASA Astrophysics Data System (ADS)

Martín-Hernández, F.; Dekkers, M. J.; Bominaar-Silkens, I. M. A.; Maan, J. C.

2008-07-01

Here we report on the sources of magnetic anisotropy in pyrrhotite, an iron sulphide present in many rocks as an important carrier of the Natural Remanent Magnetization. While the magnetic hysteresis parameters of pyrrhotite are well known, the existing database concerning its anisotropy behaviour is patchy and ambiguous. Therefore, a collection of 11 seemingly single crystals of natural pyrrhotite was scrutinized. Before embarking on the anisotropy determinations the set of single crystals was extensively characterized rock magnetically by measuring Curie temperatures, hysteresis loops, IRM acquisition curves, and FORC diagrams (the latter three all at room temperature). First the variation of the low-field susceptibility as function of applied field and grain size was evaluated for fields ranging from 1 to 450 A m-1. Existing grain size dependent data and the present larger crystals show a logarithmic grain size dependence. This enables estimating the grain size for unimodal pyrrhotite distributions in rocks. Measured trends are better fitted with an exponential function than with a Rayleigh Law style function. Based on the rock magnetic characterization and the behaviour of the anisotropy of magnetic susceptibility six samples (of the original 11) were selected for the high-field anisotropy determinations within the basal plane. Those data were acquired with a torque cantilever-type magnetometer. As expected, most single crystals showed a pure 6-θ curve within their basal plane because of the easy axis configuration. In some crystals, however, lower harmonic terms overlapped the 6-θ term. This may be the dominant source of the observed variation in magnetic anisotropy properties. Torque data of three of the six samples were of sufficient quality to allow evaluation of K1. Re-evaluation of existing torque data and including the present newly derived determinations, yields for the anisotropy constant of pyrrhotite within the basal plane K1: (2.7 +/- 0.2) 104 Jm-3. This is over an order of magnitude more precise than the sparse existing K1 data; only the value reported by Mikami and co-authors in 1959 agrees with the new determination. With this firmly established K1 value meaningful anisotropy models are now possible for pyrrhotite-bearing rocks.

Resonant spin tunneling in randomly oriented nanospheres of Mn 12 acetate

DOE PAGES

Lendínez, S.; Zarzuela, R.; Tejada, J.; ...

2015-01-06

We report measurements and theoretical analysis of resonant spin tunneling in randomly oriented nanospheres of a molecular magnet. Amorphous nanospheres of Mn₁₂ acetate have been fabricated and characterized by chemical, infrared, TEM, X-ray, and magnetic methods. Magnetic measurements have revealed sharp tunneling peaks in the field derivative of the magnetization that occur at the typical resonant field values for the Mn₁₂ acetate crystal in the field parallel to the easy axis.Theoretical analysis is provided that explains these observations. We argue that resonant spin tunneling in a molecular magnet can be established in a powder sample, without the need for amore » single crystal and without aligning the easy magnetization axes of the molecules. This is confirmed by re-analyzing the old data on a powdered sample of non-oriented micron-size crystals of Mn₁₂ acetate. In conclusion, our findings can greatly simplify the selection of candidates for quantum spin tunneling among newly synthesized molecular magnets.« less

Resonant spin tunneling in randomly oriented nanospheres of Mn 12 acetate

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

Lendínez, S.; Zarzuela, R.; Tejada, J.

We report measurements and theoretical analysis of resonant spin tunneling in randomly oriented nanospheres of a molecular magnet. Amorphous nanospheres of Mn₁₂ acetate have been fabricated and characterized by chemical, infrared, TEM, X-ray, and magnetic methods. Magnetic measurements have revealed sharp tunneling peaks in the field derivative of the magnetization that occur at the typical resonant field values for the Mn₁₂ acetate crystal in the field parallel to the easy axis.Theoretical analysis is provided that explains these observations. We argue that resonant spin tunneling in a molecular magnet can be established in a powder sample, without the need for amore » single crystal and without aligning the easy magnetization axes of the molecules. This is confirmed by re-analyzing the old data on a powdered sample of non-oriented micron-size crystals of Mn₁₂ acetate. In conclusion, our findings can greatly simplify the selection of candidates for quantum spin tunneling among newly synthesized molecular magnets.« less

Spectroscopic studies and crystal-field analyses of Am{sup 3+}: LiYF{sub 4}

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

Cavellec, R.; Hubert, S.; Simoni, E.

1997-03-01

Fluorescence and laser selective excitation spectroscopy have been used to investigate the electronic energy level structure of the actinide Am{sup 3+} (5{line_integral}{sup 6}) in LiYF{sub 4}. From the analysis of the fluorescence in the visible and infrared spectra obtained at 10K, 29 crystal-field levels have been assigned in the D{sub 2d} approximation. Zeeman splitting observation permits one to index some doubly degenerated {Gamma}{sub 5} levels. The phenomenological crystal-field parameters have been calculated in the D{sub 2d} approximation. A least-square adjustment yields a mean error of 38 cm{sup {minus}1} with the following values (in cm{sup {minus}1}) of the B{sub q}{sup k}more » parameters: B{sub O}{sup 2} = 473, B{sub 0}{sup 4} = -1776, B{sub 4}{sup 4}=2253, B{sub 0}{sup 6} = 80, and B{sub 4}{sup 6} = -2222.« less

A 106-fold enhancement in the conductivity of a discotic liquid crystal doped with only 1% (w/w) gold nanoparticles

NASA Astrophysics Data System (ADS)

Holt, Lucy A.; Bushby, Richard J.; Evans, Stephen D.; Burgess, Andrew; Seeley, Gordon

2008-03-01

The presence of 1% (w/w) of methylbenzene thiol coated gold nanoparticles increases the conductivity of the discotic liquid crystal 2,3,6,7,10,11-hexakis(hexyloxy)triphenylene (HAT6) by about two orders of magnitude in all three phases (crystal, columnar liquid crystal, and isotropic liquid). However, when a field (above a certain critical value) is applied to the isotropic phase, the conductivity rapidly increases by another three or four orders of magnitude after which the higher conductivity is maintained regardless of phase, field, or temperature. This increase in conductivity is attributed to the formation of chains of gold nanoparticles. A similar phenomenon is observed for 1% (w/w) gold nanoparticles in the isotropic phase of hexadecane. However, the liquid crystal/nanoparticle mixture preserves its high conductivity when it is cooled into the crystalline phase whereas that of the hexadecane/nanoparticle mixture is lost. In hexadecane, crystal grain boundaries are expected to form in a random fashion and this disrupts the conductive pathways. However, if HAT6 crystallizes via the homeotropically aligned columnar phase, the grain boundaries form predominantly surface to surface (electrode to electrode) so that the conductive nanoparticle chains are trapped in a stabilizing solid matrix.

Theoretical study of local structure for Ni2+ ions at tetragonal sites in K2ZnF4:Ni2+ system.

PubMed

Wang, Su-Juan; Kuang, Xiao-Yu; Lu, Cheng

2008-12-15

A theoretical method for studying the local lattice structure of Ni2+ ions in (NiF6)(4-) coordination complex is presented. Using the ligand-field model, the formulas relating the microscopic spin Hamiltonian parameters with the crystal structure parameters are derived. Based on the theoretical formulas, the 45 x 45 complete energy matrices for d8 (d2) configuration ions in a tetragonal ligand-field are constructed. By diagonalizing the complete energy matrices, the local distortion structure parameters (R perpendicular and R || ) of Ni2+ ions in K2ZnF4:Ni2+ system have been investigated. The theoretical results are accorded well with the experimental values. Moreover, to understand the detailed physical and chemical properties of the fluoroperovskite crystals, the theoretical values of the g factor of K2ZnF4:Ni2+ system at 78 and 290 K are reported first.

Theoretical study of local structure for Ni 2+ ions at tetragonal sites in K 2ZnF 4:Ni 2+ system

NASA Astrophysics Data System (ADS)

Wang, Su-Juan; Kuang, Xiao-Yu; Lu, Cheng

2008-12-01

A theoretical method for studying the local lattice structure of Ni 2+ ions in (NiF 6) 4- coordination complex is presented. Using the ligand-field model, the formulas relating the microscopic spin Hamiltonian parameters with the crystal structure parameters are derived. Based on the theoretical formulas, the 45 × 45 complete energy matrices for d8 ( d2) configuration ions in a tetragonal ligand-field are constructed. By diagonalizing the complete energy matrices, the local distortion structure parameters ( R⊥ and R||) of Ni 2+ ions in K 2ZnF 4:Ni 2+ system have been investigated. The theoretical results are accorded well with the experimental values. Moreover, to understand the detailed physical and chemical properties of the fluoroperovskite crystals, the theoretical values of the g factor of K 2ZnF 4:Ni 2+ system at 78 and 290 K are reported first.

Synthesis, anisotropy, and superconducting properties of LiFeAs single crystal

NASA Astrophysics Data System (ADS)

Song, Yoo Jang; Ghim, Jin Soo; Min, Byeong Hun; Kwon, Yong Seung; Jung, Myung Hwa; Rhyee, Jong-Soo

2010-05-01

A LiFeAs single crystal with Tconset˜19.7 K was grown in a sealed tungsten crucible using the Bridgeman method. The electrical resistivity experiments revealed a ratio of room temperature to residual resistivity of approximately 46 and 18 for the in-plane and out-of plane directions, respectively. The estimated anisotropic resistivity, γρ=ρc/ρab, was approximately 3.3 at Tconset. The upper critical fields had large Hc2∥ab and Hc2∥c values of 83.4 T and 72.5 T, respectively, and an anisotropy ratio is γH=Hc2∥ab/Hc2∥c˜1.15. The high upper critical field value and small anisotropy highlight the potential use of LiFeAs in a variety of applications. The calculated critical current density (Jc) from the M-H loop is approximately 103 A/cm2

Effect of amino acid doping on the growth and ferroelectric properties of triglycine sulphate single crystals

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

Raghavan, C.M.; Sankar, R.; Mohan Kumar, R.

2008-02-05

Effect of amino acids (L-leucine and isoleucine) doping on the growth aspects and ferroelectric properties of triglycine sulphate crystals has been studied. Pure and doped crystals were grown from aqueous solution by low temperature solution growth technique. The cell parameter values were found to significantly vary for doped crystals. Fourier transform infrared analysis confirmed the presence of functional groups in the grown crystal. Morphology study reveals that amino acid doping induces faster growth rate along b-direction leading to a wide b-plane and hence suitable for pyroelectric detector applications. Ferroelectric domain structure has been studied by atomic force microscopy and hysteresismore » measurements reveal an increase of coercive field due to the formation of single domain pattern.« less

Manipulating femtosecond pulse shape using liquid crystals infiltrated one-dimensional graded index photonic crystal waveguides composed of coupled-cavities

NASA Astrophysics Data System (ADS)

Fathollahi Khalkhali, T.; Bananej, A.

2017-10-01

In this paper, we investigate the transmission of a 10-femtosecond pulse through an ordinary and graded index coupled-cavity waveguide, using finite-difference time-domain and transfer matrix method. The ordinary structure is composed of dielectric/liquid crystal layers in which four defect layers are placed symmetrically. Next, we introduce a graded structure based on the ordinary system in which dielectric refractive index slightly increases with a constant step value from the beginning to the end of the structure while liquid crystal layers are maintained unchanged. Simulation results reveal that by applying an external static electric field and controlling liquid crystal refractive index in graded structure, it is possible to transmit an ultrashort pulse with negligible distortion and attenuation.

Magneto-optic dynamics in a ferromagnetic nematic liquid crystal

NASA Astrophysics Data System (ADS)

Potisk, Tilen; Mertelj, Alenka; Sebastián, Nerea; Osterman, Natan; Lisjak, Darja; Brand, Helmut R.; Pleiner, Harald; Svenšek, Daniel

2018-01-01

We investigate dynamic magneto-optic effects in a ferromagnetic nematic liquid crystal experimentally and theoretically. Experimentally we measure the magnetization and the phase difference of the transmitted light when an external magnetic field is applied. As a model we study the coupled dynamics of the magnetization, M , and the director field, n , associated with the liquid crystalline orientational order. We demonstrate that the experimentally studied macroscopic dynamic behavior reveals the importance of a dynamic cross-coupling between M and n . The experimental data are used to extract the value of the dissipative cross-coupling coefficient. We also make concrete predictions about how reversible cross-coupling terms between the magnetization and the director could be detected experimentally by measurements of the transmitted light intensity as well as by analyzing the azimuthal angle of the magnetization and the director out of the plane spanned by the anchoring axis and the external magnetic field. We derive the eigenmodes of the coupled system and study their relaxation rates. We show that in the usual experimental setup used for measuring the relaxation rates of the splay-bend or twist-bend eigenmodes of a nematic liquid crystal one expects for a ferromagnetic nematic liquid crystal a mixture of at least two eigenmodes.

EPR and optical absorption studies of paramagnetic molecular ion (VO2+) in Lithium Sodium Acid Phthalate single crystal

NASA Astrophysics Data System (ADS)

Subbulakshmi, N.; Kumar, M. Saravana; Sheela, K. Juliet; Krishnan, S. Radha; Shanmugam, V. M.; Subramanian, P.

2017-12-01

Electron Paramagnetic Resonance (EPR) spectroscopic studies of VO2+ ions as paramagnetic impurity in Lithium Sodium Acid Phthalate (LiNaP) single crystal have been done at room temperature on X-Band microwave frequency. The lattice parameter values are obtained for the chosen system from Single crystal X-ray diffraction study. Among the number of hyperfine lines in the EPR spectra only two sets are reported from EPR data. The principal values of g and A tensors are evaluated for the two different VO2+ sites I and II. They possess the crystalline field around the VO2+ as orthorhombic. Site II VO2+ ion is identified as substitutional in place of Na1 location and the other site I is identified as interstitial location. For both sites in LiNaP, VO2+ are identified in octahedral coordination with tetragonal distortion as seen from the spin Hamiltonian parameter values. The ground state of vanadyl ion in the LiNaP single crystal is dxy. Using optical absorption data the octahedral and tetragonal parameters are calculated. By correlating EPR and optical data, the molecular orbital bonding parameters have been discussed for both sites.

Research on the optical and EPR spectral data and the local structure for the trigonal Mn4+ centers in MgTiO3 crystal

NASA Astrophysics Data System (ADS)

Liao, Bi-Tao; Mei, Yang; Chen, Bo-Wei; Zheng, Wen-Chen

2017-07-01

The optical bands and EPR (or spin-Hamiltonian) parameters (g factors g//, g⊥ and zero-field splitting D) for Mn4+ ions at the trigonal octahedral Ti4+ site of MgTiO3 crystal are uniformly computed by virtue of the complete diagonalization (of energy matrix) method based on the two-spin-orbit-parameter model, where besides the effects of spin-orbit parameter of central dn ion on the spectral data (in the classical crystal field theory), those of ligands are also contained. The computed eight optical and EPR spectral data with four suitable adjustable parameters (note: differing from those in the previous work within cubic symmetry approximation where the used Racah parameters violate the nephelauxetic effect, the present Racah parameters obey the effect and hence are suitable) are rationally coincident with the experimental values. In particular, the calculated ground state splitting 2D, the first excited splitting ΔE(2E) and g-anisotropy Δg (=g//-g⊥) (they depend strongly on the angular distortion of d3 centers) are in excellent agreement with the observed values, suggesting that the angular distortions caused by the impurity-induced local lattice relaxation obtained from the above calculation for the trigonal Mn4+ impurity center in MgTiO3: Mn4+ crystal seem to be acceptable.

Synthesis, optical, experimental and theoretical investigation of third order nonlinear optical properties of 8-hydroxyquinolinium 2-carboxy-6-nitrophthalate monohydrate single crystal

NASA Astrophysics Data System (ADS)

Bharathi, M. Divya; Bhuvaneswari, R.; Srividya, J.; Vinitha, G.; Prithiviraajan, R. N.; Anbalagan, G.

2018-02-01

Single crystals of 8-hydroxyquinolinium 2-carboxy-6-nitrophthalate monohydrate (8HQNP) were obtained from slow evaporation solution growth method using methanol-water (1:1) as a solvent. Powder X-ray diffraction was utilized to compute the unit cell parameters and dislocation density of 8HQNP crystal. The crystalline perfection of the as-grown crystal was investigated by high-resolution X-ray diffraction at room temperature. The molecular structure was analyzed by identifying the functional groups from FT-IR and FT-Raman spectra. The cut-off wavelength and the corresponding optical band gap obtained from an optical spectrum were 376 nm and 3.29 eV respectively. The dispersion nature of refractive index was investigated by the single-oscillator Wemple and Di-Domenico model. Red emission was observed in the photoluminescence spectrum when excited with 376 nm. The low birefringence and high laser damage threshold (8.538 GW/cm2) values dictate the suitability of the crystal for optical devices. Z-scan studies revealed the third order nonlinear absorption coefficient (β) and refractive index (n2) of the 8HQNP crystal. The theoretical value of third order nonlinear susceptibility obtained from density function theory is good accordance with the experimental value. The frontier molecular orbital energy gap decreases with increasing external electric field in different directions which attributed to the enhancement of the second hyperpolarizability. The grown title crystal is thermally stable up to 102 °C which was identified using thermal analysis. Mechanical strength of 8HQNP was estimated by using Vicker's microhardness studies.

Energy levels scheme simulation of divalent cobalt doped bismuth germanate

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

Andreici, Emiliana-Laura, E-mail: andreicilaura@yahoo.com; Petkova, Petya; Avram, Nicolae M.

The aim of this paper is to simulate the energy levels scheme for Bismuth Germanate (BGO) doped with divalent cobalt, in order to give a reliable explanation for spectral experimental data. In the semiempirical crystal field theory we first modeled the Crystal Field Parameters (CFPs) of BGO:Cr{sup 2+} system, in the frame of Exchange Charge Model (ECM), with actually site symmetry of the impurity ions after doping. The values of CFPs depend on the geometry of doped host matrix and by parameter G of ECM. First, we optimized the geometry of undoped BGO host matrix and afterwards, that of dopedmore » BGO with divalent cobalt. The charges effect of ligands and covalence bonding between cobalt cations and oxygen anions, in the cluster approach, also were taken into account. With the obtained values of the CFPs we simulate the energy levels scheme of cobalt ions, by diagonalizing the matrix of the doped crystal Hamiltonian. Obviously, energy levels and estimated Racah parameters B and C were compared with the experimental spectroscopic data and discussed. Comparison of obtained results with experimental data shows quite satisfactory, which justify the model and simulation schemes used for the title system.« less

SEMICONDUCTOR MATERIALS: Chemical etching of a GaSb crystal incorporated with Mn grown by the Bridgman method under microgravity conditions

NASA Astrophysics Data System (ADS)

Xiaofeng, Chen; Nuofu, Chen; Jinliang, Wu; Xiulan, Zhang; Chunlin, Chai; Yude, Yu

2009-08-01

A GaSb crystal incorporated with Mn has been grown by the Bridgman method on the Polizon facility onboard the FOTON-M3 spacecraft. Structural defects and growth striations have been successfully revealed by the chemical etching method. By calculating various parameters of the convection, the striation patterns can be explained, and the critical value of the Taylor number, which characterizes the convective condition of the rotating magnetic field induced azimuthal flow, was shown. The stresses generated during crystal growth can be reflected by the observations of etch pit distribution and other structural defects. Suggestions for improving the space experiment to improve the quality of the crystal are given.

Solubility of NaCl in water and its melting point by molecular dynamics in the slab geometry and a new BK3-compatible force field

NASA Astrophysics Data System (ADS)

Kolafa, Jiří

2016-11-01

Saturated concentration of rock salt in water is determined by a simulation of brine in contact with a crystal in the slab geometry. The NaCl crystals are rotated to expose facets with higher Miller indices than [001] to brine. The rock salt melting point is obtained by both the standard and adiabatic simulations in the slab geometry with attention paid to finite size effects as well as to a possible influence of facets with higher Miller indices and applied stress. Two force fields are used, the Lennard-Jones-based model by Young and Cheatham with SPC/E water and the Kiss and Baranyai polarizable model with BK3 water. The latter model is refitted to thermomechanical properties of crystal NaCl leading to better values of solubility and the melting point.

Solubility of NaCl in water and its melting point by molecular dynamics in the slab geometry and a new BK3-compatible force field.

PubMed

Kolafa, Jiří

2016-11-28

Saturated concentration of rock salt in water is determined by a simulation of brine in contact with a crystal in the slab geometry. The NaCl crystals are rotated to expose facets with higher Miller indices than [001] to brine. The rock salt melting point is obtained by both the standard and adiabatic simulations in the slab geometry with attention paid to finite size effects as well as to a possible influence of facets with higher Miller indices and applied stress. Two force fields are used, the Lennard-Jones-based model by Young and Cheatham with SPC/E water and the Kiss and Baranyai polarizable model with BK3 water. The latter model is refitted to thermomechanical properties of crystal NaCl leading to better values of solubility and the melting point.

Semiconductor Crystal Growth in Static and Rotating Magnetic fields

NASA Technical Reports Server (NTRS)

Volz, Martin

2004-01-01

Magnetic fields have been applied during the growth of bulk semiconductor crystals to control the convective flow behavior of the melt. A static magnetic field established Lorentz forces which tend to reduce the convective intensity in the melt. At sufficiently high magnetic field strengths, a boundary layer is established ahead of the solid-liquid interface where mass transport is dominated by diffusion. This can have a significant effect on segregation behavior and can eliminate striations in grown crystals resulting from convective instabilities. Experiments on dilute (Ge:Ga) and solid solution (Ge-Si) semiconductor systems show a transition from a completely mixed convective state to a diffusion-controlled state between 0 and 5 Tesla. In HgCdTe, radial segregation approached the diffusion limited regime and the curvature of the solid-liquid interface was reduced by a factor of 3 during growth in magnetic fields in excess of 0.5 Tesla. Convection can also be controlled during growth at reduced gravitational levels. However, the direction of the residual steady-state acceleration vector can compromise this effect if it cannot be controlled. A magnetic field in reduced gravity can suppress disturbances caused by residual transverse accelerations and by random non-steady accelerations. Indeed, a joint program between NASA and the NHMFL resulted in the construction of a prototype spaceflight magnet for crystal growth applications. An alternative to the suppression of convection by static magnetic fields and reduced gravity is the imposition of controlled steady flow generated by rotating magnetic fields (RMF)'s. The potential benefits of an RMF include homogenization of the melt temperature and concentration distribution, and control of the solid-liquid interface shape. Adjusting the strength and frequency of the applied magnetic field allows tailoring of the resultant flow field. A limitation of RMF's is that they introduce deleterious instabilities above a critical magnetic field value. Growth conditions in which static magnetic fields rotational magnetic fields, and reduced gravitational levels can have a beneficial role will be described.

Static Magnetic Fields in Semiconductor Floating-Zone Growth

NASA Technical Reports Server (NTRS)

Croll, Arne; Benz, K. W.

1999-01-01

Heat and mass transfer in semiconductor float-zone processing are strongly influenced by convective flows in the zone, originating from sources such as buoyancy convection, thermocapillary (Marangoni) convection, differential rotation, or radio frequency heating. Because semiconductor melts are conducting, flows can be damped by the use of static magnetic fields to influence the interface shape and the segregation of dopants and impurities. An important objective is often the suppression of time-dependent flows and the ensuing dopant striations. In RF-heated Si-FZ - crystals, fields up to O.STesla show some flattening of the interface curvature and a reduction of striation amplitudes. In radiation-heated (small-scale) SI-FZ crystals, fields of 0.2 - 0.5 Tesla already suppress the majority of the dopant striations. The uniformity of the radial segregation is often compromised by using a magnetic field, due to the directional nature of the damping. Transverse fields lead to an asymmetric interface shape and thus require crystal rotation (resulting in rotational dopant striations) to achieve a radially symmetric interface, whereas axial fields introduce a coring effect. A complete suppression of dopant striations and a reduction of the coring to insignificant values, combined with a shift of the axial segregation profile towards a more diffusion-limited case, are possible with axial static fields in excess of 1 Tesla. Strong static magnetic fields, however, can also lead to the appearance of thermoelectromagnetic convection, caused by the interaction of thermoelectric currents with the magnetic field.

Excitonic spectra and energy band structure of ZnAl2Se4 crystals

NASA Astrophysics Data System (ADS)

Syrbu, N. N.; Zalamai, V. V.; Tiron, A. V.; Tiginyanu, I. M.

2015-11-01

Absorption, reflection and wavelength modulated reflection spectra were investigated in ZnAl2Se4 crystals. The energy positions of ground and excited states for three excitonic series (А, В and С) were determined. The main parameters of excitons and more precise values of energy intervals V1(Γ7)-C1(Γ6), V2(Γ6)-C1(Γ6), and V3(Γ7)-C1(Γ6) were estimated. Values of splitting due to crystal field and spin-orbital interaction were calculated. Effective masses of electrons (mC1∗) and holes (mV1∗, mV2∗, mV3∗) were estimated. Reflection spectra contours in excitonic region were calculated using dispersion equations. Optical functions for E > Eg from measured reflection spectra were assigned on the base of Kramers-Kronig relations.

Characterization of the electro-optic effect in styrylpyridinium cyanine dye thin-film crystals by an ac modulation method

NASA Astrophysics Data System (ADS)

Yoshimura, Tetsuzo

1987-09-01

The electro-optic effect in styrylpyridinium cyanine dye (SPCD) thin-film crystals is characterized by a newly developed ac modulation method that is effective in characterizing thin-film materials of small area. SPCD thin-film crystals 3-10 μm thick were grown from a methanol solution of SPCD. The crystal shows strong dichroism and anisotropy of refractive index, indicating that molecular dipole moments align along a definite direction (z axis). When an electric field is applied along the z axis, SPCD thin-film crystals show a large figure of merit of electro-optic phase retardation of 6.5×10-10 m/V, which is 5 times as large as in LiNbO3 crystal, 2 times that in 2-methyl-4-nitroaniline (MNA) crystal, and is the largest ever reported in organic solids. The electro-optic coefficient r33 of SPCD crystals is estimated to be approximately 4.3×10-10 m/V, which is 6 times larger than that of an MNA crystal. This value is consistent with that expected from second-harmonic generation measurements.

Lidar inelastic multiple-scattering parameters of cirrus particle ensembles determined with geometrical-optics crystal phase functions.

PubMed

Reichardt, J; Hess, M; Macke, A

2000-04-20

Multiple-scattering correction factors for cirrus particle extinction coefficients measured with Raman and high spectral resolution lidars are calculated with a radiative-transfer model. Cirrus particle-ensemble phase functions are computed from single-crystal phase functions derived in a geometrical-optics approximation. Seven crystal types are considered. In cirrus clouds with height-independent particle extinction coefficients the general pattern of the multiple-scattering parameters has a steep onset at cloud base with values of 0.5-0.7 followed by a gradual and monotonic decrease to 0.1-0.2 at cloud top. The larger the scattering particles are, the more gradual is the rate of decrease. Multiple-scattering parameters of complex crystals and of imperfect hexagonal columns and plates can be well approximated by those of projected-area equivalent ice spheres, whereas perfect hexagonal crystals show values as much as 70% higher than those of spheres. The dependencies of the multiple-scattering parameters on cirrus particle spectrum, base height, and geometric depth and on the lidar parameters laser wavelength and receiver field of view, are discussed, and a set of multiple-scattering parameter profiles for the correction of extinction measurements in homogeneous cirrus is provided.

Research on the Crystal Growth and Dielectric Properties of High Permittivity Ferroelectric Materials.

DTIC Science & Technology

1984-05-01

decrease in millimeter wave dielectric losses at low temperatures now makes it imperitive to examine the value of dn/dE from liquid nitrogen up to and...and dielectric losses, with both / decreasing at low temperatures down to 77K for the electric field parallel to the polar axis. The observed changes in...xSrxK -vNa Nb501 5 Crystals at RF and Millimeter Wave Frqutncies ................................. 30 APPENDIX 2 Low and High Frequency Dielectric

Superconducting, magnetic and magnetotransport properties of FeTe1-xSex single crystals

NASA Astrophysics Data System (ADS)

Kumar, Rohit; Sudesh, Varma, G. D.

2018-05-01

The single crystalline samples with compositions FeTe1-xSex (0.25 ≤ x ≤ 0.50) have been prepared via self-flux method and the superconducting, magnetic and magnetotransport properties of the grown crystals were investigated. The superconducting onset temperatures have been determined from the measurements of zero field cooled magnetization and resistance with temperatures. In the present case, highest superconducting transition temperature TC (onset) ˜ 15 K has been obtained for x=0.5. The HC2 (T=0 K) values have been estimated by fitting the experimental HC2 - T plots with WHH model. The highest HC2(0) has been obtained for x=0.5. The activation energy of the thermally activated flux flow has been found from the broadening of superconducting transition in an applied magnetic field using the Arrhenius law. Our results show that the activation energy (U0) decreases with the increasing magnetic field. Furthermore, the magnetization measurements for x=0.4 and 0.5 samples have been performed at T=5 K in the magnetic field range ±7 T to estimate critical current density at different applied magnetic fields using Bean formula. We see that the sample x=0.5 has higher values of JC as compared to that of x=0.4 at all magnetic fields. This is in conformity with the behavior of U0-H plots.

Primary Phase Field of the Pb-Doped 2223 High-Tc Superconductor in the (Bi, Pb)-Sr-Ca-Cu-O System

PubMed Central

Wong-Ng, W.; Cook, L. P.; Kearsley, A.; Greenwood, W.

1999-01-01

Both liquidus and subsolidus phase equilibrium data are of central importance for applications of high temperature superconductors in the (Bi, Pb)-Sr-Ca-Cu-O system, including material synthesis, melt processing and single crystal growth. The subsolidus equilibria of the 110 K high-Tc Pb-doped 2223 ([Bi, Pb], Sr, Ca, Cu) phase and the location of the primary phase field (crystallization field) have been determined in this study. For the quantitative determination of liquidus data, a wicking technique was developed to capture the melt for quantitative microchemical analysis. A total of 29 five-phase volumes that include the 2223 phase as a component was obtained. The initial melt compositions of these volumes range from a mole fraction of 7.3 % to 28.0 % for Bi, 11.3 % to 27.8 % for Sr, 1.2 % to 19.4 % for Pb, 9.8 % to 30.8 % for Ca, and 17.1 % to 47.0 % for Cu. Based on these data, the crystallization field for the 2223 phase was constructed using the convex hull technique. A section of this “volume” was obtained by holding two components of the composition at the median value, allowing projection on the other three axes to show the extent of the field.

Impact and Penetration Problems.

DTIC Science & Technology

1981-03-16

constant is now determined theoretically. iii) By utilizing the formal similarity between the two criteria (1) and (3), we can predict the theoretical...cohesive strengths of various crystals. Once the experimental value for y is given, the calculations can be carried 4 out easily to determine the...analytical solution to the mixed boundary value problem yields the nonlocal displacement and stress fields. The nonlocal parameter c is determined by

Crystal field effects in the intermetallic R Ni3Ga9 (R =Tb , Dy, Ho, and Er) compounds

NASA Astrophysics Data System (ADS)

Silva, L. S.; Mercena, S. G.; Garcia, D. J.; Bittar, E. M.; Jesus, C. B. R.; Pagliuso, P. G.; Lora-Serrano, R.; Meneses, C. T.; Duque, J. G. S.

2017-04-01

In this paper, we report temperature-dependent magnetic susceptibility, electrical resistivity, and heat-capacity experiments in the family of intermetallic compounds R Ni3Ga9 (R = Tb, Dy, Ho, and Er). Single-crystalline samples were grown using Ga self-flux method. These materials crystallize in a trigonal ErNi3Al9 -type structure with space group R 32 . They all order antiferromagnetically with TN<20 K . The anisotropic magnetic susceptibility presents large values of the ratio χeasy/χhard indicating strong crystalline electric-field (CEF) effects. The evolution of the crystal-field scheme for each R was analyzed in detail by using a spin model including anisotropic nearest-neighbor Ruderman-Kittel-Kasuya-Yosida interaction and the trigonal CEF Hamiltonian. Our analysis allows one to understand the distinct direction of the ordered moments along the series—the Tb-, Dy-, and Ho-based compounds have the ordered magnetic moments in the easy ab plane and the Er sample magnetization easy axis is along the c ̂ direction.

Crystal growth and analysis of ohmic contact and magneto-optical isolator properties of cadmium manganese telluride

NASA Astrophysics Data System (ADS)

Prakasam, Mythili; Viraphong, Oudomsack; Teulé-Gay, Lionel; Decourt, Rodolphe; Veber, Philippe; Víllora, Encarnación G.; Shimamura, Kiyoshi

2011-03-01

Cd1-xMnxTe (x=0.1, 0.3, 0.5, 0.7 and 0.9) (CMT) single crystals were grown by the vertical Bridgman method. The optical studies reveal that with the increase in Mn concentration, the band gap values increase, which is attributed to s, p-d exchange interaction between the band carriers and Mn ions. Faraday rotation angle of the grown CMT (x=0.5) crystals were measured at the following wavelengths: 825, 1060 and 1575 nm. It was inferred that CMT exhibit larger Faraday effect (3-6 times larger than terbium-gallium garnet (TGG) currently used for optical isolators) making it as an efficient material for optical isolator at longer wavelengths. Field-cooled and zero field-cooled magnetizations of CMT were measured as a function of temperature and magnetic field. The spin-glass like behavior of CMT and their tendency to decrease in magnitude with increasing Mn concentration have been analyzed. The metal contacts on the Cd1-xMnxTe (x=0.1, 0.5, 0.7 and 0.9) crystals have been made with various metals and metal alloys to establish the ohmic contact. The detector characteristics of CMT have been tested using γ-rays with 511 keV (22 Na) and 59.5 keV (241 Am).

Effect of structural defects on the magnetic properties of the EuBaCo1.90O5.36 single crystal

NASA Astrophysics Data System (ADS)

Arbuzova, T. I.; Naumov, S. V.; Telegin, S. V.

2018-01-01

The effect of structural defects in cobalt and oxygen sublattices with the constant average oxidation level 3+ of all cobalt ions on the magnetic properties of the EuBaCo1.90O5.36 single crystal has been studied. The magnetic properties of the single crystal and the polycrystalline sample of the corresponding composition are compared in the range T = 200-650 K. The results show that the cobalt-deficient EuBaCo2- x O5.5-δ samples demonstrate a three-dimensional XY ferromagnetic ordering of magnetic sublattices. The values of the effective magnetic moment at T > 480 K indicate the existence of the IS and HS states of Co3+ ions. The large difference of values of μeff of the EuBaCo1.90O5.36 single crystal and polycrystal can be due to that the magnetic ion spins lie in plane ab. The magnetic field directed along plane ab substantially influences the magnetic ordering at T < 300 K.

Fundamental piezo-Hall coefficients of single crystal p-type 3C-SiC for arbitrary crystallographic orientation

NASA Astrophysics Data System (ADS)

Qamar, Afzaal; Dao, Dzung Viet; Phan, Hoang-Phuong; Dinh, Toan; Dimitrijev, Sima

2016-08-01

Piezo-Hall effect in a single crystal p-type 3C-SiC, grown by LPCVD process, has been characterized for various crystallographic orientations. The quantified values of the piezo-Hall effect in heavily doped p-type 3C-SiC(100) and 3C-SiC(111) for different crystallographic orientations were used to obtain the fundamental piezo-Hall coefficients, P 12 = ( 5.3 ± 0.4 ) × 10 - 11 Pa - 1 , P 11 = ( - 2.6 ± 0.6 ) × 10 - 11 Pa - 1 , and P 44 = ( 11.42 ± 0.6 ) × 10 - 11 Pa - 1 . Unlike the piezoresistive effect, the piezo-Hall effect for (100) and (111) planes is found to be independent of the angle of rotation of the device within the crystal plane. The values of fundamental piezo-Hall coefficients obtained in this study can be used to predict the piezo-Hall coefficients in any crystal orientation which is very important for designing of 3C-SiC Hall sensors to minimize the piezo-Hall effect for stable magnetic field sensitivity.

Transition of vertically aligned liquid crystal driven by fan-shaped electric field

NASA Astrophysics Data System (ADS)

Tsung, J. W.; Ting, T. L.; Chen, C. Y.; Liang, W. L.; Lai, C. W.; Lin, T. H.; Hsu, W. H.

2017-09-01

Interdigital electrodes are implemented in many commercial and novel liquid crystal devices to align molecules. Although many empirical principles and patents apply to electrode design, only a few numerical simulations of alignment have been conducted. Why and how the molecules align in an ordered manner has never been adequately explained. Hence, this investigation addresses the Fréedericksz transition of vertically aligned liquid crystal that is driven by fishbone electrodes, and thereafter identifies the mechanism of liquid crystal alignment. Theoretical calculations suggest that the periodic deformation that is caused by the fan-shaped fringe field minimizes the free energy in the liquid crystal cell, and the optimal alignment can be obtained when the cell parameters satisfy the relation p /2 d =√{k11/k33 } , where p is the spatial period of the strips of the electrode; d denotes the cell gap; and k11 and k33 are the splay and bend elastic constants of the liquid crystal, respectively. Polymer-stabilized vertical alignment test cells with various p values and spacings between the electrodes were fabricated, and the process of liquid crystal alignment was observed under an optical microscope. The degree of alignment was evaluated by measuring the transmittance of the test cell. The experimental results were consistent with the theoretical predictions. The principle of design, p /2 d =√{k11/k33 } , greatly improves the uniformity and stability of the aligned liquid crystal. The methods that are presented here can be further applied to cholesteric liquid crystal and other self-assembled soft materials.

Elastic anisotropy effects on the electrical responses of a thin sample of nematic liquid crystal.

PubMed

Gomes, O A; Yednak, C A R; Ribeiro de Almeida, R R; Teixeira-Souza, R T; Evangelista, L R

2017-03-01

The electrical responses of a nematic liquid crystal cell are investigated by means of the elastic continuum theory. The nematic medium is considered as a parallel circuit of a resistance and a capacitance and the electric current profile across the sample is determined as a function of the elastic constants. In the reorientation process of the nematic director, the resistance and capacitance of the sample are determined by taking into account the elastic anisotropy. A nonmonotonic profile for the current is observed in which a minimum value of the current may be used to estimate the elastic constants values. This scenario suggests a theoretical method to determine the values of the bulk elastic constants in a single planar aligned cell just by changing the direction of applied electrical field and measuring the resulting electrical current.

Influence of the morphology of the copper(II) phthalocyanine thin film on the performance of organic field-effect transistors

NASA Astrophysics Data System (ADS)

Xu, Jing; Liu, Xueqiang; Wang, Hailong; Hou, Wenlong; Zhao, Lele; Zhang, Haiquan

2017-01-01

Organic thin-film transistors (OTFTs) with high crystallization copper phthalocyanine (CuPc) active layers were fabricated. The performance of CuPc OTFTs was studied without and with treatment by Solvent Vapor Annealing on CuPc film. The values of the threshold voltage without and with solvent-vapor annealing are -17 V and -10.5 V respectively. The field-effect mobility values in saturation region of CuPc thin-film transistors without and with Solvent Vapor Annealing are 0.00027 cm2/V s and 0.0025 cm2/V s respectively. Meanwhile, the high crystallization of the CuPc film with a larger grain size and less grain boundaries can be observed by investigating the morphology of the CuPc active layer through scanning electron microscopy and X-ray diffraction. The experimental results showed the decreased of the resistance of the conducting channel, that led to a performance improvement of the OTFTs.

Discovery of novel solid solution Ca3Si3-x O3+x N4-2x : Eu2+ phosphors: structural evolution and photoluminescence tuning.

PubMed

Wang, Baochen; Liu, Yan-Gai; Huang, Zhaohui; Fang, Minghao; Wu, Xiaowen

2017-12-22

Discovery of novel phosphors is one of the main issues for improving the color rendering index (CRI) and correlated color temperature (CCT) of white light-emitting diodes (w-LEDs). This study mainly presents a systematic research on the synthesis, crystal structure variation and photoluminescence tuning of novel (oxy)nitride solid solution Ca 3 Si 3-x O 3+x N 4-2x : Eu 2+ phosphors. XRD refinements show that lattice distortion occurs when x value diverges the optimum one (x = 1). The lattice distortion causes a widening of emission spectrum and an increase of Stokes shift (ΔSS), which leads to a bigger thermal quenching. With decrease of x value, the emission spectrum shows an obvious red-shift from 505.2 to 540.8 nm, which is attributed to the crystal field splitting. The enhanced crystal field splitting also broadens the excitation spectrum, making it possible to serve as the phosphor for near ultraviolet (n-UV) LEDs. A 3-phosphor-conversion w-LED lamp was fabricated with the as-prepared phosphor, which exhibits high CRI (Ra = 85.29) and suitable CCT (4903.35 K). All these results indicate that the Ca 3 Si 3-x O 3+x N 4-2x : Eu 2+ phosphor can serve as the green phosphor for n-UV w-LEDs, with a tunable spectrum by controlling the crystal structure and morphology.

Nanosecond liquid crystalline optical modulator

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

Borshch, Volodymyr; Shiyanovskii, Sergij V.; Lavrentovich, Oleg D.

2016-07-26

An optical modulator includes a liquid crystal cell containing liquid crystal material having liquid crystal molecules oriented along a quiescent director direction in the unbiased state, and a voltage source configured to apply an electric field to the liquid crystal material wherein the direction of the applied electric field does not cause the quiescent director direction to change. An optical source is arranged to transmit light through or reflect light off the liquid crystal cell with the light passing through the liquid crystal material at an angle effective to undergo phase retardation in response to the voltage source applying themore » electric field. The liquid crystal material may have negative dielectric anisotropy, and the voltage source configured to apply an electric field to the liquid crystal material whose electric field vector is transverse to the quiescent director direction. Alternatively, the liquid crystal material may have positive dielectric anisotropy and the voltage source configured to apply an electric field to the liquid crystal material whose electric field vector is parallel with the quiescent director direction.« less

Study of the extra-ionic electron distributions in semi-metallic structures by nuclear quadrupole resonance techniques

NASA Technical Reports Server (NTRS)

Murty, A. N.

1976-01-01

A straightforward self-consistent method was developed to estimate solid state electrostatic potentials, fields and field gradients in ionic solids. The method is a direct practical application of basic electrostatics to solid state and also helps in the understanding of the principles of crystal structure. The necessary mathematical equations, derived from first principles, were presented and the systematic computational procedure developed to arrive at the solid state electrostatic field gradients values was given.

Determining ice water content from 2D crystal images in convective cloud systems

NASA Astrophysics Data System (ADS)

Leroy, Delphine; Coutris, Pierre; Fontaine, Emmanuel; Schwarzenboeck, Alfons; Strapp, J. Walter

2016-04-01

Cloud microphysical in-situ instrumentation measures bulk parameters like total water content (TWC) and/or derives particle size distributions (PSD) (utilizing optical spectrometers and optical array probes (OAP)). The goal of this work is to introduce a comprehensive methodology to compute TWC from OAP measurements, based on the dataset collected during recent HAIC (High Altitude Ice Crystals)/HIWC (High Ice Water Content) field campaigns. Indeed, the HAIC/HIWC field campaigns in Darwin (2014) and Cayenne (2015) provide a unique opportunity to explore the complex relationship between cloud particle mass and size in ice crystal environments. Numerous mesoscale convective systems (MCSs) were sampled with the French Falcon 20 research aircraft at different temperature levels from -10°C up to 50°C. The aircraft instrumentation included an IKP-2 (isokinetic probe) to get reliable measurements of TWC and the optical array probes 2D-S and PIP recording images over the entire ice crystal size range. Based on the known principle relating crystal mass and size with a power law (m=α•Dβ), Fontaine et al. (2014) performed extended 3D crystal simulations and thereby demonstrated that it is possible to estimate the value of the exponent β from OAP data, by analyzing the surface-size relationship for the 2D images as a function of time. Leroy et al. (2015) proposed an extended version of this method that produces estimates of β from the analysis of both the surface-size and perimeter-size relationships. Knowing the value of β, α then is deduced from the simultaneous IKP-2 TWC measurements for the entire HAIC/HIWC dataset. The statistical analysis of α and β values for the HAIC/HIWC dataset firstly shows that α is closely linked to β and that this link changes with temperature. From these trends, a generalized parameterization for α is proposed. Finally, the comparison with the initial IKP-2 measurements demonstrates that the method is able to predict TWC values larger than 0.3g/m3 with an error close to 20%. Fontaine, E., A. Schwarzenboeck, J. Delanoë, W. Wobrock, D. Leroy, R. Dupuy, C. Gourbeyre, and A. Protat, 2014: Constraining mass-diameter relations from hydrometeor images and cloud radar reflectivities in tropical continental and oceanic convective anvils. Atmos Chem Phys, 14, 11367-11392, doi:10.5194/acp-14-11367-2014. Leroy, D., E. Fontaine, A. Schwarzenboeck and J.W. Strapp : Ice Crystal Sizes in High Ice Water Content Clouds. Part 1: Mass-size Relationships Derived from Particle Images and TWC for Various Crystal Diameter Definitions and Impact on Median Mass Diameter. Submitted to Journal of Atmospheric and Oceanic Technology, 2015.

Morphological and electro optic studies of polymer dispersed liquid crystal in reverse mode

NASA Astrophysics Data System (ADS)

Sharma, Vandna; Kumar, Pankaj; Chinky, Malik, Praveen; Raina, K. K.

2018-05-01

Present work deals with reverse mode polymer dispersed liquid crystals (PDLCs) sensitive to electric field. Contrary to the conventional PDLCs operate from opaque (OFF state) to transparent state (ON state) with the application of field, reverse mode PDLCs work in transparent to opaque state. Reverse mode PDLC composed of nematic LC and UV curable optical adhesive polymer were prepared by the polymerization induced phase separation. The polarizing optical microscope study shows the vertical alignment of LCs within droplets with initial dark state under cross polarizers and confirms preliminary natural transparent state. The electro optic (EO) results show that the reverse mode PDLC lowered the threshold and operating voltages significantly compared with reported values. The contrast ratio of the film was also studied.

The field theory of specific heat

NASA Astrophysics Data System (ADS)

Gusev, Yu. V.

2016-01-01

Finite temperature quantum field theory in the heat kernel method is used to study the heat capacity of condensed matter. The lattice heat is treated à la P. Debye as energy of the elastic (sound) waves. The dimensionless functional of free energy is re-derived with a cut-off parameter and used to obtain the specific heat of crystal lattices. The new dimensionless thermodynamical variable is formed as Planck's inverse temperature divided by the lattice constant. The dimensionless constant, universal for the class of crystal lattices, which determines the low temperature region of molar specific heat, is introduced and tested with the data for diamond lattice crystals. The low temperature asymptotics of specific heat is found to be the fourth power in temperature instead of the cubic power law of the Debye theory. Experimental data for the carbon group elements (silicon, germanium) and other materials decisively confirm the quartic law. The true low temperature regime of specific heat is defined by the surface heat, therefore, it depends on the geometrical characteristics of the body, while the absolute zero temperature limit is geometrically forbidden. The limit on the growth of specific heat at temperatures close to critical points, known as the Dulong-Petit law, appears from the lattice constant cut-off. Its value depends on the lattice type and it is the same for materials with the same crystal lattice. The Dulong-Petit values of compounds are equal to those of elements with the same crystal lattice type, if one mole of solid state matter were taken as the Avogadro number of the composing atoms. Thus, the Neumann-Kopp law is valid only in some special cases.

ESR and nonresonant microwave absorption of ErBa2Cu3O(7-delta) and HoBa2Cu3O(7-delta) single crystals

NASA Astrophysics Data System (ADS)

Tagaya, Kimihito; Fukuoka, Nobuo; Nakanishi, Shigemitsu

1990-12-01

ESR measurements were performed for ErBa2Cu3O(7-delta) and HoBa2Cu3O(7-delta) single crystals from 77 K to room temperature. The ESR signals of Er2BaCuO5 and Ho2BaCuO5 were observed, and their temperature variations were investigated. Nonresonant microwave absorption was also observed below the superconducting critical temperature of 93 K. The principal values of lower critical field were determined.

Rewriting magnetic phase change memory by laser heating

NASA Astrophysics Data System (ADS)

Timmerwilke, John; Liou, Sy-Hwang; Cheng, Shu Fan; Edelstein, Alan S.

2016-04-01

Magnetic phase change memory (MAG PCM) consists of bits with different magnetic permeability values. The bits are read by measuring their effect on a magnetic probe field. Previously low permeability crystalline bits had been written in high permeability amorphous films of Metglas via laser heating. Here data is presented showing that by applying short laser pulses with the appropriate power to previously crystallized regions they can first be vitrified and then again crystallized. Thus, MAG PCM is rewriteable. Technical issues in processing the bits are discussed and results on thermal modeling are presented.

Orientation distribution of sheared isotactic polypropylene plates through thickness in the presence of sodium benzoate

NASA Astrophysics Data System (ADS)

Zhu, Peng-wei; Phillips, Andrew; Tung, Jason; Edward, Graham

2005-05-01

The orientation distribution of sheared isotactic polypropylene (iPP) containing different amount of sodium benzoate (SB) has been investigated through the gradient of shear flow field using microbeam of synchrotron wide-angle x-ray techniques. The degree of the overall orientation of α-phase crystal is found to increase with increasing concentration of SB. Compared with the sheared iPP in the absence of SB, the orientation of α-phase crystal is found to distribute over a broader range of shear flow field in the presence of SB. The overall orientation of α-phase crystal is explained in terms of a parent-daughter model or lamella-branched shish-kebab structure. As the concentration of SB increases, the contribution from the c-axis orientation of parent lamellae decreases in the flow direction. The contribution from the a*-axis orientation of daughter lamellae is developed to be dominant in the flow direction when the concentration of SB exceeds a critical value.

Tunable, multiwavelength-swept fiber laser based on nematic liquid crystal device for fiber-optic electric-field sensor

NASA Astrophysics Data System (ADS)

Lee, Hyun Ji; Kim, Sung-Jo; Ko, Myeong Ock; Kim, Jong-Hyun; Jeon, Min Yong

2018-03-01

We propose a tunable multiwavelength-swept laser based on a nematic liquid crystal (NLC) Fabry-Perot (FP) etalon, which is embedded in the resonator of a wavelength-swept laser. We achieve the continuous wavelength tuning of the multiwavelength-swept laser by applying the electric field to the NLC FP etalon. The free spectral range of the fabricated NLC FP etalon is approximately 7.9 nm. When the electric field applied to the NLC FP etalon exceeds the threshold value (Fréedericksz threshold voltage), the output of the multiwavelength-swept laser can be tuned continuously. The tuning range of the multiwavelength-swept laser can be achieved at a value greater than 75 nm, which has a considerably wider tunable range than a conventional multiwavelength laser based on an NLC FP etalon. The slope efficiencies in the spectral and temporal domains for the tunable multiwavelength-swept laser are 22.2 nm/(mVrms / μm) and 0.17 ms/(mVrms / μm), respectively in the linear region. Therefore, the developed multiwavelength-swept laser based on the NLC FP etalon can be applied to an electric-field sensor. Because the wavelength measurement and time measurement have a linear relationship, the electric-field sensor can detect a rapid change in the electric-field intensity by measuring the peak change of the pulse in the temporal domain using the NLC FP etalon-based multiwavelength-swept laser.

Local structures of the tetragonal Gd3 -VM and Gd3 -Li centers in perovskite fluorides

NASA Astrophysics Data System (ADS)

Zheng, W. C.

The zero-field splittings b20 of the tetragonal Gd3+-VM and Gd3+-Li+ centers for Gd3+ ions in fluoroperovskite crystals have been studied on the basis of the superposition model in which the value of t2

Characterization of single grain by observing magnetic ejection and rotation in microgravity

NASA Astrophysics Data System (ADS)

Uyeda, Chiaki

A simple and nondestructive method to perform material identification on a single particle is desired in various fields of material science that is concerned with nano-sized particles. We propose a method of identification based on magnetization data, which is obtained from field-induced translation and rotation in microgravity [1]. Material identification is possible from magnetization data because an intrinsic value of susceptibility and anisotropy is assigned to every material according to a data book that compiles the published values [2]. Preliminary ob-servation on free translational motion due to repulsive field-gradient force was reported for mm-sized crystal of corundum [1] and other oxides. Rotational oscillation was observed for various diamagnetic single-crystals in homogeneous field [2]. In order to examine the capability of the above-mentioned material characterization, translation and rotation motion was observed for sub-millimeter-sized quartz, calcite and forsterite in microgravity condition (MGLAB, Japan, duration: 4.5s). It is expected from motional equations that the 2 motions are independent to mass of particles, In a given field distribution, acceleration of translation is expected to be uniquely determined from intrinsic susceptibility of sample. The above properties are exam-ined in the present work by varying experimental parameters. It is noted that observation of the above two motions in microgravity serve as a useful method to detect magnetization of single small particles, be cause the system is free of both sample holder and mass measure-ment. It is expected that magnetization can be measured on a isolated small sample down to nano-level, in condition that motion of the sample is observable. For both susceptibility and anisotropy, range of observed values using microgravity cover the range of compiled published values [2]. Hence material identification is possible for solid material in general. Diamagnetic magnetization and its anisotropy derive from three-dimensional distribution of localized elec-trons. In case of organic materials, origin of magnetization was consistently explained in terms of molecular-orbital method. The investigation was not performed on oxide crystals partly because the experimental values were not reported for most of the material[4]. Improvement of sensitivity using microgravity condition was necessary in order to understand the overall relationship between electron distribution and anisotropy of susceptibility. [1] K. Hisayoshi et al: J.Phys.: Conf. Ser., (2009) 156 012021. [2] R. Guputa: "Landort Bornstein" New Series II (1983) 445. [3]C.Uyeda et al.(206)Jpn.J.appl.Phys.43 L124 [4]C.Uyeda et al.: Appl. Phys. Lett. (1983) 094103.

Bean--Livingston barriers and first field for flux penetration in high- T sub c crystals

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

Burlachkov, L.; Konczykowski, M.; Yeshurun, Y.

We present evidence for the importance of Bean--Livingston (BL) barriers for field penetration into high-{ital T}{sub {ital c}} crystals. The magnetization curves {ital M}({ital H}) and the first field {ital H}{sub {ital p}} for flux penetration were measured near the transition temperature {ital T}{sub {ital c}} of untwinned Y-Ba-Cu-O crystal by using a miniature Hall probe. There are three observations that serve as evidence for the efficiency of BL barriers: (1) the magnetization was found to be almost zero on the descending branch of the magnetization loop; (2) The slope of {ital H}{sub {ital p}}({ital T}) exhibits a clear changemore » close to {ital T}{sub {ital c}}, being largest at {ital T}{sub {ital c}}; (3) after introducing damage by irradiating the sample, both the field {ital H}{sub {ital p}} and the width of the {ital M}({ital H}) loops reduce significantly, showing almost reversible behavior for the sample. We explain these observations in terms of BL barriers which are shown to be especially important in high-{ital T}{sub {ital c}} superconductors, and these could be responsible for the controversy of the {ital H}{sub {ital c}1} values reported previously in the literature.« less

Evidence of a 2D Fermi surface due to surface states in a p-type metallic Bi2Te3

NASA Astrophysics Data System (ADS)

Shrestha, K.; Marinova, V.; Lorenz, B.; Chu, C. W.

2018-05-01

We present a systematic quantum oscillations study on a metallic, p-type Bi2Te3 topological single crystal in magnetic fields up to B  =  7 T. The maxima/minima positions of oscillations measured at different tilt angles align to one another when plotted as a function of the normal component of magnetic field, confirming the presence of the 2D Fermi surface. Additionally, the Berry phase, β  =  0.4  ±  0.05 obtained from the Landau level fan plot, is very close to the theoretical value of 0.5 for the Dirac particles, confirming the presence of topological surface states in the Bi2Te3 single crystal. Using the Lifshitz–Kosevich analyses, the Fermi energy is estimated to be meV, which is lower than that of other bismuth-based topological systems. The detection of surface states in the Bi2Te3 crystal can be explained by our previous hypothesis of the lower position of the Fermi surface that cuts the ‘M’-shaped valence band maxima. As a result, the bulk state frequency is shifted to higher magnetic fields, which allows measurement of the surface states signal at low magnetic fields.

Cavity-enhanced optical trapping of bacteria using a silicon photonic crystal.

PubMed

van Leest, Thijs; Caro, Jacob

2013-11-21

On-chip optical trapping and manipulation of cells based on the evanescent field of photonic structures is emerging as a promising technique, both in research and for applications in broader context. Relying on mass fabrication techniques, the involved integration of photonics and microfluidics allows control of both the flow of light and water on the scale of interest in single cell microbiology. In this paper, we demonstrate for the first time optical trapping of single bacteria (B. subtilis and E. coli) using photonic crystal cavities for local enhancement of the evanescent field, as opposed to the synthetic particles used so far. Three types of cavities (H0, H1 and L3) are studied, embedded in a planar photonic crystal and optimized for coupling to two collinear photonic crystal waveguides. The photonic crystals are fabricated on a silicon-on-insulator chip, onto which a fluidic channel is created as well. For each of the cavities, when pumped at the resonance wavelength (around 1550 nm), we clearly demonstrate optical trapping of bacteria, in spite of their low index contrast w.r.t. water. By tracking the confined Brownian motion of B. subtilis spores in the traps using recorded microscope observations, we derive strong in-plane trap stiffnesses of about 7.6 pN nm(-1) W(-1). The values found agree very well with calculations based on the Maxwell stress tensor for the force and finite-difference time-domain simulations of the fields for the fabricated cavity geometries. We envision that our lab-on-a-chip with photonic crystal traps opens up new application directions, e.g. immobilization of single bio-objects such as mammalian cells and bacteria under controlled conditions for optical microscopy studies.

Studying the properties of a predicted tetragonal silicon by first principles

NASA Astrophysics Data System (ADS)

Xue, Han-Yu; Zhang, Can; Pang, Dong-Dong; Huang, Xue-Qian; Lv, Zhen-Long; Duan, Man-Yi

2018-03-01

Silicon is a very important material in many technological fields. It also has a complicated phase diagram of scientific interest. Here we reported a new allotrope of silicon obtained from crystal structure prediction. We studied its electronic, vibrational, dielectric, elastic and hardness properties by first-principles calculations. The results indicate that it is an indirect narrow-band-gap semiconductor. It is dynamically stable with a doubly degenerate infrared-active mode at its Brillouin zone center. Born effective charges of the constituent element are very small, resulting in a negligible ionic dielectric contribution. Calculated elasticity-related quantities imply that it is mechanically stable but anisotropic. There exist slowly increasing stages in the stress-strain curves of this crystal, which make it difficult to estimate the hardness of the crystal by calculating its ideal strengths. Taking advantage of the hardness model proposed by Šimůnek, we obtained a value of 12.0 GPa as its hardness. This value is lower than that of the cubic diamond-structural Si by about 5.5%.

An Experimental Study of the Ising Chain Statistics under the Magnetic Field

NASA Astrophysics Data System (ADS)

Takeda, Kazuyoshi; Wada, Masaru

1981-11-01

The first experimental study of the statistics of a quasi-one-dimensional Ising system under the magnetic field Hα, described by the Hamiltonian \\includegraphics{dummy.eps} has been performed, where J1 and J2 are the intra- and the inter-chain exchange constants, respectively. A single crystal of the compound (CH3)3NHCoCl3\\cdot2H2O has been used as a model sample of the ferromagnetic system with J1/kB{=}14.2 K and J2/kB{=}0.20 K. It has been revealed that the experimental values of the magnetic heat capacity under the field Hα>2J2/gzμB (≈0.8 kOe) applied along the spin preferential axis are excellently reproduced by the values calculated for the isolated Ising chain under the longitudinal field (α{=}z; gz{=}6.54). For the temperature higher than 7 K (≈J1/2kB), the experimental values of the magnetic heat capacity under the field along the spin hard axis have also agreed with the theoretical values for the isolated Ising chain under the transverse field (α{=}y; gy{=}3.90).

Coherent infrared emission from myoglobin crystals: An electric field measurement

PubMed Central

Groot, Marie-Louise; Vos, Marten H.; Schlichting, Ilme; van Mourik, Frank; Joffre, Manuel; Lambry, Jean-Christophe; Martin, Jean-Louis

2002-01-01

We introduce coherent infrared emission interferometry as a χ(2) vibrational spectroscopy technique and apply it to studying the initial dynamics upon photoactivation of myoglobin (Mb). By impulsive excitation (using 11-fs pulses) of a Mb crystal, vibrations that couple to the optical excitation are set in motion coherently. Because of the order in the crystal lattice the coherent oscillations of the different proteins in the crystal that are associated with charge motions give rise to a macroscopic burst of directional multi-teraHertz radiation. This radiation can be detected in a phase-sensitive way by heterodyning with a broad-band reference field. In this way both amplitude and phase of the different vibrations can be obtained. We detected radiation in the 1,000–1,500 cm−1 frequency region, which contains modes sensitive to the structure of the heme macrocycle, as well as peripheral protein modes. Both in carbonmonoxy-Mb and aquomet-Mb we observed emission from six modes, which were assigned to heme vibrations. The phase factors of the modes contributing to the protein electric field show a remarkable consistency, taking on values that indicate that the dipoles are created “emitting” at t = 0, as one would expect for impulsively activated modes. The few deviations from this behavior in Mb-CO we propose are the result of these modes being sensitive to the photodissociation process and severely disrupted by it. PMID:11818575

Temperature and electric-field induced phase transition behavior and electrical properties of [001]-oriented 0.23Pb(In1/2Nb1/2)O3-0.47Pb(Mg1/3Nb2/3)O3-0.3PbTiO3-Mn single crystals

NASA Astrophysics Data System (ADS)

Zhang, Zhang; Chen, Jianwei; Xu, Jialin; Li, Xiaobing; Luo, Haosu

2017-12-01

The temperature and electric-field induced phase transition behavior and dielectric, piezoelectric, and ferroelectric properties of [001]-oriented 0.23Pb(In1/2Nb1/2)O3-0.47Pb(Mg1/3Nb2/3)O3-0.3PbTiO3-Mn (PIMNT-Mn) single crystals were investigated. Dielectric performance analysis and temperature-dependent Raman spectra show three apparent ferroelectric phase transition temperatures around 120 °C(TR-M),145 °C(TM-T), and 170 °C(TT-C), respectively. In addition, the temperature dependence of the relative Raman intensities of Lorentzian peaks indicates the poled PIMNT-Mn single crystals exhibit rhombohedral(R) → monoclinic(M) → tetragonal(T) → cubic(C) phase transition path. The electrical properties of the PIMNT-Mn single crystals such as the longitudinal electrostrictive coefficient (Q), the converse piezoelectric constant (d33), and the maximum strain value (Smax%) have changed abnormally around the phase transition temperatures (TR-M and TM-T).

Investigations of the optical and EPR data and local structure for the trigonal tetrahedral Co2+ centers in LiGa5O8: Co2+ crystal

NASA Astrophysics Data System (ADS)

He, Jian; Liao, Bi-Tao; Mei, Yang; Liu, Hong-Gang; Zheng, Wen-Chen

2018-01-01

In this paper, we calculate uniformly the optical and EPR data for Co2+ ion at the trigonal tetrahedral Ga3+ site in LiGa5O8 crystal from the complete diagonalization (of energy matrix) method founded on the two-spin-orbit-parameter model, where the contributions to the spectroscopic data from both the spin-orbit parameter of dn ion (in the classical crystal field theory) and that of ligand ions are contained. The calculated ten spectroscopic data (seven optical bands and three spin-Hamiltonian parameters g//, g⊥ and D) with only four adjustable parameters are in good agreement with the available observed values. Compared with the host (GaO4)5- cluster, the great angular distortion and hence the great trigonal distortion of (CoO4)6- impurity center obtained from the calculations are referred to the large charge and size mismatch substitution. This explains reasonably the observed great g-anisotropy Δg (= g// - g⊥) and zero-field splitting D for the (CoO4)6- cluster in LiGa5O8: Co2+ crystal.

Diversity of Knot Solitons in Liquid Crystals Manifested by Linking of Preimages in Torons and Hopfions

NASA Astrophysics Data System (ADS)

Ackerman, Paul J.; Smalyukh, Ivan I.

2017-01-01

Topological solitons are knots in continuous physical fields classified by nonzero Hopf index values. Despite arising in theories that span many branches of physics, from elementary particles to condensed matter and cosmology, they remain experimentally elusive and poorly understood. We introduce a method of experimental and numerical analysis of such localized structures in liquid crystals that, similar to the mathematical Hopf maps, relates all points of the medium's order parameter space to their closed-loop preimages within the three-dimensional solitons. We uncover a surprisingly large diversity of naturally occurring and laser-generated topologically nontrivial solitons with differently knotted nematic fields, which previously have not been realized in theories and experiments alike. We discuss the implications of the liquid crystal's nonpolar nature on the knot soliton topology and how the medium's chirality, confinement, and elastic anisotropy help to overcome the constraints of the Hobart-Derrick theorem, yielding static three-dimensional solitons without or with additional defects. Our findings will establish chiral nematics as a model system for experimental exploration of topological solitons and may impinge on understanding of such nonsingular field configurations in other branches of physics, as well as may lead to technological applications.

High-pressure insulator-to-metal transition in Sr3Ir2O7 studied by x-ray absorption spectroscopy

NASA Astrophysics Data System (ADS)

Donnerer, C.; Sala, M. Moretti; Pascarelli, S.; Rosa, A. D.; Andreev, S. N.; Mazurenko, V. V.; Irifune, T.; Hunter, E. C.; Perry, R. S.; McMorrow, D. F.

2018-01-01

High-pressure x-ray absorption spectroscopy was performed at the Ir L3 and L2 absorption edges of Sr3Ir2O7 . The branching ratio of white-line intensities continuously decreases with pressure, reflecting a reduction in the angular part of the expectation value of the spin-orbit coupling operator, 〈L .S 〉 . Up to the high-pressure structural transition at 53 GPa, this behavior can be explained within a single-ion model, where pressure increases the strength of the cubic crystal field, which suppresses the spin-orbit induced hybridization of Jeff=3 /2 and eg levels. We observe a further reduction of the branching ratio above the structural transition, which cannot be explained within a single-ion model of spin-orbit coupling and cubic crystal fields. This change in 〈L .S 〉 in the high-pressure, metallic phase of Sr3Ir2O7 could arise from noncubic crystal fields or a bandwidth-driven hybridization of Jeff=1 /2 ,3 /2 states and suggests that the electronic ground state significantly deviates from the Jeff=1 /2 limit.

The electric field gradient in natural iron-doped chrysoberyl Al2BeO4 and sinhalite MgAlBO4 single crystals

NASA Astrophysics Data System (ADS)

Lottermoser, Werner; Redhammer, Günther J.; Weber, Sven-Ulf; Litterst, Fred Jochen; Tippelt, Gerold; Dlugosz, Stephen; Bank, Hermann; Amthauer, Georg; Grodzicki, Michael

2011-12-01

This work reports on the evaluation of the electric field gradient (EFG) in natural chrysoberyl Al2BeO4 and sinhalite MgAlBO4 using two different procedures: (1) experimental, with single crystal Mössbauer spectroscopy (SCMBS) on the three principal sections of each sample and (2) a "fully quantitative" method with cluster molecular orbital calculations based on the density functional theory. Whereas the experimental and theoretical results for the EFG tensor are in quantitative agreement, the calculated isomer shifts and optical d-d-transitions exhibit systematic deviations from the measured values. These deviations indicate that the substitution of Al and Mg with iron should be accompanied by considerable local expansion of the coordination octahedra.

Determination of the spin orbit coupling and crystal field splitting in wurtzite InP by polarization resolved photoluminescence

NASA Astrophysics Data System (ADS)

Chauvin, Nicolas; Mavel, Amaury; Jaffal, Ali; Patriarche, Gilles; Gendry, Michel

2018-02-01

Excitation photoluminescence spectroscopy is usually used to extract the crystal field splitting (ΔCR) and spin orbit coupling (ΔSO) parameters of wurtzite (Wz) InP nanowires (NWs). However, the equations expressing the valence band splitting are symmetric with respect to these two parameters, and a choice ΔCR > ΔSO or ΔCR < ΔSO has to be taken into account in order to assign the numerical values. To solve this issue, polarization resolved micro-photoluminescence was performed on vertically aligned and untapered Wz InP NWs grown on silicon. The experimental results combined with a theoretical model and finite difference time domain calculations allow us to conclude that ΔCR > ΔSO in Wz InP.

Radiative heat transport during the vertical Bridgman growth of oxide single crystals: slabs versus cylinders

NASA Astrophysics Data System (ADS)

Virozub, Alexander; Brandon, Simon

1998-10-01

Internal radiative heat transport in oxide crystals during their growth via the vertical Bridgman technique is known to promote severely deflected melt/crystal interface shapes. These highly curved interfaces are likely to encourage unwanted phenomena such as inhomogeneous distribution of impurities in the solidified crystalline material. Past computational analyses of oxide growth systems have mostly been confined to cylindrical geometries. In this letter a two-dimensional finite-element model, describing the growth of slab-shaped oxide crystals via the vertical Bridgman technique, is presented; internal radiative heat transport through the transparent crystalline phase is accounted for in the formulation. Comparison with calculations of cylindrical-shaped crystal growth systems shows a strong dependence of thermal fields and of melt/crystal interface shapes on the crystal geometry. Specifically, the interface position is strongly shifted toward the hot zone and its curvature dramatically increases in slab-shaped systems compared to what is observed in cylindrical geometries. This significant qualitative difference in interface shapes is shown to be linked to large quantitative differences in values of the viewing angle between the hot melt/crystal interface and the cold part of the crucible.

Magnetization plateaus and ground-state phase diagrams of the S=1 Ising model on the Shastry Sutherland lattice

NASA Astrophysics Data System (ADS)

Deviren, Seyma Akkaya

2017-02-01

In this research, we have investigated the magnetic properties of the spin-1 Ising model on the Shastry Sutherland lattice with the crystal field interaction by using the effective-field theory with correlations. The effects of the applied field on the magnetization are examined in detail in order to obtain the magnetization plateaus, thus different types of magnetization plateaus, such as 1/4, 1/3, 1/2, 3/5, 2/3 and 7/9 of the saturation, are obtained for strong enough magnetic fields (h). Magnetization plateaus exhibit single, triple, quintuplet and sextuple forms according to the interaction parameters, hence the magnetization plateaus originate from the competition between the crystal field (D) and exchange interaction parameters (J, J‧). The ground-state phase diagrams of the system are presented in three varied planes, namely (h/J, J‧/J), (h/J, D/J) and (D/J, J‧/J) planes. These phase diagrams display the Néel (N), collinear (C) and ferromagnetic (F) phases for certain values of the model parameters. The obtained results are in good agreement with some theoretical and experimental studies.

Crystal structure and physical properties of a novel Kondo antiferromagnet: U3Ru4Al12

NASA Astrophysics Data System (ADS)

Pasturel, M; Tougait, O; Potel, M; Roisnel, T; Wochowski, K; Noël, H; Troć, R

2009-03-01

A novel ternary compound U3Ru4Al12 has been identified in the U-Ru-Al ternary diagram. Single-crystal x-ray diffraction indicates a hexagonal Gd3Ru4Al12-type structure for this uranium-based intermetallic. While this structure type usually induces geometrically a spin-glass behaviour, an antiferromagnetic ordering is observed at TN = 8.4 K in the present case. The reduced effective magnetic moment of U atoms (μeff = 2.6 µB) can be explained by Kondo-like interactions and crystal field effects that have been identified by a logarithmic temperature dependence of the electrical resistivity, negative values of the magnetoresistivity and particular shape of the Seebeck coefficient.

Efficient ultraviolet photorefraction in LiNbO3

NASA Astrophysics Data System (ADS)

Jungen, R.; Angelow, G.; Laeri, F.; Grabmaier, C.

1992-07-01

A nominally undoped LiNbO3 crystal with a slightly broadened absorption edge is used to study beam coupling effects in the UV at 351 nm. At this wavelength the crystal exhibits a diffusion-dominated charge transport mechanism, which allows steady state beam amplification of up to 700 times, comparable to BaTiO3 in the visible. The used crystal material was characterized by an absorption coefficient α=2.68 cm-1 at 351 nm and a maximal gain coefficient Г=13.94 cm-1. This high gain value in the UV can be attributed to a hole diffusion-dominated charge transport mechanism together with a low bulk photovoltaic effect. We measured photovoltaic fields of the order of 550 V/cm.

Dielectric properties of nematic liquid crystal doped with Fe3O4 nanoparticles

NASA Astrophysics Data System (ADS)

Maleki, A.; Ara, M. H. Majles; Saboohi, F.

2017-04-01

The influence of Fe3O4 nanoparticles (NPs) on dielectric properties of planar and homeotropic oriented nematic liquid crystals (NLCs) were studied during the temperature interval of 298-322 °K. It was found that the dielectric permittivity was considerably increased by adding NPs mass percentages. The structural characterization of the synthesized NPs with the scale 14-18 nm has been analyzed by the X-ray diffraction and field-emission scanning electron microscopy results. The obtained dielectric anisotropy (?) and mean dielectric (?) have shown an immense increment in the value of 1% and 10% wt. NPs doped NLCs, respectively. These results were assigned to the strong dipole-dipole interaction between the superparamagnetic particles and the surrounding liquid crystal molecules.

Propagation of optical vortices with fractional topological charge in free space

NASA Astrophysics Data System (ADS)

Ali, Tamelia; Kreminska, Liubov; Golovin, Andrii B.; Crouse, David T.

2014-10-01

The behavior of the optical vortices with fractional topological charges in the far-field is assessed through numerical modeling and confirmed by experimental results. The generation of fractional topological charge variations of the phase within a Gaussian beam was achieved by using a liquid crystal spatial light modulator (LCoS SLM). It is shown that a laser beam carrying an optical vortex with a fractional topological charge evolves into a beam with a topological charge of integer value, specifically an integer value closer to the fractional number in the far field. A potential application of this work is for data transmission within optical telecommunication systems.

Determination of structure and properties of molecular crystals from first principles.

PubMed

Szalewicz, Krzysztof

2014-11-18

CONSPECTUS: Until recently, it had been impossible to predict structures of molecular crystals just from the knowledge of the chemical formula for the constituent molecule(s). A solution of this problem has been achieved using intermolecular force fields computed from first principles. These fields were developed by calculating interaction energies of molecular dimers and trimers using an ab initio method called symmetry-adapted perturbation theory (SAPT) based on density-functional theory (DFT) description of monomers [SAPT(DFT)]. For clusters containing up to a dozen or so atoms, interaction energies computed using SAPT(DFT) are comparable in accuracy to the results of the best wave function-based methods, whereas the former approach can be applied to systems an order of magnitude larger than the latter. In fact, for monomers with a couple dozen atoms, SAPT(DFT) is about equally time-consuming as the supermolecular DFT approach. To develop a force field, SAPT(DFT) calculations are performed for a large number of dimer and possibly also trimer configurations (grid points in intermolecular coordinates), and the interaction energies are then fitted by analytic functions. The resulting force fields can be used to determine crystal structures and properties by applying them in molecular packing, lattice energy minimization, and molecular dynamics calculations. In this way, some of the first successful determinations of crystal structures were achieved from first principles, with crystal densities and lattice parameters agreeing with experimental values to within about 1%. Crystal properties obtained using similar procedures but empirical force fields fitted to crystal data have typical errors of several percent due to low sensitivity of empirical fits to interactions beyond those of the nearest neighbors. The first-principles approach has additional advantages over the empirical approach for notional crystals and cocrystals since empirical force fields can only be extrapolated to such cases. As an alternative to applying SAPT(DFT) in crystal structure calculations, one can use supermolecular DFT interaction energies combined with scaled dispersion energies computed from simple atom-atom functions, that is, use the so-called DFT+D approach. Whereas the standard DFT methods fail for intermolecular interactions, DFT+D performs reasonably well since the dispersion correction is used not only to provide the missing dispersion contribution but also to fix other deficiencies of DFT. The latter cancellation of errors is unphysical and can be avoided by applying the so-called dispersionless density functional, dlDF. In this case, the dispersion energies are added without any scaling. The dlDF+D method is also one of the best performing DFT+D methods. The SAPT(DFT)-based approach has been applied so far only to crystals with rigid monomers. It can be extended to partly flexible monomers, that is, to monomers with only a few internal coordinates allowed to vary. However, the costs will increase relative to rigid monomer cases since the number of grid points increases exponentially with the number of dimensions. One way around this problem is to construct force fields with approximate couplings between inter- and intramonomer degrees of freedom. Another way is to calculate interaction energies (and possibly forces) "on the fly", i.e., in each step of lattice energy minimization procedure. Such an approach would be prohibitively expensive if it replaced analytic force fields at all stages of the crystal predictions procedure, but it can be used to optimize a few dozen candidate structures determined by other methods.

A general representation scheme for crystalline solids based on Voronoi-tessellation real feature values and atomic property data

PubMed Central

Jalem, Randy; Nakayama, Masanobu; Noda, Yusuke; Le, Tam; Takeuchi, Ichiro; Tateyama, Yoshitaka; Yamazaki, Hisatsugu

2018-01-01

Abstract Increasing attention has been paid to materials informatics approaches that promise efficient and fast discovery and optimization of functional inorganic materials. Technical breakthrough is urgently requested to advance this field and efforts have been made in the development of materials descriptors to encode or represent characteristics of crystalline solids, such as chemical composition, crystal structure, electronic structure, etc. We propose a general representation scheme for crystalline solids that lifts restrictions on atom ordering, cell periodicity, and system cell size based on structural descriptors of directly binned Voronoi-tessellation real feature values and atomic/chemical descriptors based on the electronegativity of elements in the crystal. Comparison was made vs. radial distribution function (RDF) feature vector, in terms of predictive accuracy on density functional theory (DFT) material properties: cohesive energy (CE), density (d), electronic band gap (BG), and decomposition energy (Ed). It was confirmed that the proposed feature vector from Voronoi real value binning generally outperforms the RDF-based one for the prediction of aforementioned properties. Together with electronegativity-based features, Voronoi-tessellation features from a given crystal structure that are derived from second-nearest neighbor information contribute significantly towards prediction. PMID:29707064

A general representation scheme for crystalline solids based on Voronoi-tessellation real feature values and atomic property data.

PubMed

Jalem, Randy; Nakayama, Masanobu; Noda, Yusuke; Le, Tam; Takeuchi, Ichiro; Tateyama, Yoshitaka; Yamazaki, Hisatsugu

2018-01-01

Increasing attention has been paid to materials informatics approaches that promise efficient and fast discovery and optimization of functional inorganic materials. Technical breakthrough is urgently requested to advance this field and efforts have been made in the development of materials descriptors to encode or represent characteristics of crystalline solids, such as chemical composition, crystal structure, electronic structure, etc. We propose a general representation scheme for crystalline solids that lifts restrictions on atom ordering, cell periodicity, and system cell size based on structural descriptors of directly binned Voronoi-tessellation real feature values and atomic/chemical descriptors based on the electronegativity of elements in the crystal. Comparison was made vs. radial distribution function (RDF) feature vector, in terms of predictive accuracy on density functional theory (DFT) material properties: cohesive energy (CE), density ( d ), electronic band gap (BG), and decomposition energy (Ed). It was confirmed that the proposed feature vector from Voronoi real value binning generally outperforms the RDF-based one for the prediction of aforementioned properties. Together with electronegativity-based features, Voronoi-tessellation features from a given crystal structure that are derived from second-nearest neighbor information contribute significantly towards prediction.

Crystal field analysis of the energy level structure of Cs2NaAlF6:Cr3+

NASA Astrophysics Data System (ADS)

Rudowicz, C.; Brik, M. G.; Avram, N. M.; Yeung, Y. Y.; Gnutek, P.

2006-06-01

An analysis of the energy level structure of Cr3+ ions in Cs2NaAlF6 crystal is performed using the exchange charge model (ECM) together with the crystal field analysis/microscopic spin Hamiltonian (CFA/MSH) computer package. Utilizing the crystal structure data, our approach enables modelling of the crystal field parameters (CFPs) and thus the energy level structure for Cr3+ ions at the two crystallographically inequivalent sites in Cs2NaAlF6. Using the ECM initial adjustment procedure, the CFPs are calculated in the crystallographic axis system centred at the Cr3+ ion at each site. Additionally the CFPs are also calculated using the superposition model (SPM). The ECM and SPM predicted CFP values match very well. Consideration of the symmetry aspects for the so-obtained CFP datasets reveals that the latter axis system matches the symmetry-adapted axis system related directly to the six Cr-F bonds well. Using the ECM predicted CFPs as an input for the CFA/MSH package, the complete energy level schemes are calculated for Cr3+ ions at the two sites. Comparison of the theoretical results with the experimental spectroscopic data yields satisfactory agreement. Our results confirm that the actual symmetry at both impurity sites I and II in the Cs2NaAlF6:Cr3+ system is trigonal D3d. The ECM predicted CFPs may be used as the initial (starting) parameters for simulations and fittings of the energy levels for Cr3+ ions in structurally similar hosts.

Extreme magnetoresistance and SdH oscillation in compensated semimetals of NbSb2 single crystals

NASA Astrophysics Data System (ADS)

Guo, Lei; Liu, Yu-Kuai; Gao, Guan-Yin; Huang, Ye-Yu; Gao, Heng; Chen, Lei; Zhao, Weiyao; Ren, Wei; Li, Shi-Yan; Li, Xiao-Guang; Dong, Shuai; Zheng, Ren-Kui

2018-04-01

Topological semimetals represent one of the most interesting classes of materials that continue to attract worldwide interest. Here, we report magnetotransport properties of MPn2-type (M = Nb, Ta; Pn = P, As, Sb) NbSb2 single-crystal semimetals with a centrosymmetric C12/m1 space group, paramagnetic ground state, and non-saturation parabolic-like magnetoresistance. The NbSb2 crystals show metallic conductivity down to 2 K and undergo a metal-to-insulator-like transition under a magnetic field B (B ≥ 4 T) and exhibit a resistivity plateau in the low-temperature region (T ≤ 10 K), where the value of resistivity strongly depends on the magnitude and direction of the magnetic field. Upon sweeping the magnetic field from 0 to 14.5 T in the transverse configuration at T = 1.5 K, the NbSb2 crystal shows a large positive magnetoresistance (4.2 × 103% at B = 14.5 T) with Shubnikov-de Haas (SdH) oscillation. Hall measurements reveal that both the carrier compensation between electrons and holes and the high mobility and large mean free path of carriers contribute to the large magnetoresistance. Fast Fourier transform analyses of angle-resolved SdH oscillation indicate that the Fermi surface of the NbSb2 crystal is quasi-two-dimensional with three-dimensional components. These findings, together with the theoretically calculated electronic band structure obtained within the framework of density functional theory, suggest that NbSb2 is a good candidate compensated semimetal for further theoretical and experimental investigation of this family of materials.

Determination of small field synthetic single-crystal diamond detector correction factors for CyberKnife, Leksell Gamma Knife Perfexion and linear accelerator.

PubMed

Veselsky, T; Novotny, J; Pastykova, V; Koniarova, I

2017-12-01

The aim of this study was to determine small field correction factors for a synthetic single-crystal diamond detector (PTW microDiamond) for routine use in clinical dosimetric measurements. Correction factors following small field Alfonso formalism were calculated by comparison of PTW microDiamond measured ratio M Qclin fclin /M Qmsr fmsr with Monte Carlo (MC) based field output factors Ω Qclin,Qmsr fclin,fmsr determined using Dosimetry Diode E or with MC simulation itself. Diode measurements were used for the CyberKnife and Varian Clinac 2100C/D linear accelerator. PTW microDiamond correction factors for Leksell Gamma Knife (LGK) were derived using MC simulated reference values from the manufacturer. PTW microDiamond correction factors for CyberKnife field sizes 25-5 mm were mostly smaller than 1% (except for 2.9% for 5 mm Iris field and 1.4% for 7.5 mm fixed cone field). The correction of 0.1% and 2.0% for 8 mm and 4 mm collimators, respectively, needed to be applied to PTW microDiamond measurements for LGK Perfexion. Finally, PTW microDiamond M Qclin fclin /M Qmsr fmsr for the linear accelerator varied from MC corrected Dosimetry Diode data by less than 0.5% (except for 1 × 1 cm 2 field size with 1.3% deviation). Regarding low resulting correction factor values, the PTW microDiamond detector may be considered an almost ideal tool for relative small field dosimetry in a large variety of stereotactic and radiosurgery treatment devices. Copyright © 2017 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

Model of Anisotropic Magnetization of In(1-x)Mn(x)S: Comparison to Experiment

NASA Astrophysics Data System (ADS)

Garner, J.; Franzese, G.; Byrd, Ashlee; Pekarek, T. M.; Miotkowski, I.; Ramdas, A. K.

2004-03-01

Calculations of and experimental results for the anisotropic magnetization of the new III-VI dilute magnetic semiconductor, In(1-x)Mn(x)S, are presented. The model Hamiltonian incorporates the interaction of the incomplete shell of Mn 3d-electrons with the crystal lattice within the point-ion approximation. Other terms in the Hamiltonian include the Zeeman interaction, the spin-orbit and the spin-spin terms. It is assumed the Mn atoms do not interact with each other (this is the singlet model, which is appropriate when x is small, here 2%). The temperature- and field- dependent magnetization is found from the energy eigenvalues of the Hamiltonian matrix, which was expressed in terms of an uncoupled angular momentum basis set. Magnetization versus temperature results are found for several field values, B, pointing along various directions relative to the underlying dilute magnetic semiconductor crystal lattice. In addition, the magnetization versus field is computed for several fixed temperatures and for various B-field directions and magnitudes. Overall, the agreement of this simple model with the experimental data is very good except at low temperatures (< 20 K) and high fields (> a few Tesla). It would be useful for quantitative comparison purposes to have optical absorption data in order to better fix the crystal potential parameters that are input parameters in the theory. In addition, the model could be improved by going beyond the point-ion approximation to better model the covalent bonds in the crystal.* Supported by UNF Research Grants, Research Corporation Award, CC4845, NSF Grant Nos. DMR-03-05653, DMR-01-02699, and ECS-01-29853 and Donors of the American Chemical Society Petroleum Research Fund PRF#40209-B5M, and a Purdue Univ. Academic Reimbursement Grant.

Eu3+-doped (Y0.5La0.5)2O3: new nanophosphor with the bixbyite cubic structure

NASA Astrophysics Data System (ADS)

Đorđević, Vesna; Nikolić, Marko G.; Bartova, Barbora; Krsmanović, Radenka M.; Antić, Željka; Dramićanin, Miroslav D.

2013-01-01

New red sesquioxide phosphor, Eu3+-doped (Y0.5La0.5)2O3, was synthesized in the form of nanocrystalline powder with excellent structural ordering in cubic bixbyite-type, and with nanoparticle sizes ranging between 10 and 20 nm. Photoluminescence measurements show strong, Eu3+ characteristic, red emission ( x = 0.66 and y = 0.34 CIE color coordinates) with an average 5D0 emission lifetime of about 1.3 ms. Maximum splitting of the 7F1 manifold of the Eu3+ ion emission behaves in a way directly proportional to the crystal field strength parameter, and experimental results show perfect agreement with theoretical values for pure cubic sesquioxides. This could be used as an indicator of complete dissolution of Y2O3 and La2O3, showing that (Y0.5La0.5)2O3:Eu3+ behaves as a new bixbyite structure oxide, M2O3, where M acts as an ion having average ionic radius of constituting Y3+ and La3+. Emission properties of this new phosphor were documented with detailed assignments of Eu3+ energy levels at 10 K and at room temperature. Second order crystal field parameters were found to be B 20 = -66 cm-1 and B 22 = -665 cm-1 at 10 K and B 20 = -78 cm-1 and B 22 = -602 cm-1 at room temperature, while for the crystal field strength the value of 1495 cm-1 was calculated at 10 K and 1355 cm-1 at room temperature.

Effect of axial magnetic field on three-dimensional instability of natural convection in a vertical Bridgman growth configuration

NASA Astrophysics Data System (ADS)

Gelfgat, A. Yu.; Bar-Yoseph, P. Z.; Solan, A.

2001-08-01

A study of the effect of an externally imposed magnetic field on the axisymmetry-breaking instability of an axisymmetric convective flow, associated with crystal growth from bulk of melt, is presented. Convection in a vertical cylinder with a parabolic temperature profile on the sidewall is considered as a representative model. A parametric study of the dependence of the critical Grashof number Gr cr on the Hartmann number Ha for fixed values of the Prandtl number (Pr=0.015) and the aspect ratio of the cylinder ( A=height/radius=1, 2 and 3) is carried out. The stability diagram Gr cr(Ha) corresponding to the axisymmetric—three-dimensional transition for increasing values of the axial magnetic field is obtained. The calculations are done using the spectral Galerkin method allowing an effective and accurate three-dimensional stability analysis. It is shown that at relatively small values of Ha the axisymmetric flow tends to be oscillatory unstable. After the magnitude of the magnetic field (Ha) exceeds a certain value the instability switches to a steady bifurcation caused by the Rayleigh-Bénard mechanism.

Heat capacity, resistivity, and angular dependent magnetization studies of single crystal Nd 1 + ϵ Fe 4 B 4 for ϵ ≈ 1 7

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

Conner, Benjamin S.; Susner, Michael A.; UES Inc., Beavercreek, OH

Advances in crystal growth have allowed for synthesis of large single crystals of Nd 1+ϵFe 4B 4, a well-known phase with a modulated structure. As a result we are able to report heat capacity and resistivity measurements on a single crystal Nd 1+ϵFe 4B 4 sample with a distribution of ϵ that skews towards the solubility limit of Nd near ϵ ≈ 17. Heat capacity measurements show evidence of crystal field splitting at temperatures higher than the long-range ferromagnetic Curie temperature. Heat capacity, resistivity, and magnetization measurements all confirm a Curie temperature of 7 K which is lower than previouslymore » reported values in the Nd 1+ϵFe 4B 4 system. Here, we also perform measurements of the angular dependence of the magnetization and discover behavior associated with the magnetic anisotropy that is inconsistent with the simple description previously proposed.« less

Heat capacity, resistivity, and angular dependent magnetization studies of single crystal Nd 1 + ϵ Fe 4 B 4 for ϵ ≈ 1 7

DOE PAGES

Conner, Benjamin S.; Susner, Michael A.; UES Inc., Beavercreek, OH; ...

2017-04-04

Advances in crystal growth have allowed for synthesis of large single crystals of Nd 1+ϵFe 4B 4, a well-known phase with a modulated structure. As a result we are able to report heat capacity and resistivity measurements on a single crystal Nd 1+ϵFe 4B 4 sample with a distribution of ϵ that skews towards the solubility limit of Nd near ϵ ≈ 17. Heat capacity measurements show evidence of crystal field splitting at temperatures higher than the long-range ferromagnetic Curie temperature. Heat capacity, resistivity, and magnetization measurements all confirm a Curie temperature of 7 K which is lower than previouslymore » reported values in the Nd 1+ϵFe 4B 4 system. Here, we also perform measurements of the angular dependence of the magnetization and discover behavior associated with the magnetic anisotropy that is inconsistent with the simple description previously proposed.« less

Thermal conductivity and thermoelectric power of melt processed (Nd/Y)BCO intergrowth crystals

NASA Astrophysics Data System (ADS)

Shams, G. A.; Cochrane, J. W.; Russell, G. J.

2000-07-01

In a previous paper [C. Cipagauta Mino, J.W. Cochrane, E.H. Volckmann, G.J. Russell, J. Electron. Mater. 26 (1997) 915.], we described a cryogenic thermoelectric cooler with a superconducting passive branch. The efficiency of this device depends on selecting an optimal cross-sectional area for the superconducting element based on its thermal conductivity in a magnetic field. (Nd/Y)BCO intergrowth crystals make an ideal superconducting element due to their relativity low thermal conductivity, high critical current, and large size. In this paper, we describe the thermal conductivity and thermoelectric power over the temperature range 20-300 K in applied magnetic fields up to 5000 G, for a specimen cut from a large high quality melt processed (Nd/Y)BCO intergrowth crystal that has almost optimum oxygen content, estimated to be 6.92±0.02. The shape of the κab and κc curves, without applied field, are similar to those reported for Y123 single crystals, but the absolute values are significantly smaller. This result is discussed in terms of the presence of dispersed particles of the (Nd/Y)211 phase and increased phonon and carrier scattering. However, in the normal state, the anisotropic ratio κabn/ κcn is almost identical in shape and magnitude to that of the electrical conductivity ratio σabn/ σcn. The application of magnetic fields either parallel or perpendicular to the heat flow direction always decreases κab and κc for temperatures below Tc and 120 K, respectively. Superconducting fluctuation phenomena was observed about Tc for both the thermoelectric power and κab data.

Spin dynamics, electronic, and thermal transport properties of two-dimensional CrPS4 single crystal

NASA Astrophysics Data System (ADS)

Pei, Q. L.; Luo, X.; Lin, G. T.; Song, J. Y.; Hu, L.; Zou, Y. M.; Yu, L.; Tong, W.; Song, W. H.; Lu, W. J.; Sun, Y. P.

2016-01-01

2-Dimensional (2D) CrPS4 single crystals have been grown by the chemical vapor transport method. The crystallographic, magnetic, electronic, and thermal transport properties of the single crystals were investigated by the room-temperature X-ray diffraction, electrical resistivity ρ(T), specific heat CP(T), and the electronic spin response (ESR) measurements. CrPS4 crystals crystallize into a monoclinic structure. The electrical resistivity ρ(T) shows a semiconducting behavior with an energy gap Ea = 0.166 eV. The antiferromagnetic transition temperature is about TN = 36 K. The spin flipping induced by the applied magnetic field is observed along the c axis. The magnetic phase diagram of CrPS4 single crystal has been discussed. The extracted magnetic entropy at TN is about 10.8 J/mol K, which is consistent with the theoretical value R ln(2S + 1) for S = 3/2 of the Cr3+ ion. Based on the mean-field theory, the magnetic exchange constants J1 and Jc corresponding to the interactions of the intralayer and between layers are about 0.143 meV and -0.955 meV are obtained based on the fitting of the susceptibility above TN, which agree with the results obtained from the ESR measurements. With the help of the strain for tuning the magnetic properties, monolayer CrPS4 may be a promising candidate to explore 2D magnetic semiconductors.

Domain and phase change contributions to response in high strain piezoelectric actuators

NASA Astrophysics Data System (ADS)

Cross, L. Eric

2000-09-01

Current solid state actuators are briefly compared to traditional actuator technologies to highlight the major need for enhanced strain capability. For the ferroelectric piezoelectric polycrystal ceramics, the balance of evidence suggests a large entrinsic contribution to the field induced strain from ferroelectric-ferroelastic domain wall motion. Here-to-fore the intrinsic single domain contribution has been derived indirectly from phenomenological analysis. Now, new evidence of a stable monoclinic phase at compositions very close to the MPB suggest that the previous assessment will need to be revised. Actuator behavior in the new lead zinc niobate-lead titanate (PZN:PT) single crystal shows most unusual anisotropic behavior. For 111 oriented field poled crystals in the rhombohedral phase normal low induced strain is observed. For 001 field poled crystals however massive (0.6%) quasi-linear anhysteritic strain can be induced. Since the 001 oriented field in the rhombohedral phase can not drive ferroelastic domain walls it is suggested that the strain must be intrinsic. The suggestion is that it is due to an induced monoclinic phase in which the Ps vector tilts under increasing field up to more than 20° from 111, before the vector switches to the tetragonal 001 direction. Such a polarization rotation mechanism has also been suggested by Fu and Cohen. Calculations of induced single domain strain using measured electrostriction constants agree well with observed behavior. Recent measurements by Park et al. and Wada et al. on single crystal BaTiO3 show strongly enhanced piezoelectricity at temperatures near the ferroelectric phase transitions. Of particular relevance is the inverse experiment forcing the tetragonal over to the rhombohedral phase with high 111 oriented field. From this result it is suggested that both cubic and dodecahedral mirrors participate in the reorientation through orthorhombic to the rhombohedral state giving rise to different value of the induced d33 at different field levels.

Characterization of Anodic Aluminum Oxide Membrane with Variation of Crystallizing Temperature for pH Sensor.

PubMed

Yeo, Jin-Ho; Lee, Sung-Gap; Jo, Ye-Won; Jung, Hye-Rin

2015-11-01

We fabricated electrolyte-dielectric-metal (EDM) device incorporating a high-k Al2O3 sensing membrane from a porous anodic aluminum oxide (AAO) using a two step anodizing process for pH sensors. In order to change the properties of the AAO template, the crystallizing temperature was varied from 400 degrees C to 700 degrees C over 2 hours. The structural properties were observed by field emission scanning electron microscopy (FE-SEM). The pH sensitivity increased with an increase in the crystallizing temperature from 400 degrees C to 600 degrees C. However at 700 degrees C, deformation occurred. The porous AAO sensor with a crystallizing temperature of 600 degrees C displayed the good sensitivity and long-term stability and the values were 55.7 mV/pH and 0.16 mV/h, respectively.

Pulsed electron nuclear double resonance studies of the photoexcited triplet state of pentacene in p-terphenyl crystals at room temperature.

PubMed

Yago, Tomoaki; Link, Gerhard; Kothe, Gerd; Lin, Tien-Sung

2007-09-21

Pulsed electron nuclear double resonance (ENDOR) using a modified Davies-type [Phys. Lett. 47A, 1 (1974)] sequence is employed to study the hyperfine (HF) structure of the photoexcited triplet state of pentacene dispersed in protonated and deuterated p-terphenyl single crystals. The strong electron spin polarization and long phase memory time of triplet pentacene enable us to perform the ENDOR measurements on the S=1 spin system at room temperature. Proton HF tensor elements and spin density values of triplet pentacene are extracted from a detailed angular-dependent study in which the orientation of the magnetic field is varied systematically in two different pentacene planes. Analysis reveals that the pentacene molecule is no longer planar in the p-terphenyl host lattice. The distortion is more pronounced in the deuterated crystal where the unit cell dimensions are slightly smaller than those of the protonated crystal.

Table-like magnetocaloric effect and enhanced refrigerant capacity in crystalline Gd55Co35Mn10 alloy melt spun ribbons

NASA Astrophysics Data System (ADS)

Mo, H. Y.; Zhong, X. C.; Jiao, D. L.; Liu, Z. W.; Zhang, H.; Qiu, W. Q.; Ramanujan, R. V.

2018-06-01

Gd55Co35Mn10 ribbons were prepared by melt-spinning and subsequent crystallization treatment. Crystallization resulted in the precipitation of the Gd3Co-type and Gd12Co7-type phases in the amorphous matrix. Under a magnetic field change of 0-5 T, a table-like magnetocaloric effect, with a maximum magnetic entropy change (- ΔSM) max of 5.46Jkg-1K-1 in the temperature range of 137-180 K and enhanced refrigerant capacity (RC) of 536.4Jkg-1, was achieved in Gd55Co35Mn10 ribbons crystallized at 600 K for 30 min. The table-like (- ΔSM) max feature and enhanced RC values make Gd55Co35Mn10 crystallized ribbons promising for Ericsson-cycle magnetic refrigeration in the temperature range from 137 to 180 K.

Magnetic properties of single crystal alpha-benzoin oxime: An EPR study

NASA Astrophysics Data System (ADS)

Sayin, Ulku; Dereli, Ömer; Türkkan, Ercan; Ozmen, Ayhan

2012-02-01

The electron paramagnetic resonance (EPR) spectra of gamma irradiated single crystals of alpha-benzoinoxime (ABO) have been examined between 120 and 440 K. Considering the dependence on temperature and the orientation of the spectra of single crystals in the magnetic field, we identified two different radicals formed in irradiated ABO single crystals. To theoretically determine the types of radicals, the most stable structure of ABO was obtained by molecular mechanic and B3LYP/6-31G(d,p) calculations. Four possible radicals were modeled and EPR parameters were calculated for the modeled radicals using the B3LYP method and the TZVP basis set. Calculated values of two modeled radicals were in strong agreement with experimental EPR parameters determined from the spectra. Additional simulated spectra of the modeled radicals, where calculated hyperfine coupling constants were used as starting points for simulations, were well matched with experimental spectra.

Low-Temperature Crystal Structures of the Hard Core Square Shoulder Model.

PubMed

Gabriëlse, Alexander; Löwen, Hartmut; Smallenburg, Frank

2017-11-07

In many cases, the stability of complex structures in colloidal systems is enhanced by a competition between different length scales. Inspired by recent experiments on nanoparticles coated with polymers, we use Monte Carlo simulations to explore the types of crystal structures that can form in a simple hard-core square shoulder model that explicitly incorporates two favored distances between the particles. To this end, we combine Monte Carlo-based crystal structure finding algorithms with free energies obtained using a mean-field cell theory approach, and draw phase diagrams for two different values of the square shoulder width as a function of the density and temperature. Moreover, we map out the zero-temperature phase diagram for a broad range of shoulder widths. Our results show the stability of a rich variety of crystal phases, such as body-centered orthogonal (BCO) lattices not previously considered for the square shoulder model.

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

Electronic, magnetic properties and phase diagrams of system with Fe4N compound: An ab initio calculations and Monte Carlo study

NASA Astrophysics Data System (ADS)

Masrour, R.; Jabar, A.; Hlil, E. K.

2018-05-01

Self-consistent ab initio calculations, based on Density Functional Theory (DFT) approach and using Full potential Linear Augmented Plane Wave (FLAPW) method, are performed to investigate the electronic and magnetic properties of the Fe4N compound. Polarized spin and spin-orbit coupling are included in calculations within the framework of the ferromagnetic state between Fe(I) and Fe(II) in Fe4N compound. We have used the obtained data from abinitio calculations as an input in Monte Carlo simulation to calculate the magnetic properties of this compounds such as the ground state phase diagrams, total and partial magnetization of Fe(I) and Fe(II) as well as the transition temperatures are computed. The variation of magnetization with the crystal field are also studied. The magnetic hysteresis cycle of the same Fe4N compound are determined for different values of temperatures and crystal field values. The two-step hysteresis loop are evidenced, which is typical for Fe4N structure. The ferromagnetic and superparamagnetic phase is observed as well.

Effects of magnetic fields on dissolution of arthritis causing crystals

NASA Astrophysics Data System (ADS)

Takeuchi, Y.; Iwasaka, M.

2015-05-01

The number of gout patients has rapidly increased because of excess alcohol and salt intake. The agent responsible for gout is the monosodium urate (MSU) crystal. MSU crystals are found in blood and consist of uric acid and sodium. As a substitute for drug dosing or excessive water intake, physical stimulation by magnetic fields represents a new medical treatment for gout. In this study, we investigated the effects of a magnetic field on the dissolution of a MSU crystal suspension. The white MSU crystal suspension was dissolved in an alkaline solution. We measured the light transmission of the MSU crystal suspension by a transmitted light measuring system. The magnetic field was generated by a horizontal electromagnet (maximum field strength was 500 mT). The MSU crystal suspension that dissolved during the application of a magnetic field of 500 mT clearly had a higher dissolution rate when compared with the control sample. We postulate that the alkali solution promoted penetration upon diamagnetic rotation and this magnetic field orienting is because of the pronounced diamagnetic susceptibility anisotropy of the MSU crystal. The results indicate that magnetic fields represent an effective gout treatment approach.

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.

Continuous diffraction of molecules and disordered molecular crystals

PubMed Central

Yefanov, Oleksandr M.; Ayyer, Kartik; White, Thomas A.; Barty, Anton; Morgan, Andrew; Mariani, Valerio; Oberthuer, Dominik; Pande, Kanupriya

2017-01-01

The intensities of far-field diffraction patterns of orientationally aligned molecules obey Wilson statistics, whether those molecules are in isolation (giving rise to a continuous diffraction pattern) or arranged in a crystal (giving rise to Bragg peaks). Ensembles of molecules in several orientations, but uncorrelated in position, give rise to the incoherent sum of the diffraction from those objects, modifying the statistics in a similar way as crystal twinning modifies the distribution of Bragg intensities. This situation arises in the continuous diffraction of laser-aligned molecules or translationally disordered molecular crystals. This paper develops the analysis of the intensity statistics of such continuous diffraction to obtain parameters such as scaling, beam coherence and the number of contributing independent object orientations. When measured, continuous molecular diffraction is generally weak and accompanied by a background that far exceeds the strength of the signal. Instead of just relying upon the smallest measured intensities or their mean value to guide the subtraction of the background, it is shown how all measured values can be utilized to estimate the background, noise and signal, by employing a modified ‘noisy Wilson’ distribution that explicitly includes the background. Parameters relating to the background and signal quantities can be estimated from the moments of the measured intensities. The analysis method is demonstrated on previously published continuous diffraction data measured from crystals of photosystem II [Ayyer et al. (2016 ▸), Nature, 530, 202–206]. PMID:28808434

Magnetostriction and corrosion studies in single crystals of iron-gallium alloys

NASA Astrophysics Data System (ADS)

Jayaraman, Tanjore V.

Iron-gallium alloys have an excellent combination of large low-field magnetostriction, good mechanical properties, low hysteresis, and relatively low cost. This dissertation focuses on the magneto striction and corrosion behaviors of single crystals of Fe-Ga alloys. In the first part, the variation of magnetostrictive coefficient: (3/2) lambda100, with composition and heat treatment conditions of Fe-Ga alloys, is examined. Single crystals with compositions Fe-15 at.% Ga, Fe-20 at.% Ga, and Fe-27.5 at.% Ga were obtained by (a) vertical Bridgman technique (DG) and (b) vertical Bridgman technique followed by long-term annealing (LTA) and quenching. Rapid quenching from a phase region improves the (3/2) lambda 100 value in these alloys. X-ray diffraction characterization showed for the first time the direct evidence of short-range ordering in these alloys. The second part reports the first study of alpha" ordering heat treatment on the elastic properties and magnetostriction of Fe-27.5 at.% Ga alloy single crystals. The elastic constants were measured using resonant ultrasound spectroscopy (RUS), and the elastic properties and magneto-elastic coupling constant were calculated. The (3/2) lambda100 and B1 values obtained for a phase were higher than alpha" phase. The third part examines the first study of corrosion behavior of as-cast FeGa and Fe-Ga-Al alloys in acidic, basic, and simulated seawater environments. Corrosion measurements were performed by Tafel scan and polarization resistance method and in general exhibited good corrosion resistance. The fourth part examines the first study of corrosion behavior of Fe-15 at.% Ga, Fe-20 at.% Ga, and Fe-27.5 at.% Ga DG and LTA alloy single crystals and the dependence of corrosion rates on the crystal orientations. The corrosion resistance was better in basic environments followed by simulated seawater and acidic environments. The fifth part examines the effect of magnetostriction on the corrosion behavior of [100]-oriented single crystal of Fe-20 at.% Ga alloy in acidic and simulated seawater solution, first study ever of this kind. Magnetostrictive strain introduced on the application of saturation magnetic field increased the corrosion rate of [100]-oriented Fe-20 at.% Ga alloy single crystal by 40% in 0.1M HCl and decreased the corrosion rate by 15% in 3.5 wt.% NaCl solution.

Experimental and molecular dynamics simulation study of the sublimation and vaporization energetics of iron metalocenes. crystal structures of Fe(eta5-C5H4CH3)2 and Fe[(eta5-(C5H5)(eta5-C5H4CHO)].

PubMed

Lousada, Claudio M; Pinto, Susana S; Lopes, José N Canongia; da Piedade, M Fatima Minas; Diogo, Hermínio P; da Piedade, Manuel E Minas

2008-04-03

The standard molar enthalpies of sublimation of ferrocene, 1,1'-dimethylferrocene, decamethylferrocene, ferrocenecarboxaldehyde and alpha-methylferrocenemethanol, and the enthalpy of vaporization of N,N-dimethyl(aminomethyl)ferrocene, at 298.15 K, were determined by Calvet-drop microcalorimetry and/or the Knudsen effusion method. The obtained values were used to assess and refine our previously developed force field for metallocenes. The modified force field was able to reproduce the deltasubHdegreesm and deltavapHdegreesm values of the test-set with an accuracy better than 5 kJ.mol-1, except for decamethylferrocene, in which case the deviation between the calculated and experimental deltasubHdegreesm values was 16.1 kJ.mol-1. The origin of the larger error found in the prediction of the sublimation energetics of decamethylferrocene, and which was also observed in the estimation of structural properties (e.g., density and unit cell dimensions), is discussed. Finally, the crystal structures of Fe(eta5-C5H4CH3)2 and Fe[(eta5-(C5H5)(eta5-C5H4CHO)] at 293 and 150 K, respectively, are reported.

Giant magnetocaloric effect and temperature induced magnetization jump in GdCrO{sub 3} single crystal

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

Yin, L. H.; Yang, J.; Kan, X. C.

2015-04-07

We report on a systematic study of the single-crystal GdCrO{sub 3}, which shows various novel magnetic features, such as temperature-induced magnetization reversal (TMR), temperature-induced magnetization jump (TMJ), spin reorientation, and giant magnetocaloric effect (MCE). In the field-cooled cooling process with modest magnetic field along the c axis, GdCrO{sub 3} first shows a TMR at T{sub comp}∼120−130 K and then an abrupt TMJ with a sign change of magnetization at T{sub jump}∼52−120 K, and finally a spin reorientation at T{sub SR}∼4−7 K. Interestingly, the remarkable TMJ behavior, which was not reported ever before, persists at higher fields up to 10 kOe even when TMRmore » disappears. In addition, giant MCE with the maximum value of magnetic entropy change reaching ∼31.6 J/kg K for a field change of 44 kOe was also observed in GdCrO{sub 3} single crystal, suggesting it could be a potential material for low-T magnetic refrigeration. A possible mechanism for these peculiar magnetic behaviors is discussed based on the various competing magnetic interactions between the 3d electrons of Cr{sup 3+} ions and 4f electrons of Gd{sup 3+} ions.« less

5 × 5 cm2 silicon photonic crystal slabs on glass and plastic foil exhibiting broadband absorption and high-intensity near-fields

PubMed Central

Becker, C.; Wyss, P.; Eisenhauer, D.; Probst, J.; Preidel, V.; Hammerschmidt, M.; Burger, S.

2014-01-01

Crystalline silicon photonic crystal slabs are widely used in various photonics applications. So far, the commercial success of such structures is still limited owing to the lack of cost-effective fabrication processes enabling large nanopatterned areas (≫ 1 cm2). We present a simple method for producing crystalline silicon nanohole arrays of up to 5 × 5 cm2 size with lattice pitches between 600 and 1000 nm on glass and flexible plastic substrates. Exclusively up-scalable, fast fabrication processes are applied such as nanoimprint-lithography and silicon evaporation. The broadband light trapping efficiency of the arrays is among the best values reported for large-area experimental crystalline silicon nanostructures. Further, measured photonic crystal resonance modes are in good accordance with light scattering simulations predicting strong near-field intensity enhancements greater than 500. Hence, the large-area silicon nanohole arrays might become a promising platform for ultrathin solar cells on lightweight substrates, high-sensitive optical biosensors, and nonlinear optics. PMID:25073935

Field-induced phase transitions and enhanced double negative electrocaloric effects in (Pb,La)(Zr,Sn,Ti)O3 antiferroelectric single crystal

NASA Astrophysics Data System (ADS)

Zhuo, Fangping; Li, Qiang; Qiao, Huimin; Yan, Qingfeng; Zhang, Yiling; Xi, Xiaoqing; Chu, Xiangcheng; Long, Xifa; Cao, Wenwu

2018-03-01

Field-induced phase transitions and electrocaloric effect have been studied in (Pb,La)(Zr,Sn,Ti)O3 (PLZST) antiferroelectric single crystal. Temperature dependent dielectric, Raman spectra, as well as in situ domain evolution demonstrated that the order of phase transitions during heating is in the sequence of orthorhombic antiferroelectric → tetragonal antiferroelectric → cubic paraelectric. Enhanced negative electrocaloric effect value of -3.6 °C and electrocaloric strength of 0.3 K mm/kV at 125 °C have been achieved. Double negative effects (-0.7 °C at 45 °C and -3.6 °C at 125 °C) and a relatively large positive effect (1 °C) near Curie temperature (190 °C) have been found in the PLZST single crystal. Moreover, microscopic dipoles and a phenomenological Landau-type model were employed to understand these unusual electrocaloric effects. Enhanced negative effect and the coexistence of both negative and positive effects in one material are promising for us to develop practical solid-state cooling devices with high efficiency.

Crystal-field effects in fluoride crystals for optical refrigeration

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

Hehlen, Markus P

2010-01-01

The field of optical refrigeration of rare-earth-doped solids has recently seen an important breakthrough. The cooling of a YLiF{sub 4} (YLF) crystal doped with 5 mol% Yb3+ to 155 K by Seletskiy et al [NPhot] has surpassed the lowest temperatures ({approx}170 K for {approx}100 mW cooling capacity) that are practical with commercial multi-stage thermoelectric coolers (TEC) [Glaister]. This record performance has advanced laser cooling into an application relevant regime and has put first practical optical cryocoolers within reach. The result is also relevant from a material perspective since for the first time, an Yb3+-doped crystal has outperformed an Yb3+-doped glass.more » The record temperature of 208 K was held by the Yb3+-doped fluorozirconate glass ZBLAN. Advanced purification and glass fabrication methods currently under development are expected to also advance ZBLAN:Yb3+ to sub-TEC temperatures. However, recent achievements with YLF:Yb3+ illustrate that crystalline materials may have two potentially game-changing advantajes over glassy materials. First, the crystalline environment reduces the inhomogeneous broadening of the Yb3+ electronic transitions as compared to a glassy matrix. The respective sharpening of the crystal-field transitions increases the peak absorption cross section at the laser excitation wavelength and allows for more efficient pumping of the Yb3+ ions, particularly at low temperatures. Second, many detrimental impurities present in the starting materials tend to be excluded from the crystal during its slow growth process, in contrast to a glass where all impurities present in the starting materials are included in the glass when it is formed by temperature quenching a melt. The ultra high purity required for laser cooling materials [PRB] therefore may be easier to realize in crystals than in glasses. Laser cooling occurs by laser excitation of a rare-earth ion followed by anti-Stokes luminescence. Each such laser-cooling cycle extracts thermal energy from the solid and carries it away as high-entropy light, thereby cooling the material. In the ideal case, the respective laser-cooling power is given by the pump wavelength ({lambda}{sub p}), the mean fluorescence wavelength ({bar {lambda}}{sub L}), and the absorption coefficient (a{sub r}) of the pumped transition. These quantities are solely determined by crystal field interactions. On one hand, a large crystal-field splitting offers a favorably large difference of {lambda}{sub p} - {bar {lambda}}{sub L} and thus a high cooling efficiency {eta}{sub cool} = ({lambda}{sub p} - {bar {lambda}}{sub L})/{bar {lambda}}{sub L}. On the other hand, a small crystal-field splitting offers a high thermal population (n{sub i}) of the initial state of the pumped transition, giving a high pump absorption coefficient and thus high laser cooling power, particularly at low temperatures. A quantitative description of crystal-field interactions is therefore critical to the understanding and optimization of optical refrigeration. In the case of Yb3+ as the laser cooling ion, however, development of a crystal-field model is met with substantial difficulties. First, Yb3+ has only two 4/multiplets, {sup 2}F{sub 7/2} and {sup 2}F{sub 5/2}, which lead to at most 7 crystal-field levels. This makes it difficult, and in some cases impossible, to evaluate the crystal-field Hamiltonian, which has at least 4 parameters for any Yb3+ point symmety lower than cubic. Second, {sup 2}F{sub 7/2}{leftrightarrow}{sup 2}F{sub 5/2} transitions exhibit an exceptionally strong electron-phonon coupling compared to 4f transitions of other rare earths. This makes it difficult to distinguish electronic from vibronic transitions in the absorption and luminescence spectra and to reliably identify the crystal-field levels. Yb3+ crystal-field splittings reported in the literature should thus generally be viewed with caution. This paper explores the effects of crystal-field interactions on the laser cooling performance of Yb3+-doped fluoride crystals. It is shown that the total crystal-field splitting of the {sup 2}F{sub 7/2} and {sup 2}F{sub 5/2} multiplets of Yb3+ can be estimated from crystal-field splittings of other rare-earth-doped fluoride crystals. This approach takes advantage of an extensive body of experimental work from which Yb3+ doped fluoride crystals with favorable laser cooling properties might be identified. Section 2 reviews the crystal-field splitting of the 4f electronic states and introduces the crystal-field strength as a means to predict the total crystal-field splitting of the {sup 2}F{sub 7/2} and {sup 2}F{sub 5/2} multiplets. Section 3 illustrates the effect of the total {sup 2}F{sub 7/2} crystal field splitting on the laser cooling power. Finally, Section 4 compiles literature data on crystal-field splittings in fluoride crystals from which the {sup 2}F{sub 7/2} splitting is predicted.« less

Role of Er3+ concentration in high-resolution spectra of BaY2 F8 single crystals

NASA Astrophysics Data System (ADS)

Baraldi, A.; Capelletti, R.; Mazzera, M.; Ponzoni, A.; Amoretti, G.; Magnani, N.; Toncelli, A.; Tonelli, M.

2005-08-01

Fourier transform absorption spectroscopy with a resolution as fine as 0.02cm-1 was applied to Er3+ -doped monoclinic BaY2F8 laser crystals in a wide wave number range (500-24000cm-1) and in the temperature range 9-300 K. The careful analysis of the complex narrow line spectra induced by Er3+ allowed us to determine with high accuracy the crystal field splitting of the fundamental I15/24 and of the excited I13/24 , I11/24 , I9/24 , F9/24 , S3/24 , H11/22 , F7/24 , F5/24 , and F3/24 manifolds. On the basis of the experimental data, the crystal-field parameters were determined and Newman’s superposition model was applied: in this way a slight displacement of Er3+ with respect to the Y3+ position was foreseen. The Judd-Ofelt parameters were evaluated: the lifetime values deduced from them were compared to the experimental ones and discussed. The effects caused by increasing Er3+ concentrations (0.5%, 2%, 12%, and 20% atomic fraction) were studied in detail. The new lines, the line broadening, and the line-shape changes were explained in terms of Er3+-Er3+ interaction.

Investigation of the multiplet features of SrTiO 3 in X-ray absorption spectra based on configuration interaction calculations

DOE PAGES

Wu, M.; Xin, Houlin L.; Wang, J. O.; ...

2018-04-24

Synchrotron-based L 2,3-edge absorption spectra show strong sensitivities to the local electronic structure and chemical environment. However, detailed physical information cannot be extracted easily without computational aids. Here in this study using the experimental Ti L 2,3-edges absorption spectrum of SrTiO 3as a fingerprint and considering full multiplet effects, calculations yield different energy parameters characterizing local ground state properties. The peak splitting and intensity ratios of the L 3 and L 2 set of peaks are carefully analyzed quantitatively, giving rise to a small hybridization energy around 1.2 eV, and the different hybridization energy values reported in the literature aremore » further addressed. Finally, absorption spectra with different linearly polarized photons under various tetragonal crystal fields are investigated, revealing a non-linear orbital–lattice interaction, and a theoretical guidance for material engineering of SrTiO 3-based thin films and heterostructures is offered. Finally, detailed analysis of spectrum shifts with different tetragonal crystal fields suggests that the e g crystal field splitting is a necessary parameter for a thorough analysis of the spectra, even though it is not relevant for the ground state properties.« less

Investigation of the multiplet features of SrTiO 3 in X-ray absorption spectra based on configuration interaction calculations

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

Wu, M.; Xin, Houlin L.; Wang, J. O.

Synchrotron-based L 2,3-edge absorption spectra show strong sensitivities to the local electronic structure and chemical environment. However, detailed physical information cannot be extracted easily without computational aids. Here in this study using the experimental Ti L 2,3-edges absorption spectrum of SrTiO 3as a fingerprint and considering full multiplet effects, calculations yield different energy parameters characterizing local ground state properties. The peak splitting and intensity ratios of the L 3 and L 2 set of peaks are carefully analyzed quantitatively, giving rise to a small hybridization energy around 1.2 eV, and the different hybridization energy values reported in the literature aremore » further addressed. Finally, absorption spectra with different linearly polarized photons under various tetragonal crystal fields are investigated, revealing a non-linear orbital–lattice interaction, and a theoretical guidance for material engineering of SrTiO 3-based thin films and heterostructures is offered. Finally, detailed analysis of spectrum shifts with different tetragonal crystal fields suggests that the e g crystal field splitting is a necessary parameter for a thorough analysis of the spectra, even though it is not relevant for the ground state properties.« less

Coexistence of ferromagnetism and spin glass freezing in the site-disordered kagome ferrite SrSn2Fe4O11

NASA Astrophysics Data System (ADS)

Shlyk, Larysa; Strobel, S.; Farmer, B.; De Long, L. E.; Niewa, R.

2018-05-01

Single-crystal x-ray diffraction refinements indicate SrSn2Fe4O11 crystallizes in the hexagonal R-type ferrite structure with non-centrosymmetric space group P63mc and lattice parameters a = 5.9541(2) Å, c = 13.5761(5) Å, Z = 2 (R(F) = 0.034). Octahedrally coordinated sites are randomly occupied by Sn and Fe; whereas tetrahedrally coordinated sites are exclusively occupied by Fe, whose displacement from ideal trigonal-bipyramidal coordination causes the loss of inversion symmetry. DC magnetization data indicate SrSn2Fe4O11 single crystals undergo ferro- or ferri-magnetic order below a transition temperature TC = 630 K with very low coercive fields Hc ⊥ = 0.27 Oe and Hc// = 1.5 Oe at 300 K, for applied fields perpendicular and parallel to the c-axis, respectively. The value for TC is exceptionally high, and the coercive fields exceptionally low, among the known R-type ferrites. Enhanced coercivity and thermomagnetic hysteresis suggest the onset of short-range, spin glass order occurs below Tf = 35 K. Optical measurements indicate a band gap of 0.8 eV, consistent with wide-gap semiconducting behavior and a previously established empirical correlation between the semiconducting gap and TC for R-type ferrites based upon Ru.

Spectroscopic properties of K 5Li 2UF 10

NASA Astrophysics Data System (ADS)

Karbowiak, M.; Gajek, Z.; Drożdżyński, J.

2005-04-01

A new uranium (III) fluoro-complex of the formula K 5Li 2UF 10 has been synthesised and characterised by X-ray powder diffraction and electronic absorption spectra measurements. The compound crystallises in the orthorhombic system, space group Pnma, with a = 20.723, b = 7.809, c = 6.932 Å, V = 1121.89 Å 3, Z = 4 and is isostructural with its K 5Li 2NdF 10 and K 5Li 2LaF 10 analogous. The absorption spectrum of a polycrystalline sample of K 5Li 2UF 10 was recorded at 4.2 K in the 3500-45,000 cm -1 range and is discussed. The observed crystal-field levels were assigned and fitted to parameters of the simplified angular overlap model (AOM) and next to those of a semi-empirical Hamiltonian, which was representing the combined atomic and one-electron crystal-field interactions. The starting values of the AOM parameters were obtained from ab initio calculations. The analysis of the spectra enabled the assignment of 71 crystal-field levels of U 3+ with a relatively small r.m.s. deviation of 37 cm -1. The total splitting of 714 cm -1 was calculated for the 4I 9/2 ground multiplet.

Recent Advances in the Understanding of the Influence of Electric and Magnetic Fields on Protein Crystal Growth

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

Pareja-Rivera, Carina; Cuéllar-Cruz, Mayra; Esturau-Escofet, Nuria

Here, in this contribution we use nonconventional methods that help to increase the success rate of a protein crystal growth, and consequently of structural projects using X-ray diffraction techniques. In order to achieve this purpose, this contribution presents new approaches involving more sophisticated techniques of protein crystallization, not just for growing protein crystals of different sizes by using electric fields, but also for controlling crystal size and orientation. Also, this latter was possible through the use of magnetic fields that allow to obtain protein crystals suitable for both high-resolution X-ray and neutron diffraction crystallography where big crystals are required. Thismore » contribution discusses some pros, cons and realities of the role of electromagnetic fields in protein crystallization research, and their effect on protein crystal contacts. Additionally, we discuss the importance of room and low temperatures during data collection. Finally, we also discuss the effect of applying a rather strong magnetic field of 16.5 T, for shorts and long periods of time, on protein crystal growth, and on the 3D structure of two model proteins.« less

Recent Advances in the Understanding of the Influence of Electric and Magnetic Fields on Protein Crystal Growth

DOE PAGES

Pareja-Rivera, Carina; Cuéllar-Cruz, Mayra; Esturau-Escofet, Nuria; ...

2016-12-05

Here, in this contribution we use nonconventional methods that help to increase the success rate of a protein crystal growth, and consequently of structural projects using X-ray diffraction techniques. In order to achieve this purpose, this contribution presents new approaches involving more sophisticated techniques of protein crystallization, not just for growing protein crystals of different sizes by using electric fields, but also for controlling crystal size and orientation. Also, this latter was possible through the use of magnetic fields that allow to obtain protein crystals suitable for both high-resolution X-ray and neutron diffraction crystallography where big crystals are required. Thismore » contribution discusses some pros, cons and realities of the role of electromagnetic fields in protein crystallization research, and their effect on protein crystal contacts. Additionally, we discuss the importance of room and low temperatures during data collection. Finally, we also discuss the effect of applying a rather strong magnetic field of 16.5 T, for shorts and long periods of time, on protein crystal growth, and on the 3D structure of two model proteins.« less

Columnar-to-Equiaxed Transition and Equiaxed Grain Alignment in Directionally Solidified Ni3Al Alloy Under an Axial Magnetic Field

NASA Astrophysics Data System (ADS)

Liu, Huan; Xuan, Weidong; Xie, Xinliang; Li, Chuanjun; Wang, Jiang; Yu, Jianbo; Li, Xi; Zhong, Yunbo; Ren, Zhongming

2017-09-01

The effect of an axial magnetic field on the solidification structure in directionally solidified Ni-21.5Al-0.4Zr-0.1B (at. pct) alloy was investigated. The experimental results indicated that the application of a high magnetic field caused the deformation of dendrites and the occurrence of columnar-to-equiaxed transition (CET). The magnetic field tended to orient the 〈001〉 crystal direction of the equiaxed grains along the magnetic field direction. The bulk solidification experiment under a high magnetic field showed that the crystal exhibited magnetic crystalline anisotropy. Further, the thermoelectric (TE) magnetic force and TE magnetic convention were analyzed by three-dimensional (3-D) numerical simulations. The results showed that the maximum value of TE magnetic force localized in the vicinity of the secondary dendrite arm root, which should be responsible for the dendrite break and CET. Based on the high-temperature creep mechanism, a simple model was proposed to describe the magnetic field intensity needed for CET: B ≥ kG^{ - 1.5} R^{1.25} . The model is in good agreement with the experiment results. The experimental results should be attributed to the combined action of TE magnetic effects and the magnetic moment.

Crystal-field analysis of U3+ ions in K2LaX5 (X=Cl, Br or I) single crystals

NASA Astrophysics Data System (ADS)

Karbowiak, M.; Edelstein, N.; Gajek, Z.; Drożdżyński, J.

1998-11-01

An analysis of low temperature absorption spectra of U3+ ions doped in K2LaX5 (X=Cl, Br or I) single crystals is reported. The energy levels of the U3+ ion in the single crystals were assigned and fitted to a semiempirical Hamiltonian representing the combined atomic and crystal-field interactions at the Cs symmetry site. An analysis of the nephelauxetic effect and crystal-field splittings in the series of compounds is also reported.

Magnetization behavior of RE123 bulk magnets bearing twin seed-crystals in pulsed field magnetization processes

NASA Astrophysics Data System (ADS)

Oka, T.; Miyazaki, T.; Ogawa, J.; Fukui, S.; Sato, T.; Yokoyama, K.; Langer, M.

2016-02-01

Melt-textured Y-Ba-Cu-O high temperature superconducting bulk magnets were fabricated by the cold seeding method with using single or twin-seed crystals composed of Nd-Ba-Cu-O thin films on MgO substrates. The behavior of the magnetic flux penetration into anisotropic-grown bulk magnets thus fabricated was precisely evaluated during and after the pulsed field magnetization operated at 35 K. These seed crystals were put on the top surfaces of the precursors to grow large grains during the melt-processes. Although we know the magnetic flux motion is restricted by the enhanced pinning effect in temperature ranges lower than 77 K, we observed that flux invasion occurred at applied fields of 3.3 T when the twin seeds were used. This is definitely lower than those of 3.7 T when the single-seeds were employed. This means that the magnetic fluxes are capable of invading into twin-seeded bulk magnets more easily than single-seeded ones. The twin seeds form the different grain growth regions, the narrow-GSR (growth sector region) and wide-GSR, according to the different grain growth directions which are parallel and normal to the rows of seed crystals, respectively. The invading flux measurements revealed that the magnetic flux invades the sample from the wide-GSR prior to the narrow-GSR. It suggests that such anisotropic grain growth leads to different distributions of pinning centers, variations of J c values, and the formation of preferential paths for the invading magnetic fluxes. Using lower applied fields definitely contributed to lowering the heat generation during the PFM process, which, in turn, led to enhanced trapped magnetic fluxes.

Tuning the metal-insulator transition in d1 and d2 perovskites by epitaxial strain: A first-principles-based study

NASA Astrophysics Data System (ADS)

Sclauzero, Gabriele; Dymkowski, Krzysztof; Ederer, Claude

2016-12-01

We investigate the effect of epitaxial strain on the Mott metal-insulator transition (MIT) in perovskite systems with d1 and d2 electron configurations of the transition metal (TM) cation. We first discuss the general trends expected from the changes in the crystal-field splitting and in the hopping parameters that are induced by epitaxial strain. We argue that the strain-induced crystal-field splitting generally favors the Mott-insulating state, whereas the strain-induced changes in the hopping parameters favor the metallic state under compressive strain and the insulating state under tensile strain. Thus the two effects can effectively cancel each other under compressive strain, while they usually cooperate under tensile strain, in this case favoring the insulating state. We then validate these general considerations by performing electronic structure calculations for several d1 and d2 perovskites, using a combination of density functional theory (DFT) and dynamical mean-field theory (DMFT). We isolate the individual effects of strain-induced changes in either hopping or crystal-field by performing DMFT calculations where we fix one type of parameter to the corresponding unstrained DFT values. These calculations confirm our general considerations for SrVO3 (d1) and LaVO3 (d2), whereas the case of LaTiO3 (d1) is distinctly different, due to the strong effect of the octahedral tilt distortion in the underlying perovskite crystal structure. Our results demonstrate the possibility to tune the electronic properties of correlated TM oxides by using epitaxial strain, which allows to control the strength of electronic correlations and the vicinity to the Mott MIT.

EuCo 2P 2: A Model Molecular-Field Helical Heisenberg Antiferromagnet

DOE PAGES

Sangeetha, N. S.; Cuervo-Reyes, Eduardo; Pandey, Abhishek; ...

2016-07-19

The metallic compound EuCo 2P 2 with the body-centered tetragonal ThCr 2Si 2 structure containing Eu spins-7/2 was previously shown from single-crystal neutron diffraction measurements to exhibit a helical antiferromagnetic (AFM) structure below T N=66.5 K with the helix axis along the c axis and with the ordered moments aligned within the ab plane. Here we report crystallography, electrical resistivity, heat capacity, magnetization, and magnetic susceptibility measurements on single crystals of this compound. We demonstrate that EuCo 2P 2 is a model molecular-field helical Heisenberg antiferromagnet from comparisons of the anisotropic magnetic susceptibility χ, high-field magnetization, and magnetic heat capacitymore » of EuCo 2P 2 single crystals at temperature T≤TN with the predictions of our recent formulation of molecular-field theory. Values of the Heisenberg exchange interactions between the Eu spins are derived from the data. The low-T magnetic heat capacity ~T 3 arising from spin-wave excitations with no anisotropy gap is calculated and found to be comparable to the lattice heat capacity. The density of states at the Fermi energy of EuCo 2P 2 and the related compound BaCo 2P 2 are found from the heat capacity data to be large, 10 and 16 states/eV per formula unit for EuCo 2P 2 and BaCo 2P 2, respectively. These values are enhanced by a factor of ~2.5 above those found from DFT electronic structure calculations for the two compounds. Additionally, the calculations also find ferromagnetic Eu–Eu exchange interactions within the ab plane and AFM interactions between Eu spins in nearest- and next-nearest planes, in agreement with the MFT analysis of χ ab(T≤TN).« less

EuCo 2P 2: A Model Molecular-Field Helical Heisenberg Antiferromagnet

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

Sangeetha, N. S.; Cuervo-Reyes, Eduardo; Pandey, Abhishek

The metallic compound EuCo 2P 2 with the body-centered tetragonal ThCr 2Si 2 structure containing Eu spins-7/2 was previously shown from single-crystal neutron diffraction measurements to exhibit a helical antiferromagnetic (AFM) structure below T N=66.5 K with the helix axis along the c axis and with the ordered moments aligned within the ab plane. Here we report crystallography, electrical resistivity, heat capacity, magnetization, and magnetic susceptibility measurements on single crystals of this compound. We demonstrate that EuCo 2P 2 is a model molecular-field helical Heisenberg antiferromagnet from comparisons of the anisotropic magnetic susceptibility χ, high-field magnetization, and magnetic heat capacitymore » of EuCo 2P 2 single crystals at temperature T≤TN with the predictions of our recent formulation of molecular-field theory. Values of the Heisenberg exchange interactions between the Eu spins are derived from the data. The low-T magnetic heat capacity ~T 3 arising from spin-wave excitations with no anisotropy gap is calculated and found to be comparable to the lattice heat capacity. The density of states at the Fermi energy of EuCo 2P 2 and the related compound BaCo 2P 2 are found from the heat capacity data to be large, 10 and 16 states/eV per formula unit for EuCo 2P 2 and BaCo 2P 2, respectively. These values are enhanced by a factor of ~2.5 above those found from DFT electronic structure calculations for the two compounds. Additionally, the calculations also find ferromagnetic Eu–Eu exchange interactions within the ab plane and AFM interactions between Eu spins in nearest- and next-nearest planes, in agreement with the MFT analysis of χ ab(T≤TN).« less

Modeling local structure using crystal field and spin Hamiltonian parameters: the tetragonal FeK3+-OI2- defect center in KTaO3 crystal

NASA Astrophysics Data System (ADS)

Gnutek, P.; Y Yang, Z.; Rudowicz, C.

2009-11-01

The local structure and the spin Hamiltonian (SH) parameters, including the zero-field-splitting (ZFS) parameters D and (a+2F/3), and the Zeeman g factors g_{\\parallel } and g_{\\perp } , are theoretically investigated for the FeK3+-OI2- center in KTaO3 crystal. The microscopic SH (MSH) parameters are modeled within the framework of the crystal field (CF) theory employing the CF analysis (CFA) package, which also incorporates the MSH modules. Our approach takes into account the spin-orbit interaction as well as the spin-spin and spin-other-orbit interactions omitted in previous studies. The superposition model (SPM) calculations are carried out to provide input CF parameters for the CFA/MSH package. The combined SPM-CFA/MSH approach is used to consider various structural models for the FeK3+-OI2- defect center in KTaO3. This modeling reveals that the off-center displacement of the Fe3+ ions, Δ1(Fe3+), combined with an inward relaxation of the nearest oxygen ligands, Δ2(O2-), and the existence of the interstitial oxygen OI2- give rise to a strong tetragonal crystal field. This finding may explain the large ZFS experimentally observed for the FeK3+-OI2- center in KTaO3. Matching the theoretical MSH predictions with the available structural data as well as electron magnetic resonance (EMR) and optical spectroscopy data enables predicting reasonable ranges of values of Δ1(Fe3+) and Δ2(O2-) as well as the possible location of OI2- ligands around Fe3+ ions in KTaO3. The defect structure model obtained using the SPM-CFA/MSH approach reproduces very well the ranges of the experimental SH parameters D, g_{\\parallel } and g_{\\perp } and importantly yields not only the correct magnitude of D but also the sign, unlike previous studies. More reliable predictions may be achieved when experimental data on (a+2F/3) and/or crystal field energy levels become available. Comparison of our results with those arising from alternative models existing in the literature indicates considerable advantages of our method and presumably higher reliability of our predictions.

Structural, magnetic and magnetocaloric properties of Co-doped nanocrystalline La0.7Te0.3Mn0.7Co0.3O3

NASA Astrophysics Data System (ADS)

Meenakshi; Kumar, Amit; Mahato, Rabindra Nath

2018-02-01

Structural, magnetic and magnetocaloric properties of the nanocrystalline La0.7Te0.3Mn0.7Co0.3O3 perovskite manganite were investigated. X-ray diffraction pattern indicated that the nanocrystalline sample crystallized in orthorhombic crystal structure with Pbnm space group. The average particle size was calculated using scanning electron microscope and it was found to be ∼150 nm. Temperature dependence magnetization measurements revealed ferromagnetic-paramagnetic phase transition and the Curie temperature (TC) was found to be ∼201 K. Field dependence magnetization showed the hysteresis at low temperature with a coercive field of ∼0.34 T and linear dependence at high temperature corresponds to paramagnetic region. Based on the magnetic field dependence magnetization data, the maximum entropy change and relative cooling power (RCP) were estimated and the values were 1.002 J kg-1 K-1 and 90 J kg-1 for a field change of 5 T respectively. Temperature dependent resistivity ρ(T) data exhibited semiconducting-like behavior at high temperature and the electrical transport was well explained by Mott's variable-range hopping (VRH) conduction mechanism in the temperature range of 250 K-300 K. Using the VRH fit, the calculated hoping distance (Rh) at 300 K was 54.4 Å and density of states N(EF) at room temperature was 7.04 × 1018 eV-1 cm-3. These values were comparable to other semiconducting oxides.

Single crystals of metal solid solutions: A study

NASA Technical Reports Server (NTRS)

Miller, J. F.; Gelles, S. H.

1975-01-01

Report describes growth of silver-alloy crystals under widely varying conditions of growth rate, temperature gradient, and magnetic field. Role of gravitation and convection on crystal substructure is analyzed, as well as influence of magnetic fields applied during crystallization.

Effect of pressure on the metamagnetic transition of DyB 6 single crystal

NASA Astrophysics Data System (ADS)

Sakai, T.; Oomi, G.; Uwatoko, Y.; Kunii, S.

2007-03-01

The effects of pressure on the magnetization ( M) and the magnetostriction (MS) for DyB 6 single crystal have been measured at 4.2 K. It is found that the M loops are insensitive to pressure, whereas the large MS with magnitude of 0.5% at 5 T at ambient pressure is rapidly suppressed by applying pressure. The metamagnetic transition field HM in the M curve increases slightly by applying pressure with the rate of increase, ∂ ln HM/∂ P, of 0.03 GPa -1, which is almost the same value as that for TN, 0.04 GPa -1.

Surface photovoltage in exciton absorption range in CdS

NASA Technical Reports Server (NTRS)

Morawski, A.; Banisch, R.; Lagowski, J.

1977-01-01

The high resolution, intrinsic spectra of surface photovoltage are reported for semiconducting n-type CdS single crystals. At reduced temperatures (120-160 K) the spectra exhibit three sharp maxima due to A, B and C free exciton transitions. Energy positions of these lines and valence band parameters (spin-orbit and crystal field splittings) estimated from surface photovoltage are in good agreement with values obtained by other methods. The excitonic transitions are very sensitive to surface treatment, i.e. polishing, etching, background illumination and surface doping. The mechanism of direct interaction of free excitons with surface states is proposed to explain exciton lines in surface photovoltage.

Magnetic field dependence of Sommerfeld coefficient and penetration depth in NdFeAsO1-XFX single crystal

NASA Astrophysics Data System (ADS)

Purohit, Geetanjali; Pattanaik, Anup; Nayak, Pratibindhya

2018-05-01

Anisotropic properties of Sommerfeld coefficient and penetration depth for single crystal NdFeAsO1-xFx has been studied by using modified phenomenological Ginzburg-Landau (GL) theory. In the above two-band superconducting system, the calculated value of Sommerfeld coefficient shows very close proximity with the experimental result as reported by Welp. Further, anisotropic ratio of penetration depth also calculated and reported for this system. The results of anisotropic properties of the above superconducting system implied that modified GL-theory in the form presented here can be applicable to the above superconducting system.

Quick Fabrication of Large-area Organic Semiconductor Single Crystal Arrays with a Rapid Annealing Self-Solution-Shearing Method

PubMed Central

Li, Yunze; Ji, Deyang; Liu, Jie; Yao, Yifan; Fu, Xiaolong; Zhu, Weigang; Xu, Chunhui; Dong, Huanli; Li, Jingze; Hu, Wenping

2015-01-01

In this paper, we developed a new method to produce large-area single crystal arrays by using the organic semiconductor 9, 10-bis (phenylethynyl) anthracene (BPEA). This method involves an easy operation, is efficient, meets the demands of being low-cost and is independent of the substrate for large-area arrays fabrication. Based on these single crystal arrays, the organic field effect transistors exhibit the superior performance with the average mobility extracting from the saturation region of 0.2 cm2 V−1s−1 (the highest 0.47 cm2 V−1s−1) and on/off ratio exceeding 105. In addition, our single crystal arrays also show a very high photoswitch performance with an on/off current ratio up to 4.1 × 105, which is one of the highest values reported for organic materials. It is believed that this method provides a new way to fabricate single crystal arrays and has the potential for application to large area organic electronics. PMID:26282460

Conductive properties of switchable photoluminescence thermosetting systems based on liquid crystals.

PubMed

Tercjak, Agnieszka; Gutierrez, Junkal; Ocando, Connie; Mondragon, Iñaki

2010-03-16

Conductive properties of different thermosetting materials modified with nematic 4'-(hexyl)-4-biphenyl-carbonitrile (HBC) liquid crystal and rutile TiO(2) nanoparticles were successfully studied by means of tunneling atomic force miscroscopy (TUNA). Taking into account the liquid crystal state of the HBC at room temperature, depending on both the HBC content and the presence of TiO(2) nanoparticles, designed materials showed different TUNA currents passed through the sample. The addition of TiO(2) nanoparticles into the systems multiply the detected current if compared to the thermosetting systems without TiO(2) nanoparticles and simultaneously stabilized the current passed through the sample, making the process reversible since the absolute current values were almost the same applying both negative and positive voltage. Moreover, thermosetting systems modified with liquid crystals with and without TiO(2) nanoparticles are photoluminescence switchable materials as a function of temperature gradient during repeatable heating/cooling cycle. Conductive properties of switchable photoluminescence thermosetting systems based on liquid crystals can allow them to find potential application in the field of photoresponsive devices, with a high contrast ratio between transparent and opaque states.

Analysis of spin-Hamiltonian and molecular orbital coefficients of Cu2+ doped C8H11KO8 single crystal through EPR technique

NASA Astrophysics Data System (ADS)

Juliet sheela, K.; Krishnan, S. Radha; Shanmugam, V. M.; Subramanian, P.

2018-04-01

Electron paramagnetic resonance (EPR) studies have been investigated at X-band microwave frequency on Cu2+ ion incorporated into the single crystal of potassium succinate-succinic acid (KSSA) at room temperature. The angular variation of the EPR spectra has shown two magnetically in-equivalent Cu2+ sites in the KSSA single crystal system. The spin Hamiltonian parameters g and A are determined which reveals that the site I and site II occupied in rhombic and axial local field symmetry around the impurity ion. Among the two paramagnetic impurity ions, sites one occupies at substituitional position in the place of monovalent cation (K+) in the crystal whereas the other enters in its lattice interstitially by the correlation of EPR and crystal structure data. From the calculated principle values gxx, gyy, gzz and Axx, Ayy, Azz of both the sites, the admixture coefficients and molecular orbital coefficients were evaluated which gives the information of ground state wave function and types of bonding of impurity ions with the ligands.

Theoretical research on the spin-Hamiltonian parameters of the rhombic W5+ centers in CaWO4:Y3+ crystal

NASA Astrophysics Data System (ADS)

Mei, Yang; Wei, Cheng-Fu; Zheng, Wen-Chen

2016-02-01

Detailed theoretical calculations for the spin-Hamiltonian parameters (g factors gi and hyperfine structure constants Ai, where i=x, y, z) of the rhombic W5+ center in CaWO4:Y3+ crystal are performed by using the high-order perturbation formulas for d1 ions in rhombic tetrahedral clusters with the ground state |dz2>. These formulas consist of the contributions from two mechanisms, the crystal-field (CF) mechanism connected with CF excited states in the vastly-used CF theory and the frequently-neglected charge-transfer (CT) mechanism related to CT excited states. The calculated results agree well with the experimental values. The calculations indicate that for W5+ ion (or other high valence state dn ions) in crystals, the model calculations of spin-Hamiltonian parameters should take both the CF and CT mechanisms into account. The signs of hyperfine structure constants Ai are suggested and the forming (or defect model) of rhombic W5+ center in CaWO4:Y3+ crystal is confirmed from the calculations.

Theoretical research of the spin-Hamiltonian parameters for two rhombic W5+ centers in KTiOPO4 (KTP) crystal through a two-mechanism model

NASA Astrophysics Data System (ADS)

Mei, Yang; Chen, Bo-Wei; Wei, Chen-Fu; Zheng, Wen-Chen

2016-09-01

The high-order perturbation formulas based on the two-mechanism model are employed to calculate the spin-Hamiltonian parameters (g factors gi and hyperfine structure constants Ai, where i=x, y, z) for two approximately rhombic W5+ centers in KTiOPO4 (KTP) crystal. In the model, both the widely-applied crystal-field (CF) mechanism concerning the interactions of CF excited states with the ground state and the generally-neglected charge-transfer (CT) mechanism concerning the interactions of CT excited states with the ground state are included. The calculated results agree with the experimental values, and the signs of constants Ai are suggested. The calculations indicate that (i) for the high valence state dn ions in crystals, the contributions to spin-Hamiltonian parameters should take into account both the CF and CT mechanisms and (ii) the large g-shifts |Δgi | (=|gi-ge |, where ge≈ 2.0023) for W5+ centers in crystals are due to the large spin-orbit parameter of free W5+ ion.

Highly anisotropic solar-blind UV photodetector based on large-size two-dimensional α-MoO3 atomic crystals

NASA Astrophysics Data System (ADS)

Zhong, Mianzeng; Zhou, Ke; Wei, Zhongming; Li, Yan; Li, Tao; Dong, Huanli; Jiang, Lang; Li, Jingbo; Hu, Wenping

2018-07-01

Orthorhombic MoO3 (α-MoO3) is a typical layered n-type semiconductor with optical band gap over 2.7 eV, which have been widely studied in catalysis, gas sensing, lithium-ion batteries, field-emission, photoelectrical, photochromic and electrochromic devices, supercapacitors and organic solar cells. However, the bottleneck of generation large size atomic thin two-dimensional (2D) α-MoO3 crystals remain challenging this field (normally several micrometers size). Herein, we developed a facile vapor–solid (VS) process for controllable growth of large-size 2D α-MoO3 single crystals with a few nanometers thick and over 300 μm in lateral size. High-performance solar-blind photodetectors were fabricated based on individual 2D α-MoO3 single crystal. The detectors demonstrate outstanding optoelectronic properties under solar-blind UV light (254 nm), with a photoresponsivity of 67.9 A W‑1, external quantum efficiency of 3.3  ×  104%. More important, the devices showed strong in-plane anisotropy in optoelectronic response and transport properties, e.g. the photocurrent along b-axis was found to be 5 times higher than the values along c-axis under 254 nm UV light, and current ON/OFF ratio and mobility anisotropy is about 2 times high. Our work suggests an optimized synthesis routine for 2D crystals, and the great potential of 2D oxides in functional optoelectronics.

Electrical characteristics of organic perylene single-crystal-based field-effect transistors

NASA Astrophysics Data System (ADS)

Lee, Jin-Woo; Kang, Han-Saem; Kim, Min-Ki; Kim, Kihyun; Cho, Mi-Yeon; Kwon, Young-Wan; Joo, Jinsoo; Kim, Jae-Il; Hong, Chang-Seop

2007-12-01

We report on the fabrication of organic field-effect transistors (OFETs) using perylene single crystal as the active material and their electrical characteristics. Perylene single crystals were directly grown from perylene powder in a furnace using a relatively short growth time of 1-3 h. The crystalline structure of the perylene single crystals was characterized by means of a single-crystal x-ray diffractometer. In order to place the perylene single crystal onto the Au electrodes of the field-effect transistor, a polymethlymethacrylate thin layer was spin-coated on top of the crystal surface. The OFETs fabricated using the perylene single crystal showed a typical p-type operating mode. The field-effect mobility of the perylene crystal based OFETs was measured to be ˜9.62×10-4 cm2/V s at room temperature. The anisotropy of the mobility implying the existence of different mobilities when applying currents in different directions was observed for the OFETs, and the existence of traps in the perylene crystal was found through the measurements of the temperature-dependent mobility at various operating drain voltages.

Comparative Study of the Magnetoelectric Effect in HoAl3(BO3)4 and HoGa3(BO3)4 Single Crystals

NASA Astrophysics Data System (ADS)

Freidman, A. L.; Dubrovskii, A. A.; Temerov, V. L.; Gudim, I. A.

2018-03-01

The comparative study of the magnetoelectric properties and magnetostriction of HoGa3(BO3)4 and HoAl3(BO3)4 single crystals has been carried out. The investigated compounds exhibit qualitatively similar magnetodielectric and inverse magnetoelectric ME E effects with the close absolute values, which is indicative of the weak effect of a nonmagnetic metal ion. On the contrary, the magnetostriction of the galloborate has been found to be threefold higher than that of the alumoborate. In addition, the difference between the qualitative behaviors of magnetostriction has been established: the magnetic-field dependence of magnetostriction for the alumoborate has the maximum near 70 kOe at T = 4.2 K, while the galloborate magnetostriction has no maximum and does not saturate in a field of 140 kOe.

Magnetic properties of checkerboard lattice: a Monte Carlo study

NASA Astrophysics Data System (ADS)

Jabar, A.; Masrour, R.; Hamedoun, M.; Benyoussef, A.

2017-12-01

The magnetic properties of ferrimagnetic mixed-spin Ising model in the checkerboard lattice are studied using Monte Carlo simulations. The variation of total magnetization and magnetic susceptibility with the crystal field has been established. We have obtained a transition from an order to a disordered phase in some critical value of the physical variables. The reduced transition temperature is obtained for different exchange interactions. The magnetic hysteresis cycles have been established. The multiples hysteresis cycle in checkerboard lattice are obtained. The multiples hysteresis cycle have been established. The ferrimagnetic mixed-spin Ising model in checkerboard lattice is very interesting from the experimental point of view. The mixed spins system have many technological applications such as in domain opto-electronics, memory, nanomedicine and nano-biological systems. The obtained results show that that crystal field induce long-range spin-spin correlations even bellow the reduced transition temperature.

Higher-order mode photonic crystal based nanofluidic sensor

NASA Astrophysics Data System (ADS)

Peng, Wang; Chen, Youping; Ai, Wu

2017-01-01

A higher-order photonic crystal (PC) based nanofluidic sensor, which worked at 532 nm, was designed and demonstrated. A systematical and detailed method for sculpturing a PC sensor for a given peak wavelength value (PWV) and specified materials was illuminated. It was the first time that the higher order mode was used to design PC based nanofluidic sensor, and the refractive index (RI) sensitivity of this sensor had been verified with FDTD simulation software from Lumerical. The enhanced electrical field of higher order mode structure was mostly confined in the channel area, where the enhance field is wholly interacting with the analytes in the channels. The comparison of RI sensitivity between fundamental mode and higher order mode shows the RI variation of higher order mode is 124.5 nm/RIU which is much larger than the fundamental mode. The proposed PC based nanofluidic structure pioneering a novel style for future optofluidic design.

Electronic and magnetic properties of double perovskite Sr2CoUO6: Heisenberg model

NASA Astrophysics Data System (ADS)

Nid-bahami, A.; Ahmed, S. Sidi; Ait-Tamerd, M.; Zaari, H.; El Kenz, A.; Benyoussef, A.

2018-01-01

This work will be focused on the electronic and magnetic properties of Sr2CoUO6 (SCUO) using ab-initio calculations and Monte Carlo Simulation (MCS). Firstly, we calculate the exchange coupling and the crystal field, then, the electronic and magnetic properties will be studied, using the full-potential linearized augmented plane wave (FP-LAPW) method, as implemented in the Wien2k code. This method employing the generalized gradient approximation (GGA) for exchange-correlation term. The half-metallic ferromagnetic nature implies a potential application of this new compound in spintronics devices. Also, we have presented the results of the band structures and densities of states for the two up and down spin polarizations. The exchange coupling and the crystal field calculated are J = 0 . 567 meV and δ = 0 . 559meV, and total spin magnetic moments is 2.96 μB closed to experimental values 3 μB. Secondly, we have presented the results for the magnetization and the susceptibility as a function of temperature. Finally, we obtain the critical temperature T = 9 . 20 K by MCS in good agreement with the experimental value.

Collection of Ni-bearing material from electroless plating waste by magnetic separation with HTS bulk magnet

NASA Astrophysics Data System (ADS)

Oka, T.; Fukazawa, H.; Fukui, S.; Ogawa, J.; Sato, T.; Ooizumi, M.; Tsujimura, M.; Yokoyama, K.

2014-01-01

The magnetic separation experiment to collect the Ni compounds from the waste liquid of electroless plating processes was conducted in the open-gradient magnetic separation process with the high temperature superconducting bulk magnet system. The magnetic pole containing Gd-based bulk superconductors was activated to 3.45 T at 35 K in the static magnetic field of 5 T with use of a superconducting solenoid magnet. The coarse Ni-sulfate crystals were formed by adding the concentrated sulfuric acid to the Ni-phosphite precipitates which yielded from the plating waste liquid by controlling the temperature and the pH value. The open-gradient magnetic separation technique was employed to separate the Ni-sulfate crystals from the mixture of the Ni-sulfate and Ni-phosphite compounds by the difference between their magnetic properties. And we succeeded in collecting Ni-sulfate crystals preferentially to the Ni-phosphite by attracting them to the magnetic pole soon after the Ni-sulfate crystals began to grow.

Temperature induced phase transformations and negative electrocaloric effect in (Pb,La)(Zr,Sn,Ti)O3 antiferroelectric single crystal

NASA Astrophysics Data System (ADS)

Zhuo, Fangping; Li, Qiang; Yan, Qingfeng; Zhang, Yiling; Wu, Hong-Hui; Xi, Xiaoqing; Chu, Xiangcheng; Cao, Wenwu

2017-10-01

Temperature induced phase transitions and electrocaloric effect (ECE) of (Pb,La)(Zr,Sn,Ti)O3 (PLZST) single crystals have been comprehensively studied. Based on the in situ evolution of domain structures and dielectric properties of the PLZST crystals, the phase transitions during heating are in the sequence of orthorhombic antiferroelectric → rhombohedral ferroelectric → cubic paraelectric. Coexistence of the negative and positive ECEs has been achieved in the PLZST single crystals. A negative ECE value of -1.26 °C and enhanced electrocaloric strength of -0.21 K mm/kV near the Curie temperature have been obtained. A modified Landau model gives a satisfactory description of the experimentally observed unusual ECE. Moreover, a temperature-electric field phase diagram is also established based on theoretical analysis. Our results will help people understand better the electrocaloric family, particularly on the negative and/or positive effect in antiferroelectrics and ferroelectrics.

(K, Na, Li)(Nb, Ta)O3:Mn lead-free single crystal with high piezoelectric properties

PubMed Central

Huo, Xiaoqing; Zhang, Rui; Zheng, Limei; Zhang, Shujun; Wang, Rui; Wang, Junjun; Sang, Shijing; Yang, Bin; Cao, Wenwu

2016-01-01

Lead-free single crystal, (K, Na, Li)(Nb, Ta)O3:Mn, was successfully grown using top-seeded solution growth method. Complete matrix of dielectric, piezoelectric and elastic constants for [001]C poled single crystal was determined. The piezoelectric coefficient d33 measured by the resonance method was 545 pC/N, which is almost three times that of its ceramic counterpart. The values measured by the Berlincourt meter ( d33∗=630pC/N) and strain-field curve ( d33∗∗=870pm/V) were even higher. The differences were assumed to relate with the different extrinsic contributions of domain wall vibration and domain wall translation during the measurements by different approaches, where the intrinsic contribution (on the order of 539 pm/V) was supposed to be the same. The crystal has ultrahigh electromechanical coupling factor (k33 ~ 95%) and high ultrasound velocity, which make it promising for high frequency medical transducer applications. PMID:27594704

Influence of phonon-phonon coupling on superconducting state in honeycomb-type crystal lattice

NASA Astrophysics Data System (ADS)

Drzazga, E. A.; Szczȩśniak, R.; Domagalska, I. A.

2018-01-01

We have taken into account the superconducting state inducing in the crystal lattice of the honeycomb-type. In the framework of the Eliashberg theory, we have determined the thermodynamic properties of the system. The phonon spectral function, which is the input parameter in the Eliashberg equations, has been calculated by using the thermodynamic Green functions. We have considered the model of the coupled Einstein oscillators with frequency ω0 = 100 meV. We have shown that the increasing inter-phonon coupling constant (f) causes the rapid growth of the critical temperature ([TC]max = 36.2 K) just below the maximum value of f equal to 0.25ω0. Simultaneously, the order parameter and the thermodynamic critical field take the values increasingly distant from the predictions of the BCS theory, which results from the strong-coupling and the retardation effects.

Novel crystal timing calibration method based on total variation

NASA Astrophysics Data System (ADS)

Yu, Xingjian; Isobe, Takashi; Watanabe, Mitsuo; Liu, Huafeng

2016-11-01

A novel crystal timing calibration method based on total variation (TV), abbreviated as ‘TV merge’, has been developed for a high-resolution positron emission tomography (PET) system. The proposed method was developed for a system with a large number of crystals, it can provide timing calibration at the crystal level. In the proposed method, the timing calibration process was formulated as a linear problem. To robustly optimize the timing resolution, a TV constraint was added to the linear equation. Moreover, to solve the computer memory problem associated with the calculation of the timing calibration factors for systems with a large number of crystals, the merge component was used for obtaining the crystal level timing calibration values. Compared with other conventional methods, the data measured from a standard cylindrical phantom filled with a radioisotope solution was sufficient for performing a high-precision crystal-level timing calibration. In this paper, both simulation and experimental studies were performed to demonstrate the effectiveness and robustness of the TV merge method. We compare the timing resolutions of a 22Na point source, which was located in the field of view (FOV) of the brain PET system, with various calibration techniques. After implementing the TV merge method, the timing resolution improved from 3.34 ns at full width at half maximum (FWHM) to 2.31 ns FWHM.

Using Magnetic Fields to Control Convection during Protein Crystallization: Analysis and Validation Studies

NASA Technical Reports Server (NTRS)

Ramachandran, N.; Leslie, F. W.

2004-01-01

The effect of convection during the crystallization of proteins is not very well understood. In a gravitational field, convection is caused by crystal sedimentation and by solutal buoyancy induced flow and these can lead to crystal imperfections. While crystallization in microgravity can approach diffusion limited growth conditions (no convection), terrestrially strong magnetic fields can be used to control fluid flow and sedimentation effects. In this work, we develop the analysis for magnetic flow control and test the predictions using analog experiments. Specifically, experiments on solutal convection in a paramagnetic fluid were conducted in a strong magnetic field gradient using a dilute solution of Manganese Chloride. The observed flows indicate that the magnetic field can completely counter the settling effects of gravity locally and are consistent with the theoretical predictions presented. This phenomenon suggests that magnetic fields may be useful in mimicking the microgravity environment of space for some crystal growth ana biological applications where fluid convection is undesirable.

Self-Aligned Growth of Organic Semiconductor Single Crystals by Electric Field.

PubMed

Kotsuki, Kenji; Obata, Seiji; Saiki, Koichiro

2016-01-19

We proposed a novel but facile method for growing organic semiconductor single-crystals via solvent vapor annealing (SVA) under electric field. In the conventional SVA growth process, nuclei of crystals appeared anywhere on the substrate and their crystallographic axes were randomly distributed. We applied electric field during the SVA growth of 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C8-BTBT) on the SiO2/Si substrate on which a pair of electrodes had been deposited beforehand. Real-time observation of the SVA process revealed that rodlike single crystals grew with their long axes parallel to the electric field and bridged the prepatterned electrodes. As a result, C8-BTBT crystals automatically formed a field effect transistor (FET) structure and the mobility reached 1.9 cm(2)/(V s). Electric-field-assisted SVA proved a promising method for constructing high-mobility single-crystal FETs at the desired position by a low-cost solution process.

Interplay between spin-orbit coupling and crystal-field effect in topological insulators

NASA Astrophysics Data System (ADS)

Lee, Hyungjun; Yazyev, Oleg V.

2015-07-01

Band inversion, one of the key signatures of time-reversal invariant topological insulators (TIs), arises mostly due to the spin-orbit (SO) coupling. Here, based on ab initio density-functional calculations, we report a theoretical investigation of the SO-driven band inversion in isostructural bismuth and antimony chalcogenide TIs from the viewpoint of its interplay with the crystal-field effect. We calculate the SO-induced energy shift of states in the top valence and bottom conduction manifolds and reproduce this behavior using a simple one-atom model adjusted to incorporate the crystal-field effect. The crystal-field splitting is shown to compete with the SO coupling, that is, stronger crystal-field splitting leads to weaker SO band shift. We further show how both these effects can be controlled by changing the chemical composition, whereas the crystal-field splitting can be tuned by means of uniaxial strain. These results provide a practical guidance to the rational design of novel TIs as well as to controlling the properties of existing materials.

The influence of a magnetic field on the microhardness of K, Rb, Cs, NH{sub 4}, and Tl acid phthalate crystals

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

Koldaeva, M. V., E-mail: mkoldaeva@ns.crys.ras.ru; Turskaya, T. N.; Zakalyukin, R. M.

2009-11-15

The influence of a magnetic field on the microhardness of potassium acid phthalate has been studied for different magnetic inductions, exposure times, sample orientations in a magnetic field, and impurity compositions of the crystals. It was shown that the magnetic field effect is multiply repeated on the (010) face after relaxation. The influence of magnetic treatment on ammonium, rubidium, thallium, and cesium acid phthalate crystals is analyzed. The reasons for the observed changes in the crystal microhardness in the magnetic field are discussed.

Cholesteric-nematic transitions induced by a shear flow and a magnetic field

NASA Astrophysics Data System (ADS)

Zakhlevnykh, A. N.; Makarov, D. V.; Novikov, A. A.

2017-10-01

The untwisting of the helical structure of a cholesteric liquid crystal under the action of a magnetic field and a shear flow has been studied theoretically. Both factors can induce the cholesteric-nematic transition independently; however, the difference in the orienting actions of the magnetic field and the shear flow leads to competition between magnetic and hydrodynamic mechanisms of influence on the cholesteric liquid crystal. We have analyzed different orientations of the magnetic field relative to the direction of the flow in the shear plane. In a number of limiting cases, the analytic dependences are obtained for the pitch of the cholesteric helix deformed by the shear flow. The phase diagrams of the cholesteric-nematic transitions and the pitch of the cholesteric helix are calculated for different values of the magnetic field strength and the angle of orientation, the flow velocity gradient, and the reactive parameter. It is shown that the magnetic field stabilizes the orientation of the director in the shear flow and expands the boundaries of orientability of cholesterics. It has been established that the shear flow shifts the critical magnetic field strength of the transition. It is shown that a sequence of reentrant orientational cholesteric-nematic-cholesteric transitions can be induced by rotating the magnetic field in certain intervals of its strength and shear flow velocity gradients.

Electronic and magnetic properties of quasi-skutterudite PrCo2Ga8 compound

NASA Astrophysics Data System (ADS)

Ogunbunmi, Michael O.; Sondezi, Buyisiwe M.; Nair, Harikrishnan S.; Strydom, André M.

2018-05-01

PrCo2Ga8 is an orthorhombic quasi-skutterudite type compound which crystallizes in the CaCo2Al8 structure type, with space group Pbam (No. 55). The Pr3+ ion has a site symmetry of Cs which predicts a crystal electric field (CEF) level splitting into 9 singlets for J = 4. However, a phase transition at Tm = 1.28 K is observed in electrical resistivity and specific heat results and is reported in this paper. The electrical resistivity shows an upturn below Tm due to the superzone-gap formation. This transition is tuneable in fields and is suppressed to lower temperatures with applied magnetic fields. The electronic specific heat Cp(T) / T increases below Tm and reaches a value of 7.37 J/(mol K2) at 0.4 K. The Sommerfeld coefficient, γ extracted from the low temperature analysis of C4f(T) / T is 637 mJ/(mol K2) indicating a possible mass enhancement of the quasiparticles. The calculated entropy value of 3.05 J/(mol K) is recovered around Tm exhibiting almost 53% of Rln2, where R is the universal gas constant. Magnetic susceptibility results obeys the Curie-Weiss law for data above 100 K with an estimated effective magnetic moment, μeff = 3.37 μB/Pr and Weiss temperature, θp = -124 K.

Giant Magnetoelectric Energy Conversion Utilizing Inter-Ferroelectric Phase Transformations in Ferroics

NASA Astrophysics Data System (ADS)

Finkel, Peter; Staruch, Margo

Phase transition-based electromechanical transduction permits achieving a non-resonant broadband mechanical energy conversion see (Finkel et al Actuators, 5 [1] 2. (2015)) , the idea is based on generation high energy density per cycle , at least 100x of magnitude larger than linear piezoelectric type generators in stress biased [011]cut relaxor ferroelectric Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3 (PIN-PMN-PT) single crystal can generate reversible strain >0.35% at remarkably low fields (0.1 MV/m) for tens of millions of cycles. Recently we demonstrated that large strain and polarization rotation can be generated for over 40 x 106cycles with little fatigue by realization of reversible ferroelectric-ferroelectric phase transition in [011] cut PIN-PMN-PT relaxor ferroelectric single crystal while sweeping through the transition with a low applied electric field <0.18 MV/m under mechanical stress. This methodology was extended in the present work to propose magnetoelectric (ME) composite hybrid system comprised of highly magnetostrictive alloymFe81.4Ga18.6 (Galfenol), and lead indium niobate-lead magnesium niobate-lead titanate (PIN-PMN-PT) domain engineered relaxor ferroelectric single crystal. A small time-varying magnetic field applied to this system causes the magnetostrictive element to expand, and the resulting stress forces the phase change in the relaxor ferroelectric single crystal. ME coupling coefficient was fond to achieve 80 V/cm Oe near the FR-FO phase transition that is at least 100X of magnitude higher than any currently reported values.

Ising versus XY anisotropy in frustrated R(2)Ti(2)O(7) compounds as "Seen" by Polarized Neutrons.

PubMed

Cao, H; Gukasov, A; Mirebeau, I; Bonville, P; Decorse, C; Dhalenne, G

2009-07-31

We studied the field induced magnetic order in R(2)Ti(2)O(7) pyrochlore compounds with either uniaxial (R=Ho, Tb) or planar (R=Er, Yb) anisotropy, by polarized neutron diffraction. The determination of the local susceptibility tensor {chi(parallel to),chi(perpendicular)} provides a universal description of the field induced structures in the paramagnetic phase (2-270 K), whatever the field value (1-7 T) and direction. Comparison of the thermal variations of chi(parallel to) and chi(perpendicular) with calculations using the rare earth crystal field shows that exchange and dipolar interactions must be taken into account. We determine the molecular field tensor in each case and show that it can be strongly anisotropic.

Strongly coupled colloidal plasmas

NASA Astrophysics Data System (ADS)

Thomas, Hubertus M.; Morfill, Gregor E.; Konopka, Uwe; Rothermel, Hermann; Zuzic, Milenko

1998-11-01

The research of strongly coupled effects in colloidal plasmas started a few years ago with the discovery of the Coulomb crystallization of micron-sized particles in a plasma. The particles are charged negatively to a few thousands of electron charges due to the flux of electrons and ions from the plasma and then react via their Coulomb-potentials. The Coulomb coupling parameter Γ - which is the ratio of the Coulomb energy between two neighboring particles to their thermal energy - could be much larger than the critical value of 172 (calculated for an one-component-plasma). That means that Coulomb-crystallization can be achieved easily. Such systems, which reach equilibrium very rapidly and can be easily tuned between their ordered and disordered states, are ideally suited for investigating the processes underlying the solid-to-liquid phase transition. Furthermore, the strongly coupled collidal plasma can be excited externally and the response can be studied in great detail dynamically. Gravity plays an important role for the production and stability of plasma crystals. In laboratory plasmas gravity has to be balanced out by the electrostatic field in the sheath of the electrodes of the experimental apparatus. Thus, in the vertical direction only monolayer crystals or crystals with a few lattice layers can be formed. This restricts the analysis to processes in 2-dimensional or ``2 1/2-dimensional'' crystals (e.g. the physics of monolayers, nano-crystals or grain boundaries). Under zero gravity larger (volume) systems are possible and the field of plasma crystal research can be extended to include the physics of 3-dimensional systems. We performed the worldwide first experiments under zero-g conditions on parabolic flights and two sounding rockets. During these experiments the behaviour of dust particles in a rf-discharge under zero-g conditions was investigated. Very interesting experiments were performed, which are possible only under low gravity conditions.

Application of the windowed-Fourier-transform-based fringe analysis technique for investigating temperature and concentration fields in fluids.

PubMed

Mohanan, Sharika; Srivastava, Atul

2014-04-10

The present work is concerned with the development and application of a novel fringe analysis technique based on the principles of the windowed-Fourier-transform (WFT) for the determination of temperature and concentration fields from interferometric images for a range of heat and mass transfer applications. Based on the extent of the noise level associated with the experimental data, the technique has been coupled with two different phase unwrapping methods: the Itoh algorithm and the quality guided phase unwrapping technique for phase extraction. In order to generate the experimental data, a range of experiments have been carried out which include cooling of a vertical flat plate in free convection conditions, combustion of mono-propellant flames, and growth of organic as well as inorganic crystals from their aqueous solutions. The flat plate and combustion experiments are modeled as heat transfer applications wherein the interest is to determine the whole-field temperature distribution. Aqueous-solution-based crystal growth experiments are performed to simulate the mass transfer phenomena and the interest is to determine the two-dimensional solute concentration field around the growing crystal. A Mach-Zehnder interferometer has been employed to record the path-integrated quantity of interest (temperature and/or concentration) in the form of interferometric images in the experiments. The potential of the WFT method has also been demonstrated on numerically simulated phase data for varying noise levels, and the accuracy in phase extraction have been quantified in terms of the root mean square errors. Three levels of noise, i.e., 0%, 10%, and 20% have been considered. Results of the present study show that the WFT technique allows an accurate extraction of phase values that can subsequently be converted into two-dimensional temperature and/or concentration distribution fields. Moreover, since WFT is a local processing technique, speckle patterns and the inherent noise in the interferometric data do not affect the resultant phase values. Brief comparisons of the accuracy of the WFT with other standard techniques such as conventional Fourier-filtering methods are also presented.

Spin and orbital magnetic moment anisotropies of monodispersed bis(phthalocyaninato)terbium on a copper surface.

PubMed

Stepanow, Sebastian; Honolka, Jan; Gambardella, Pietro; Vitali, Lucia; Abdurakhmanova, Nasiba; Tseng, Tzu-Chun; Rauschenbach, Stephan; Tait, Steven L; Sessi, Violetta; Klyatskaya, Svetlana; Ruben, Mario; Kern, Klaus

2010-09-01

The magnetic properties of isolated TbPc(2) molecules supported on a Cu(100) surface are investigated by X-ray magnetic circular dichroism at 8 K in magnetic fields up to 5 T. The crystal field and magnetic properties of single molecules are found to be robust upon adsorption on a metal substrate. The Tb magnetic moment has Ising-like magnetization; XMCD spectra combined with multiplet calculations show that the saturation orbital and spin magnetic moment values reach 3 and 6 mu(B), respectively.

In-situ Optical Waveguides for Monitoring and Modifying Protein Crystal Growth

NASA Technical Reports Server (NTRS)

Gibson, Ursula; Osterberg, Ulf

2004-01-01

The use of electric fields in the growth of protein crystals was investigated, both theoretically and experimentally. We used dc, ac and optical fields to change the spatial distribution of proteins. Dc fields had only local effects, due to the conductivity of the growth solution. We found that for low frequency fields, movement of the buffer and salt ions dominated, and that for high frequency ac fields, &electrophoretic effects could be useful for relocating growing protein crystals. The most promising result was that for optical fields, a large gradient in the field could be used to capture a crystal, and observe growth in-situ. This concept could be developed into an experimental setup compatible with automated x-ray diffraction measurements in microgravity.

Electric-field-induced motion of colloid particles in smectic liquid crystals

NASA Astrophysics Data System (ADS)

Jakli, Antal

2005-03-01

We present the first observations of DC electric-field-induced rotational and translational motion of finite particles in liquid crystals. The electro-rotation is basically identical to the well known Quincke rotation, which triggers the translational motion at higher fields. From the electric field dependence of the angular velocity of the rotation we obtain the viscosity of the liquid crystals. The analysis of the translational motion in smectic liquid crystals indicates elastic responses near the threshold for translation. At increasing fields the speed of the particles is increasing and at sufficiently high speeds the flow of the smectic A and smectic C liquid crystal around the beads become purely viscous. Colloid particles in smectic materials maybe considered as model systems for understanding motion of proteins in cell membranes.

Realization of all-optical switch and diode via Raman gain process using a Kerr field

NASA Astrophysics Data System (ADS)

Abbas, Muqaddar; Qamar, Sajid; Qamar, Shahid

2016-08-01

The idea of optical photonic crystal, which is generated using two counter-propagating fields, is revisited to study gain-assisted all-optical switch and diode using Kerr field. Two counter-propagating fields with relative detuning Δ ν generate standing-wave field pattern which interacts with a four-level atomic system. The standing-wave field pattern acts like a static photonic crystal for Δ ν =0 , however, it behaves as a moving photonic crystal for Δ ν \

Phase-resolved pulse propagation through metallic photonic crystal slabs: plasmonic slow light

NASA Astrophysics Data System (ADS)

Schönhardt, Anja; Nau, Dietmar; Bauer, Christina; Christ, André; Gräbeldinger, Hedi; Giessen, Harald

2017-03-01

We characterized the electromagnetic field of ultra-short laser pulses after propagation through metallic photonic crystal structures featuring photonic and plasmonic resonances. The complete pulse information, i.e. the envelope and phase of the electromagnetic field, was measured using the technique of cross-correlation frequency resolved optical gating. In good agreement, measurements and scattering matrix simulations show a dispersive behaviour of the spectral phase at the position of the resonances. Asymmetric Fano-type resonances go along with asymmetric phase characteristics. Furthermore, the spectral phase is used to calculate the dispersion of the sample and possible applications in dispersion compensation are investigated. Group refractive indices of 700 and 70 and group delay dispersion values of 90 000 fs2 and 5000 fs2 are achieved in transverse electric and transverse magnetic polarization, respectively. The behaviour of extinction and spectral phase can be understood from an intuitive model using the complex transmission amplitude. An associated depiction in the complex plane is a useful approach in this context. This method promises to be valuable also in photonic crystal and filter design, for example, with regards to the symmetrization of the resonances. This article is part of the themed issue 'New horizons for nanophotonics'.

Radial segregation induced by natural convection and melt/solid interface shape in vertical Bridgman growth

NASA Technical Reports Server (NTRS)

Chang, C. J.; Brown, R. A.

1983-01-01

The roles of natural convection in the melt and the shape of the melt/solid interface on radial dopant segregation are analyzed for a prototype of vertical Bridgman crystal growth system by finite element methods that solve simultaneously for the velocity field in the melt, the shape of the solidification isotherm, and the temperature distribution in both phases. Results are presented for crystal and melt with thermophysical properties similar to those of gallium-doped germanium in Bridgman configurations with melt below (thermally destabilizing) and above (stabilizing) the crystal. Steady axisymmetric flow are classified according to Rayleigh number as either being nearly the growth velocity, having a weak cellular structure or having large amplitude cellular convention. The flows in the two Bridgman configurations are driven by different temperature gradients and are in opposite directions. Finite element calculations for the transport of a dilute dopant by these flow fields reveal radial segregation levels as large as sixty percent of the mean concentration. Segregation is found most severe at an intermediate value of Rayleigh number above which the dopant distribution along the interface levels as the intensity of the flow increases.

CRYSTAL: The Cirrus Regional Study of Tropical Anvils and Layers

NASA Technical Reports Server (NTRS)

Delnore, Victor E.; Cox, Stephen K.; Curran, Robert J.

1999-01-01

CRYSTAL the Cirrus Regional Study of Tropical Anvils and Layers is part of the ongoing series of field experiments to study clouds and their impact on world weather and climate, and will attempt to improve the application of cloud effects in global climate models. CRYSTAL is being planned as two parts: a limited CRYSTAL field campaign in 2001 to examine towering clouds and anvil genesis over the Everglades of Florida, and the main CRYSTAL field campaign in the summer of 2003 in the Tropical Western Pacific. The latter is timed to take advantage of several cloud measurement satellites that will be operational at that time. This paper discusses some of the issues to be addressed in CRYSTAL, gives a brief description of the research plan, and describes its relationship to other important field experiments.

Harmonic field in knotted space

NASA Astrophysics Data System (ADS)

Duan, Xiuqing; Yao, Zhenwei

2018-04-01

Knotted fields enrich a variety of physical phenomena, ranging from fluid flows, electromagnetic fields, to textures of ordered media. Maxwell's electrostatic equations, whose vacuum solution is mathematically known as a harmonic field, provide an ideal setting to explore the role of domain topology in determining physical fields in confined space. In this work, we show the uniqueness of a harmonic field in knotted tubes, and reduce the construction of a harmonic field to a Neumann boundary value problem. By analyzing the harmonic field in typical knotted tubes, we identify the torsion driven transition from bipolar to vortex patterns. We also analogously extend our discussion to the organization of liquid crystal textures in knotted tubes. These results further our understanding about the general role of topology in shaping a physical field in confined space, and may find applications in the control of physical fields by manipulation of surface topology.

Thermoelectric Properties of n-type SnSe Single Crystal

NASA Astrophysics Data System (ADS)

Nguyen, Phuong; Duong, Anh Tuan; Rhim, S. H.; Nguyen, Van Quang; Duong, Van Thiet; Shin, Yooleemi; Cho, Sunglae; Kwon, Suyong; Song, Jae Yong; Park, Hyun Min

Although thermoelectric materials are well known for their reliability and have been used for many years, even in the field of space engineering, their performance is quite small due to low energy conversion efficiency. Dimensionless figure of merit, ZT = S2. σ.T.κ-1 (where S, σ, T, κ are Seebeck coefficient, electrical conductivity, absolute temperature and thermal conductivity, respectively) is conveniently used to evaluate the conversion efficiency of a thermoelectric materials. Recently, the highest value of ZT to date has been reported for single crystal SnSe, ZT = 2.6 along the b axis of unit cell at 923 K. This temperature is rather high and the range of temperature for high reported ZT is quite narrow. Here we report an attempt to modify the thermoelectric properties of SnSe by using group V and VII as n-type dopant. A negative value of Seebeck coefficient was observed and the power factor reached a peak of 10 μW.K-2.cm-1 at around 600 K. The maximum n-type ZT was 0.57 at 650 K. We will discuss on dopant dependent thermoelectric properties of n-type SnSe single crystals.

Luminescence properties and scintillation response in Ce3+-doped Y2Gd1Al5-xGaxO12 (x = 2, 3, 4) single crystals

NASA Astrophysics Data System (ADS)

Chewpraditkul, Warut; Pánek, Dalibor; Brůža, Petr; Chewpraditkul, Weerapong; Wanarak, Chalerm; Pattanaboonmee, Nakarin; Babin, Vladimir; Bartosiewicz, Karol; Kamada, Kei; Yoshikawa, Akira; Nikl, Martin

2014-08-01

The compositional dependence of luminescence properties and scintillation response were investigated in Ce3+-doped Y2Gd1Al5-xGaxO12 (x = 2, 3, 4) single crystals. The Gd3+ → Ce3+ energy transfer was evidenced by photoluminescence excitation spectra of Ce3+ emission. With increasing Ga content in the garnet host, the Ce3+ luminescence from the lowest 5d level (5d1) is shifted toward higher energy due to the decrease in the crystal field splitting of the 5d levels. Light yield (LY) and its dependence on the amplifier shaping time were measured under excitation with γ-rays. High LY value of ˜38 000 ph/MeV was obtained for a Y2Gd1Al3Ga2O12:Ce sample. Scintillation decay was measured with an extended dynamical and temporal scale under the nanosecond pulse soft X-ray excitation. The decrease of both LY value and relative contribution of slower decay component in the scintillation response was observed with increasing Ga content in the garnet host.

Effect of Partial Crystallization on the Structural and Luminescence Properties of Er3+-Doped Phosphate Glasses

PubMed Central

Lopez-Iscoa, Pablo; Salminen, Turkka; Hakkarainen, Teemu; Petit, Laeticia; Janner, Davide; Boetti, Nadia G.; Lastusaari, Mika; Pugliese, Diego; Paturi, Petriina; Milanese, Daniel

2017-01-01

Er-doped phosphate glass ceramics were fabricated by melt-quenching technique followed by a heat treatment. The effect of the crystallization on the structural and luminescence properties of phosphate glasses containing Al2O3, TiO2, and ZnO was investigated. The morphological and structural properties of the glass ceramics were characterized by Field Emission-Scanning Electron Microscopy (FE-SEM), X-ray Diffraction (XRD), and micro-Raman spectroscopy. Additionally, the luminescence spectra and the lifetime values were measured in order to study the influence of the crystallization on the spectroscopic properties of the glasses. The volume ratio between the crystal and the glassy phases increased along with the duration of the heat treatment. The crystallization of the glass ceramics was confirmed by the presence of sharp peaks in the XRD patterns and different crystal phases were identified depending on the glass composition. Sr(PO3)2 crystals were found to precipitate in all the investigated glasses. As evidenced by the spectroscopic properties, the site of the Er3+ ions was not strongly affected by the heat treatment except for the fully crystallized glass ceramic which does not contain Al2O3, TiO2, and ZnO. An increase of the lifetime was also observed after the heat treatment of this glass. Therefore, we suspect that the Er3+ ions are incorporated in the precipitated crystals only in this glass ceramic. PMID:28772833

Optics of short-pitch deformed-helix ferroelectric liquid crystals: Symmetries, exceptional points, and polarization-resolved angular patterns

NASA Astrophysics Data System (ADS)

Kiselev, Alexei D.; Chigrinov, Vladimir G.

2014-10-01

In order to explore electric-field-induced transformations of polarization singularities in the polarization-resolved angular (conoscopic) patterns emerging after deformed-helix ferroelectric liquid crystal (DHFLC) cells with subwavelength helix pitch, we combine the transfer matrix formalism with the results for the effective dielectric tensor of biaxial FLCs evaluated using an improved technique of averaging over distorted helical structures. Within the framework of the transfer matrix method, we deduce a number of symmetry relations and show that the symmetry axis of L lines (curves of linear polarization) is directed along the major in-plane optical axis which rotates under the action of the electric field. When the angle between this axis and the polarization plane of incident linearly polarized light is above its critical value, the C points (points of circular polarization) appear in the form of symmetrically arranged chains of densely packed star-monstar pairs. We also emphasize the role of phase singularities of a different kind and discuss the enhanced electro-optic response of DHFLCs near the exceptional point where the condition of zero-field isotropy is fulfilled.

Screened dipolar interactions in some molecular crystals

NASA Astrophysics Data System (ADS)

Munn, R. W.; Hurst, M.

1990-10-01

Screened dipole energies and dipole electric fields are calculated for the crystals of HCN, meta- and para-nitroaniline, the nonlinear optical compounds POM, MAP and DAN, meta-dinitrobenzene, and acetanilide. Only para-nitroaniline is centrosymmetric, but all the crystals have significant negative dipole energies (of the order of -20 kJ mol -1) except for POM and metadinitrobenzene, where they are positive but small in magnitude. Local dipole fields are of the order of 10 GV m -1. The results assume that surface charge annuls any macroscopic dipole field. It is speculated that the observed preponderance of centrosymmetric crystals of polar molecules may reflect a favourable dipole energy in the initial crystal nucleus rather than the macroscopic crystal.

Room temperature ferromagnetism in Fe-doped semiconductor ZrS2 single crystals

NASA Astrophysics Data System (ADS)

Muhammad, Zahir; Lv, Haifeng; Wu, Chuanqiang; Habib, Muhammad; Rehman, Zia ur; Khan, Rashid; Chen, Shuangming; Wu, Xiaojun; Song, Li

2018-04-01

Two dimensional (2D) layered magnetic materials have obtained much attention due to their intriguing properties with a potential application in the field of spintronics. Herein, room-temperature ferromagnetism with 0.2 emu g‑1 magnetic moment is realized in Fe-doped ZrS2 single crystals of millimeter size, in comparison with diamagnetic behaviour in ZrS2. The electron paramagnetic resonance spectroscopy reveals that 5.2wt% Fe-doping ZrS2 crystal exhibit high spin value of g-factor about 3.57 at room temperature also confirmed this evidence, due to the unpaired electrons created by doped Fe atoms. First principle static electronic and magnetic calculations further confirm the increased stability of long range ferromagnetic ordering and enhanced magnetic moment in Fe-doped ZrS2, originating from the Fe spin polarized electron near the Fermi level.

Solution to the Phase Problem Using Multibeam X-Ray Diffraction.

NASA Astrophysics Data System (ADS)

Shen, Qun

Multi-beam x-ray diffraction, especially the asymmetry effect in the virtual Bragg scattering case, has been proved to provide useful phase information on the structure factors that are involved in the scattering process. A perturbation theory has been developed to provide an analytical expression for the diffracted wave field in virtual Bragg scattering situations, which explains the physical origin of the asymmetry effect. Two experiments on the (202) reflection of benzil, using 3.5 keV x-rays, have shown that the asymmetry effect is visible in a mosaic non-centrosymmetric organic crystal. The results do not depend on the shape of the crystal, hence proving that the method is universally applicable. A practical method to obtain arbitrary values of the phase triplet, based on the perturbation theory, has been developed and shown to work in the case of non-centrosymmetric crystals like benzil.

Asymptotic Analysis of Melt Growth for Antimonide-Based Compound Semiconductor Crystals in Magnetic and Electric Fields

DTIC Science & Technology

2006-10-01

F. Bliss, Gerald W. Iseler and Piotr Becla, "Combining static and rotating magnetic fields during modified vertical Bridgman crystal growth ," AIAA...Wang and Nancy Ma, "Semiconductor crystal growth by the vertical Bridgman process with rotating magnetic fields," ASME Journal of Heat Transfer...2005. 15. Stephen J. LaPointe, Nancy Ma and Donald W. Mueller, Jr., " Growth of binary alloyed semiconductor crystals by the vertical Bridgman

Crystal structure and magnetic properties of Mn substituted ludwigite Co 3O 2BO 3

NASA Astrophysics Data System (ADS)

Knyazev, Yu. V.; Ivanova, N. B.; Kazak, N. V.; Platunov, M. S.; Bezmaternykh, L. N.; Velikanov, D. А.; Vasiliev, А. D.; Ovchinnikov, S. G.; Yurkin, G. Yu.

2012-03-01

The needle shape single crystals Co3-x MnxO2BO3 with ludwigite structure have been prepared. According to the X-ray diffraction data the preferable character of distinct crystallographic positions occupation by Mn ions is established. Magnetization field and temperature dependencies are measured. Paramagnetic Curie temperature value Θ=-100 K points out the predominance of antiferromagnetic interactions. Spin-glass magnetic ordering takes the onset at TN=41 K. The crystallographic and magnetic properties of Co3O2BO3:Mn are compared with the same for the isostructural analogs Co3O2BO3 and CoO2BO3:Fe.

Periodically poled potassium niobate for second-harmonic generation at 463 nm.

PubMed

Meyn, J P; Klein, M E; Woll, D; Wallenstein, R; Rytz, D

1999-08-15

We report on the fabrication and characterization of quasi-phase-matched potassium niobate crystals for second-harmonic generation. Periodic 30-mum -pitch antiparallel ferroelectric domains are fabricated by means of poling in an electrical field. Both birefrigence and periodic phase shift of the generated second harmonic contribute to phase matching when the d(31) nonlinear optical tensor element is used. 3.8 mW of second-harmonic radiation at 463 nm is generated by frequency doubling of the output of master-oscillator power-amplifier diode laser in a 5-mm-long crystal. The measured effective nonlinear coefficient is 3.7pm/V. The measured spectral acceptance bandwidth of 0.25 nm corresponds to the theoretical value.

A new petrological and geophysical investigation of the present-day plumbing system of Mount Vesuvius

NASA Astrophysics Data System (ADS)

Pommier, A.; Tarits, P.; Hautot, S.; Pichavant, M.; Scaillet, B.; Gaillard, F.

2010-07-01

A model of the electrical resistivity of Mt. Vesuvius has been elaborated to investigate the present structure of the volcanic edifice. The model is based on electrical conductivity measurements in the laboratory, on geophysical information, in particular, magnetotelluric (MT) data, and on petrological and geochemical constraints. Both 1-D and 3-D simulations explored the effect of depth, volume and resistivity of either one or two reservoirs in the structure. For each configuration tested, modeled MT transfer functions were compared to field transfer functions from field magnetotelluric studies. The field electrical data are reproduced with a shallow and very conductive layer (˜0.5 km depth, 1.2 km thick, 5 ohm.m resistive) that most likely corresponds to a saline brine present beneath the volcano. Our results are also compatible with the presence of cooling magma batches at shallow depths (<3-4 km depth). The presence of a deeper body at ˜8 km depth, as suggested by seismic studies, is consistent with the observed field transfer functions if such a body has an electrical resistivity > ˜100 ohm.m. According to a petro-physical conductivity model, such a resistivity value is in agreement either with a low-temperature, crystal-rich magma chamber or with a small quantity of hotter magma interconnected in the resistive surrounding carbonates. However, the low quality of MT field data at long periods prevent from placing strong constraints on a potential deep magma reservoir. A comparison with seismic velocity values tends to support the second hypothesis. Our findings would be consistent with a deep structure (8-10 km depth) made of a tephriphonolitic magma at 1000°C, containing 3.5 wt%H2O, 30 vol.% crystals, and interconnected in carbonates in proportions ˜45% melt -55% carbonates.

Upper critical fields in Ba2Ti2Fe2As4O single crystals: Evidence for dominant Pauli paramagnetic effect

NASA Astrophysics Data System (ADS)

Abdel-Hafiez, M.; Brisbois, J.; Zhu, Z.; Adamski, A.; Hassen, A.; Vasiliev, A. N.; Silhanek, A. V.; Krellner, C.

2018-03-01

We report on magneto-optical imaging and the temperature dependency of the upper critical fields Hc2 c(T ) parallel to the c axis and Hc2 a b(T ) parallel to the a b plane in Ba2Ti2Fe2As4O single crystals. These data were inferred from the measurements of the temperature-dependent resistance in static magnetic fields up to 14 T and magnetoresistance in pulsed fields up to 60 T. Hc 2 values are found to be 52 and 50 T for H ∥a b and H ∥c , respectively. These values are 1.2-1.35 times larger than the weak-coupling Pauli paramagnetic limit (Hp˜1.84 Tc ), indicating that enhanced paramagnetic limiting is essential and this superconductor is unconventional. Our observations of strong bending in the Hc2 a b(T ) curves and a nearly isotropic maximum upper critical field Hc2 a b(0 ) ≈Hc2 c(0 ) support the presence of a strong Pauli paramagnetic effect. We show that the Werthamer-Helfand-Hohenberg (WHH) formula that includes the spin-orbit scattering can effectively describe the Hc2 a b(T ) curve, whereas Hc 2 deviates from the conventional WHH theoretical model without considering the spin paramagnetic effect for the H ∥c and H ∥a b directions. For H ∥c , a two-band model is required to fully reproduce the behavior of Hc 2, while for H ∥a b the spin paramagnetic effect is responsible for the behavior of Hc 2. The anisotropy of Hc 2 is close to 3 near Tc and decreases rapidly at lower temperatures.

Anomalous reduction in the long-time flux creep relaxation in superconducting Ca10(Pt4As8)((Fe1‑x Pt x )2As2)5 (x ≈ 0.05) single crystals

NASA Astrophysics Data System (ADS)

Haberkorn, N.; Huang, Silu; Jin, R.

2018-06-01

We report the vortex dynamics of superconducting a Ca10(Pt4As8)((Fe1‑x Pt x )2As2)5 (x ≈ 0.05) single crystal with T c = 26 K investigated by performing magnetic measurements. The field dependence of the magnetization displays a second peak (SPM), typically related to a crossover between elastic and plastic vortex relaxation in a weak pinning scenario. Long-time flux creep relaxation measurements for fields smaller that of the SPM show that the vortex dynamics can be separated in two different regions. For magnetic fields smaller than the lower end of the SPM, glassy relaxation (with a characteristic glassy exponent μ) is observed. For magnetic fields between the lower end and the SPM, the flux creep rate decreases systematically to values below to the ones predicted by the collective theory. This effect can be understood by considering a stable vortex lattice configuration. As the field position of the SPM can be adjusted by modifying the quenched potential, our results suggest that extremely low flux creep relaxation rate may be tuned in many other superconducting materials.

Theory-restricted resonant x-ray reflectometry of quantum materials

NASA Astrophysics Data System (ADS)

Fürsich, Katrin; Zabolotnyy, Volodymyr B.; Schierle, Enrico; Dudy, Lenart; Kirilmaz, Ozan; Sing, Michael; Claessen, Ralph; Green, Robert J.; Haverkort, Maurits W.; Hinkov, Vladimir

2018-04-01

The delicate interplay of competing phases in quantum materials is dominated by parameters such as the crystal field potential, the spin-orbit coupling, and, in particular, the electronic correlation strength. Whereas small quantitative variations of the parameter values can thus qualitatively change the material, these values can hitherto hardly be obtained with reasonable precision, be it theoretically or experimentally. Here we propose a solution combining resonant x-ray reflectivity (RXR) with multiplet ligand field theory (MLFT). We first perform ab initio DFT calculations within the MLFT framework to get initial parameter values, which we then use in a fit of the theoretical model to RXR. To validate our method, we apply it to NiO and SrTiO3 and obtain parameter values, which are amended by as much as 20 % compared to the ab initio results. Our approach is particularly useful to investigate topologically trivial and nontrivial correlated insulators, staggered moments in magnetically or orbitally ordered materials, and reconstructed interfaces.

Influence of Al addition on structural, crystallization and soft magnetic properties of DC Joule annealed FeCo based nanocrystalline alloys

NASA Astrophysics Data System (ADS)

Murugaiyan, Premkumar; Abhinav, Anand; Verma, Rahul; Panda, Ashis K.; Mitra, Amitava; Baysakh, Sandip; Roy, Rajat K.

2018-02-01

The effect of minor Al addition on structural, crystallization, soft magnetic behaviour and magnetic field induced anisotropy through DC Joule annealing in (Fe53.95Co29.05)83Si1.3B11.7-xNb3Cu1Alx, (X = 0, 1) alloys has been studied. The Al added as-quenched melt spun ribbons show good glass forming ability, better thermo-physical properties like a high Tx1 of 438 °C, Tcam of 435 °C and Tcnc of 906 °C, compared to Tx1 of 389 °C, Tcam of 409 °C and Tcnc of 900 °C for the alloy without Al addition. The longitudinal magnetic field annealed Al added alloy exhibits low Hc of 12.92 A/m and maximum Ms. of 1.78 T. The better soft magnetic properties of Al added alloy are achieved through a high nucleation density of BCC-FeCo(Al) nanocrystallites having low K1 and λ values. The as-quenched alloys possess high magneto-strain exceeding 30 ppm and approach near zero value on nanocrystallization. The longitudinal magnetic field assisted DC Joule annealing, having current density (J) in the range of J = 20-25 A/mm2 promotes good magnetic softening due to precipitation of 5-35 nm nanocrystallites as explained by extended-random anisotropy model. The Al added alloy shows better magnetic field induced anisotropy (Ku) on nanocrystallization and shows visible change in the shape of hysteresis loop.

Electronegativity, charge transfer, crystal field strength, and the point charge model revisited.

PubMed

Tanner, Peter A; Ning, Lixin

2013-02-21

Although the optical spectra of LnCl(6)(3-) systems are complex, only two crystal field parameters, B(40) and B(60), are required to model the J-multiplet crystal field splittings in octahedral symmetry. It is found that these parameters exhibit R(-5) and R(-7) dependence, respectively, upon the ionic radius Ln(3+)(VI), but not upon the Ln-Cl distance. More generally, the crystal field strengths of LnX(6) systems (X = Br, Cl, F, O) exhibit linear relationships with ligand electronegativity, charge transfer energy, and fractional ionic character of the Ln-X bond.

Atomic density functional and diagram of structures in the phase field crystal model

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

Ankudinov, V. E., E-mail: vladimir@ankudinov.org; Galenko, P. K.; Kropotin, N. V.

2016-02-15

The phase field crystal model provides a continual description of the atomic density over the diffusion time of reactions. We consider a homogeneous structure (liquid) and a perfect periodic crystal, which are constructed from the one-mode approximation of the phase field crystal model. A diagram of 2D structures is constructed from the analytic solutions of the model using atomic density functionals. The diagram predicts equilibrium atomic configurations for transitions from the metastable state and includes the domains of existence of homogeneous, triangular, and striped structures corresponding to a liquid, a body-centered cubic crystal, and a longitudinal cross section of cylindricalmore » tubes. The method developed here is employed for constructing the diagram for the homogeneous liquid phase and the body-centered iron lattice. The expression for the free energy is derived analytically from density functional theory. The specific features of approximating the phase field crystal model are compared with the approximations and conclusions of the weak crystallization and 2D melting theories.« less

Order-disorder structural phase transition and magnetocaloric effect in organic-inorganic halide hybrid (C2H5NH3)2CoCl4

NASA Astrophysics Data System (ADS)

Sen, Abhijit; Roy, Soumyabrata; Peter, Sebastian C.; Paul, Arpita; Waghmare, Umesh V.; Sundaresan, A.

2018-02-01

We report a detailed experimental and theoretical investigation of structural, optical, magnetic and magnetothermal properties of single crystals of a new organic-inorganic hybrid (C2H5NH3)2CoCl4. Grown by slow evaporation method at room temperature, the compound crystallizes in centrosymmetric orthorhombic structure (Pnma) which undergoes a reversible phase transition at 235/241 K (cooling/heating) to noncentrosymmetric P212121 space group symmetry associated with order-disorder transformation of carbon atoms of the ammonium cations as well as molecular rearrangement. Electronic absorption spectra of the compound are typical of geometrically distorted [CoCl4]2- tetrahedra having spin-orbit coupling effect. The isolated nature of [CoCl4]2- tetrahedra in the crystal reflect in paramagnetic behaviour of the compound. Interestingly, field induced spin flipping behaviour is observed at low temperature. First principles density functional calculations reveal weak magnetic interaction among cobalt spins with ferromagnetic state being the ground state. The entropy change associated with the spin flipping has been experimentally estimated by magnetic and heat capacity measurements which has a maximum value of 16 J Kg-1 K-1 at 2.5 K under 7 T magnetic field. To the best of our knowledge, this is the first report on magnetocaloric effect observed in an organic-inorganic halide compound. The estimated value is sizable and is comparable to that of well-known transition metal molecular cluster magnets Mn12 or Fe14. The overall findings promise to enlighten new routes to design and constitute multifunctional organic-inorganic halide materials.

Variability of Young’s modulus and Poisson’s ratio of hexagonal crystals

NASA Astrophysics Data System (ADS)

Komarova, M. A.; Gorodtsov, V. A.; Lisovenko, D. S.

2018-04-01

In this paper, the variability of elastic characteristics (Young’s modulus and Poisson’s ratio) of hexagonal crystals has been studied. Analytic expressions for Young’s modulus and Poisson’s ratio are obtained. Stationary values for these elastic characteristics are found. Young’s modulus has three stationary values, and Poisson’s ratio has eight stationary values. Numerical analysis of these elastic characteristics for hexagonal crystals is given based on the experimental data from the Landolt-Börnstein handbook. Global extrema of Young’s modulus and Poisson’s ratio for hexagonal crystals are found. Crystals are found in which the maximum values exceeds the upper limit for isotropic materials.

Stability of Magnetically-Suppressed Solutal Convection In Protein Crystal Growth

NASA Technical Reports Server (NTRS)

Leslie, F. W.; Ramachandran, N.

2005-01-01

The effect of convection during the crystallization of proteins is not very well understood. In a gravitational field, convection is caused by crystal sedimentation and by solutal buoyancy induced flow and these can lead to crystal imperfections. While crystallization in microgravity can approach diffusion limited growth conditions (no convection), terrestrially strong magnetic fields can be used to control fluid flow and sedimentation effects. In this work, a theory is presented on the stability of solutal convection of a magnetized fluid in the presence of a magnetic field. The requirements for stability are developed and compared to experiments performed within the bore of a superconducting magnet. The theoretical predictions are in good agreement with the experiments and show solutal convection can be stabilized if the surrounding fluid has larger magnetic susceptibility and the magnetic field has a specific structure. Discussion on the application of the technique to protein crystallization is also provided.

Effect of grain boundary on the field-effect mobility of microrod single crystal organic transistors.

PubMed

Kim, Jaekyun; Kang, Jingu; Cho, Sangho; Yoo, Byungwook; Kim, Yong-Hoon; Park, Sung Kyu

2014-11-01

High-performance microrod single crystal organic transistors based on a p-type 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C8-BTBT) semiconductor are fabricated and the effects of grain boundaries on the carrier transport have been investigated. The spin-coating of C8-BTBT and subsequent solvent vapor annealing process enabled the formation of organic single crystals with high aspect ratio in the range of 10 - 20. It was found that the organic field-effect transistors (OFETs) based on these single crystals yield a field-effect mobility and an on/off current ratio of 8.04 cm2/Vs and > 10(5), respectively. However, single crystal OFETs with a kink, in which two single crystals are fused together, exhibited a noticeable drop of field-effect mobility, and we claim that this phenomenon results from the carrier scattering at the grain boundary.

GROWTH AND CHARACTERIZATION OF SINGLE CRYSTALS OF RARE EARTH COMPOUNDS.

DTIC Science & Technology

SINGLE CRYSTALS, CRYSTAL GROWTH), (*CRYSTAL GROWTH, SINGLE CRYSTALS), (*RARE EARTH COMPOUNDS, SINGLE CRYSTALS), EPITAXIAL GROWTH, SODIUM COMPOUNDS, CHLORIDES, VAPOR PLATING, ELECTROSTATIC FIELDS, ENERGY, ATOMIC PROPERTIES , BONDING

Molding resonant energy transfer by colloidal crystal: Dexter transfer and electroluminescence

NASA Astrophysics Data System (ADS)

González-Urbina, Luis; Kolaric, Branko; Libaers, Wim; Clays, Koen

2010-05-01

Building photonic crystals by combination of colloidal ordering and metal sputtering we were able to construct a system sensitive to an electrical field. In corresponding crystals we embedded the Dexter pair (Ir(ppy3) and BAlq) and investigated the influence of the band gap on the resonant energy transfer when the system is excited by light and by an electric field respectively. Our investigations extend applications of photonic crystals into the field of electroluminescence and LED technologies.

Vacuum lamination approach to fabrication of high-performance single-crystal organic field-effect transistors.

PubMed

Yi, H T; Chen, Y; Czelen, K; Podzorov, V

2011-12-22

A novel vacuum lamination approach to fabrication of high-performance single-crystal organic field-effect transistors has been developed. The non-destructive nature of this method allows a direct comparison of field-effect mobilities achieved with various gate dielectrics using the same single-crystal sample. The method also allows gating delicate systems, such as n -type crystals and SAM-coated surfaces, without perturbation. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effects of polymers on the rotational viscosities of nematic liquid crystals and dynamics of field alignment

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

Kim, D.

Many of the important physical phenomena exhibited by the nematic phase, such as its unusual flow properties and its responses to the electric and the magnetic fields, can be discussed regarding it as a continous medium. The Leslie-Erickson dynamic theory has the six dissipative coefficients from continuum model of liquid crystal. Parodi showed that only five of them are independent, when Onsagar`s reciprocal relations are used. One of these, which has no counterpart in the isotropic liquids, is the rotational viscosity co-efficient, {gamma}{sub 1}. The main objective of this project is to study the rotational viscosities of selected micellar nematicmore » systems and the effect of dissolved polymers in micellar and thermotropic liqud crystals. We used rotating magnetic field method which allows one to determine {gamma}{sub 1} and the anisotropic magnetic susceptibility, {chi}{sub a}. For the ionic surfactant liquid crystals of SDS and KL systems used in this study, the rotational viscosity exhibited an extraordinary drop after reaching the highest values {gamma}{sub 1} as the temperature was lowered. This behavior is not observed in normal liquid crystals. But this phenomena can be attributed to the existence of nematic biaxial phase below the rod-like nematic N{sub c} phase. The pretransitional increase in {gamma}{sub 1} near the disk-like nematic to smectic-A phase transition of the pure CsPFO/H{sub 2}O systems are better understood with the help of mean-field models of W.L. McMillan. He predicted a critical exponent {nu} = {1/2} for the divergence of {gamma}{sub 1}. The polymer (PEO, molecular weight = 10{sup 5}) dissolved in CsPFO/H{sub 2}O system (which has 0.6% critical polymer concentration), suppressed the nematic to lamellar smectic phase transition in concentrated polymer solutions (0.75% and higher). In dilute polymer solutions with lower than 0.3% polyethylene-oxide, a linear increase of {gamma}{sub 1} is observed, which agrees with Brochard theory.« less

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

de Hatten, Xavier; Cournia, Zoe; Huc, Ivan

The increasing importance of hydrogenase enzymes in the new energy research field has led us to examine the structure and dynamics of potential hydrogenase mimics, based on a ferrocene-peptide scaffold, using molecular dynamics (MD) simulations. To enable this MD study, a molecular mechanics force field for ferrocene-bearing peptides was developed and implemented in the CHARMM simulation package, thus extending the usefulness of the package into peptide-bioorganometallic chemistry. Using the automated frequency-matching method (AFMM), optimized intramolecular force-field parameters were generated through quantum chemical reference normal modes. The partial charges for ferrocene were derived by fitting point charges to quantum-chemically computed electrostaticmore » potentials. The force field was tested against experimental X-ray crystal structures of dipeptide derivatives of ferrocene-1,1'-dicarboxylic acid. The calculations reproduce accurately the molecular geometries, including the characteristic C{sub 2}-symmetrical intramolecular hydrogen-bonding pattern, that were stable over 0.1 {micro}s MD simulations. The crystal packing properties of ferrocene-1-(D)alanine-(D)proline-1'-(D)alanine-(D)proline were also accurately reproduced. The lattice parameters of this crystal were conserved during a 0.1 {micro}s MD simulation and match the experimental values almost exactly. Simulations of the peptides in dichloromethane are also in good agreement with experimental NMR and circular dichroism (CD) data in solution. The developed force field was used to perform MD simulations on novel, as yet unsynthesized peptide fragments that surround the active site of [Ni-Fe] hydrogenase. The results of this simulation lead us to propose an improved design for synthetic peptide-based hydrogenase models. The presented MD simulation results of metallocenes thereby provide a convincing validation of our proposal to use ferrocene-peptides as minimal enzyme mimics.« less

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

De Hatten, Xavier; Cournia, Zoe; Smith, Jeremy C

The increasing importance of hydrogenase enzymes in the new energy research field has led us to examine the structure and dynamics of potential hydrogenase mimics, based on a ferrocene-peptide scaffold, using molecular dynamics (MD) simulations. To enable this MD study, a molecular mechanics force field for ferrocene-bearing peptides was developed and implemented in the CHARMM simulation package, thus extending the usefulness of the package into peptide-bioorganometallic chemistry. Using the automated frequency-matching method (AFMM), optimized intramolecular force-field parameters were generated through quantum chemical reference normal modes. The partial charges for ferrocene were derived by fitting point charges to quantum-chemically computed electrostaticmore » potentials. The force field was tested against experimental X-ray crystal structures of dipeptide derivatives of ferrocene-1,1{prime}-dicarboxylic acid. The calculations reproduce accurately the molecular geometries, including the characteristic C2-symmetrical intramolecular hydrogen-bonding pattern, that were stable over 0.1{micro}s MD simulations. The crystal packing properties of ferrocene-1-(D)alanine-(D)proline{prime}-1-(D)alanine-(D)proline were also accurately reproduced. The lattice parameters of this crystal were conserved during a 0.1 s MD simulation and match the experimental values almost exactly. Simulations of the peptides in dichloromethane are also in good agreement with experimental NMR and circular dichroism (CD) data in solution. The developed force field was used to perform MD simulations on novel, as yet unsynthesized peptide fragments that surround the active site of [Ni-Fe] hydrogenase. The results of this simulation lead us to propose an improved design for synthetic peptide-based hydrogenase models. The presented MD simulation results of metallocenes thereby provide a convincing validation of our proposal to use ferrocene-peptides as minimal enzyme mimics.« less

Comparative study of flux pinning, creep and critical currents between YBaCuO crystals with and without Y2BaCuO5 inclusions

NASA Technical Reports Server (NTRS)

Murakami, Masato; Gotoh, Satoshi; Fujimoto, Hiroyuki; Koshizuka, Naoki; Tanaka, Shoji

1991-01-01

In the Y-Ba-Cu-O system, YBa2Cu3O(x) phase is produced by the following peritectic reaction: Y2BaCuO5 + liquid yields 2YBa2Cu3O(x). Through the control of processing conditions and starting compositions, it becomes possible to fabricate large crystals containing fine Y2BaCuO5(211) inclusions. Such crystals exhibit Jc values exceeding 10000 A/sq cm at 77 K and 1T. Recently, researchers developed a novel process which can control the volume fraction of 211 inclusions. Elimination of 211 inclusions is also possible. In this study, researchers prepared YBaCuO crystals with and without 211 inclusions using the novel process, and compared flux pinning, flux creep and critical currents. Magnetic field dependence of Jc for YBaCuO crystals with and with 211 inclusions is shown. It is clear that fine 211 inclusions can contribute to flux pinning. It was also found that flux creep rate could be reduced by increasing flux pinning force. Critical current density estimates based on the conventional flux pinning theory were in good agreement with experimental results.

Dielectric evidence for possible type-II multiferroicity in α-RuCl3

NASA Astrophysics Data System (ADS)

Zheng, JiaCheng; Cui, Yi; Li, TianRun; Ran, KeJing; Wen, JinSheng; Yu, WeiQiang

2018-05-01

$\\alpha$-RuCl$_3$ is a Mott insulator with a honeycomb lattice with strong spin-orbit coupling. We report dielectric measurements on $\\alpha$-RuCl$_3$ single crystals under field. At zero field, the dielectric constant, $\\epsilon$, drops rapidly when cooled through the magnetic transition temperature T$_N$. With increasing field, the onset of the drop in $\\epsilon$ tracks the T$_N$. Such behavior is absent with field above a critical value H$_c$ ~ 7.5 T, indicating the onset of a quantum phase transition. Our data suggest that the dielectric constant can be used as a probe of magnetic ordering in $\\alpha$-RuCl$_3$, and $\\alpha$-RuCl$_3$ is a possible type-II multiferroics.

A study of the origin of large magnetic field coupled electric polarization in HoAl(BO3)4

NASA Astrophysics Data System (ADS)

Yu, Tian; Zhang, Han; Tyson, Trevor; Chen, Zhiqiang; Abeykoon, Milinda; Nelson, Christie; Bezmaternykh, Leonard

2015-03-01

The multiferroic system RAl(BO3)4 is known to exhibit a strong coupling of magnetic field to the electrical polarization. Recently a giant magnetoelectric effect was found in HoAl3(BO3)4 system. This phenomenon is considered quite interesting because the value discovered is significantly higher than reported values of linear magnetoelectric or even multiferroic compounds. We are conducting detailed structural measurements to understand the coupling. We are exploring the local and long range structure in these systems using x-ray PDF, XAFS and single crystal diffraction measurement between 10 K and 400 K. Structural parameters including lattice parameters and ADPs are being determined over the full temperature range. This work is supported by DOE Grant DE-FG02-07ER46402.

Coeval Formation of Zircon Megacrysts and Host Magmas in the Eifel Volcanic Field (Germany) Based on High Spatial Resolution Petrochronology

NASA Astrophysics Data System (ADS)

Schmitt, Axel; Klitzke, Malte; Gerdes, Axel; Ludwig, Thomas; Schäfer, Christof

2017-04-01

Zircon megacrysts (approx. 0.5-6 mm in diameter) from the Quaternary West and East Eifel volcanic fields, Germany, occur as euhedral crystals in porous K-spar rich plutonic ejecta clasts, and as partially resorbed xenocrysts in tephrite lava. Their relation to the host volcanic rocks has remained contentious because the dominantly basanitic to phonolitic magma compositions in the Eifel are typically zircon undersaturated. We carried out a detailed microanalytical study of zircon megacrysts from seven locations (Emmelberg and Rockeskyll in the West Eifel; Bellerberg, Laacher See, Mendig, Rieden, and Wehr in the East Eifel). Crystals were embedded in epoxy, sectioned to expose interiors through grinding with abrasives, diamond-polished, and mapped by optical microscopy, backscattered electron, and cathodoluminescence imaging. Subsequently, isotope-specific analysis using secondary ionization mass spectrometry (SIMS) and laser ablation inductively coupled mass spectrometry (LA-ICP-MS) was carried out placing 100 correlated spots on 20 selected crystals. Concordant U-Th disequilibrium and U-Pb ages determined by SIMS are between ca. 430 ka (Rieden) and 170 ka (Mendig) and indicate that the megacryst zircons crystallized almost always briefly before eruption. A significant gap between zircon megacryst crystallization (ca. 230 ka) and eruption (ca. 45 ka) ages was only detected for the Emmelberg location. SIMS trace element abundances (e.g., rare earth elements) vary by orders-of-magnitude and correlate with domain boundaries visible in cathodoluminescence; trace element patterns match those reported for zircon from syenitic origins. Isotopic compositions are homogeneous within individual crystals, but show some heterogeneity between different crystals from the same locality. Average isotopic values (δ18O SMOW = +5.3±0.6 ‰ by SIMS; present-day ɛHf = +1.7±2.5 ‰ by LA-ICP-MS; 1 standard deviation), however, are consistent with source magmas being dominantly mantle-derived. The porous structure and relatively small grain size of the host enclaves suggests that they originated from subvolcanic intrusions. Moreover, the preservation of zircon in hot, zircon undersaturated magmas requires brief residence times. Zircon megacrysts thus appear to have crystallized in highly differentiated magmas or nearly solidified intrusions from which crystals or rock aggregates were incorporated into more primitive magmas en route to surface. This implies that chemical signatures of apparently primitive magmas in basaltic volcanic fields can be modified by interaction with evolved melts that differentiated prior to eruption, mostly within an interval less than the ca. 10-25 ka uncertainty range of the radiometric ages.

A parametric study of segregation effects during vertical Bridgman crystal growth with an axial magnetic field

NASA Astrophysics Data System (ADS)

Ma, N.; Walker, J. S.

2000-01-01

This paper presents a model for the unsteady transport of a dopant during the vertical Bridgman crystal growth process with a planar crystal-melt interface and with an axial magnetic field, and investigates the effects of varying different process variables on the crystal composition. The convective mass transport due to the buoyant convection in the melt produces nonuniformities in the concentration in both the melt and the crystal. The convective mass transport plays an important role for all magnetic field strengths considered. Diffusive mass transport begins to dominate for a magnetic flux density of 4 T and a fast growth rate, producing crystals which have an axial variation of the radially averaged crystal composition approaching that of the diffusion-controlled limit. Dopant distributions for several different combinations of process parameters are presented.

Active crystals on a sphere

NASA Astrophysics Data System (ADS)

Praetorius, Simon; Voigt, Axel; Wittkowski, Raphael; Löwen, Hartmut

2018-05-01

Two-dimensional crystals on curved manifolds exhibit nontrivial defect structures. Here we consider "active crystals" on a sphere, which are composed of self-propelled colloidal particles. Our work is based on a phase-field-crystal-type model that involves a density and a polarization field on the sphere. Depending on the strength of the self-propulsion, three different types of crystals are found: a static crystal, a self-spinning "vortex-vortex" crystal containing two vortical poles of the local velocity, and a self-translating "source-sink" crystal with a source pole where crystallization occurs and a sink pole where the active crystal melts. These different crystalline states as well as their defects are studied theoretically here and can in principle be confirmed in experiments.

Two-stage magnetic orientation of uric acid crystals as gout initiators

NASA Astrophysics Data System (ADS)

Takeuchi, Y.; Miyashita, Y.; Mizukawa, Y.; Iwasaka, M.

2014-01-01

The present study focuses on the magnetic behavior of uric acid crystals, which are responsible for gout. Under a sub-Tesla (T)-level magnetic field, rotational motion of the crystals, which were caused by diamagnetic torque, was observed. We used horizontal magnetic fields with a maximum magnitude of 500 mT generated by an electromagnet to observe the magnetic orientation of the uric acid microcrystals by a microscope. The uric acid crystals showed a perpendicular magnetic field orientation with a minimum threshold of 130 mT. We speculate that the distinct diamagnetic anisotropy in the uric acid crystals resulted in their rotational responses.

EPR study of a gamma-irradiated (2-hydroxyethyl)triphenylphosphonium chloride single crystal

NASA Astrophysics Data System (ADS)

Karakaş, E.; Türkkan, E.; Dereli, Ö.; Sayιn, Ü.; Tapramaz, R.

2011-12-01

In this study, gamma-irradiated single crystals of (2-hydroxyethyl)triphenylphosphonium chloride [CH2CH2OH P(C6H5)3Cl] were investigated with electron paramagnetic resonance (EPR) spectroscopy at room temperature for different orientations in the magnetic field. The single crystals were irradiated with a 60Co-γ-ray source at 0.818 kGy/h for about 36 h. Taking the chemical structure and the experimental spectra of the irradiated single crystal of the title compound into consideration, a paramagnetic species was produced with the unpaired electron delocalized around 31P and several 1H nuclei. The anisotropic hyperfine values due to the 31P nucleus, slightly anisotropic hyperfine values due to the 1H nuclei and the g-tensor of the radical were measured from the spectra. Depending on the molecular structure and measured parameters, three possible radicals were modeled using the B3LYP/6-31+G(d) level of density-functional theory, and EPR parameters were calculated for modeled radicals using the B3LYP/TZVP method/basis set combination. The calculated hyperfine coupling constants were found to be in good agreement with the observed EPR parameters. The experimental and theoretically simulated spectra for each of the three crystallographic axes were well matched with one of the modeled radicals (discussed in the text). We thus identified the radical C˙H2CH2 P(C 6H5)3 Cl as a paramagnetic species produced in a single crystal of the title compound in two magnetically distinct sites. The experimental g-factor and hyperfine coupling constants of the radical were found to be anisotropic, with the isotropic values g iso = 2.0032, ? G, ? G, ? G and ? G for site 1 and g iso=2.0031, ? G, ? G ? G and ? G for site 2.

Crystal structure and magnetic properties of '{alpha} Prime Prime -Fe{sub 16}N{sub 2}' containing residual {alpha}-Fe prepared by low-temperature ammonia nitridation

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

Yamashita, S.; Masubuchi, Y.; Nakazawa, Y.

2012-10-15

Slight enhancement of saturation magnetization to 219 A m{sup 2} kg{sup -1} was observed from 199 A m{sup 2} kg{sup -1} for the original {alpha}-Fe on the intermediate nitrided mixture of '{alpha} Prime Prime -Fe{sub 16}N{sub 2}' with residual {alpha}-Fe among the low temperature ammonia nitridation products under 5 T magnetic field at room temperature. The value changed not linearly against the yield as had been expected. Crystal structure refinement indicated that the phase similar to {alpha} Prime Prime -Fe{sub 16}N{sub 2} had deviations on its lattice constants and positional parameters, compared to previously reported values for {alpha} Prime Primemore » -Fe{sub 16}N{sub 2}. Spin-polarized total energy calculations were performed using the projector-augmented wave method as implemented in the Vienna ab-initio simulation package (VASP) to calculate magnetic moment on the refined crystal structure of the intermediate '{alpha} Prime Prime -Fe{sub 16}N{sub 2}'. The calculations supported the observed magnetization enhancement in the intermediate nitridation product. - Graphical abstract: Crystal structural parameters slightly change in the intermediate nitrided '{alpha} Prime Prime -Fe{sub 16}N{sub 2}' from those in {alpha} Prime Prime -Fe{sub 16}N{sub 2} to show the magnetization maxima in the mixture of '{alpha} Prime Prime -Fe{sub 16}N{sub 2}' and the residual {alpha}-F. Highlights: Black-Right-Pointing-Pointer Larger magnetization was observed than the value of Fe{sub 16}N{sub 2} on its intermediate nitrided mixture with residual {alpha}-Fe. Black-Right-Pointing-Pointer The enhancement was related to the crystal structural deviation from Fe{sub 16}N{sub 2} on the intermediate nitride. Black-Right-Pointing-Pointer It was supported by spin-polarized total energy calculation using the deviated structure.« less

Electronic structure of ytterbium-implanted GaN at ambient and high pressure: experimental and crystal field studies.

PubMed

Kaminska, A; Ma, C-G; Brik, M G; Kozanecki, A; Boćkowski, M; Alves, E; Suchocki, A

2012-03-07

The results of high-pressure low-temperature optical measurements in a diamond-anvil cell of bulk gallium nitride crystals implanted with ytterbium are reported in combination with crystal field calculations of the Yb(3+) energy levels. Crystal field analysis of splitting of the (2)F(7/2) and (2)F(5/2) states has been performed, with the aim of assigning all features of the experimental luminescence spectra. A thorough analysis of the pressure behavior of the Yb(3+) luminescence lines in GaN allowed the determination of the ambient-pressure positions and pressure dependence of the Yb(3+) energy levels in the trigonal crystal field as well as the pressure-induced changes of the spin-orbit coupling coefficient.

Picosecond electric-field-induced threshold switching in phase-change materials [THz-induced threshold switching and crystallization of phase-change materials

DOE PAGES

Zalden, Peter; Shu, Michael J.; Chen, Frank; ...

2016-08-05

Many chalcogenide glasses undergo a breakdown in electronic resistance above a critical field strength. Known as threshold switching, this mechanism enables field-induced crystallization in emerging phase-change memory. Purely electronic as well as crystal nucleation assisted models have been employed to explain the electronic breakdown. Here, picosecond electric pulses are used to excite amorphous Ag 4In 3Sb 67Te 26. Field-dependent reversible changes in conductivity and pulse-driven crystallization are observed. The present results show that threshold switching can take place within the electric pulse on subpicosecond time scales—faster than crystals can nucleate. As a result, this supports purely electronic models of thresholdmore » switching and reveals potential applications as an ultrafast electronic switch.« less

Phase diagram of URu 2–xFe xSi 2 in high magnetic fields

DOE PAGES

Ran, Sheng; Jeon, Inho; Pouse, Naveen; ...

2017-08-28

Here, electrical transport measurements were performed on URu 2-xFe xSi 2 single-crystal specimens in high magnetic fields up to 45 T (DC fields) and 60 T (pulsed fields). We observed a systematic evolution of the critical fields for both the hidden-order (HO) and large-moment antiferromagnetic (LMAFM) phases and established the 3D phase diagram of T–H–x. In the HO phase, H/H 0 scales with T/T 0 and collapses onto a single curve. However, in the LMAFM phase, this single scaling relation is not satisfied. Within a certain range of x values, the HO phase reenters after the LMAFM phase is suppressedmore » by the magnetic field, similar to the behavior observed for URu 2Si 2 within a certain range of pressures.« less

Phase diagram of URu 2–xFe xSi 2 in high magnetic fields

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

Ran, Sheng; Jeon, Inho; Pouse, Naveen

Here, electrical transport measurements were performed on URu 2-xFe xSi 2 single-crystal specimens in high magnetic fields up to 45 T (DC fields) and 60 T (pulsed fields). We observed a systematic evolution of the critical fields for both the hidden-order (HO) and large-moment antiferromagnetic (LMAFM) phases and established the 3D phase diagram of T–H–x. In the HO phase, H/H 0 scales with T/T 0 and collapses onto a single curve. However, in the LMAFM phase, this single scaling relation is not satisfied. Within a certain range of x values, the HO phase reenters after the LMAFM phase is suppressedmore » by the magnetic field, similar to the behavior observed for URu 2Si 2 within a certain range of pressures.« less

Induced Anisotropy in FeCo-Based Nanocrystalline Ferromagnetic Alloys (HITPERM) by Very High Field Annealing

NASA Technical Reports Server (NTRS)

Johnson, F.; Garmestani, H.; Chu, S.-Y.; McHenry, M. E.; Laughlin, D. E.

2004-01-01

Very high magnetic field annealing is shown to affect the magnetic anisotropy in FeCo-base nanocrystalline soft ferromagnetic alloys. Alloys of composition Fe(44.5)Co(44.5)Zr(7)B(4) were prepared by melt spinning into amorphous ribbons, then wound to form toroidal bobbin cores. One set of cores was crystallized in a zero field at 600 deg. C for 1 h, then, field annealed at 17 tesla (T) at 480 deg. C for 1 h. Another set was crystallized in a 17-T field at 480 deg. C for 1 h. Field orientation was transverse to the magnetic path of the toroidal cores. An induced anisotropy is indicated by a sheared hysteresis loop. Sensitive torque magnetometry measurements with a Si cantilever sensor indicated a strong, uniaxial, longitudinal easy axis in the zero-field-crystallized sample. The source is most likely magnetoelastic anisotropy, caused by the residual stress from nanocrystallization and the nonzero magnetostriction coefficient for this material. The magnetostrictive coefficient lambda(5) is measured to be 36 ppm by a strain gage technique. Field annealing reduces the magnitude of the induced anisotropy. Core loss measurements were made in the zero-field-crystallized, zero-field-crystallized- than-field-annealed, and field-crystallized states. Core loss is reduced 30%-50% (depending on frequency) by field annealing. X-ray diffraction reveals no evidence of crystalline texture or orientation that would cause the induced anisotropy. Diffusional pair ordering is thought to be the cause of the induced anisotropy. However, reannealing the samples in the absence of a magnetic field at 480 deg. C does not completely remove the induced anisotropy.

Photovoltaic dependence of photorefractive grating on the externally applied dc electric field

NASA Astrophysics Data System (ADS)

Maurya, M. K.; Yadav, R. A.

2013-04-01

Photovoltaic dependence of photorefractive grating (i.e., space-charge field and phase-shift of the index grating) on the externally applied dc electric field in photovoltaic-photorefractive materials has been investigated. The influence of photovoltaic field (EPhN), diffusion field and carrier concentration ratio r (donor/acceptor impurity concentration ratio) on the space-charge field (SCF) and phase-shift of the index grating in the presence and absence of the externally applied dc electric field have also been studied in details. Our results show that, for a given value of EPhN and r, the magnitude of the SCF and phase-shift of the index grating can be enhanced significantly by employing the lower dc electric field (EON<10) across the photovoltaic-photorefractive crystal and higher value of diffusion field (EDN>40). Such an enhancement in the magnitude of the SCF and phase-shift of the index grating are responsible for the strongest beam coupling in photovoltaic-photorefractive materials. This sufficiently strong beam coupling increases the two-beam coupling gain that may be exceed the absorption and reflection losses of the photovoltaic-photorefractive sample, and optical amplification can occur. The higher value of optical amplification in photovoltaic-photorefractive sample is required for the every applications of photorefractive effect so that technology based on the photorefractive effect such as holographic storage devices, optical information processing, acousto-optic tunable filters, gyro-sensors, optical modulators, optical switches, photorefractive-photovoltaic solitons, biomedical applications, and frequency converters could be improved.

Highly Flexible and Conductive Glycerol-Doped PEDOT:PSS Films Prepared Under an Electric Field

NASA Astrophysics Data System (ADS)

Yamaguchi, Hiroyuki; Aizawa, Kengo; Chonan, Yasunori; Komiyama, Takao; Aoyama, Takashi; Sakai, Eiichi; Qiu, Jianhui; Sato, Naoki

2018-06-01

Poly(3,4-ethylenedioxythiophene):poly(4-styrenesulfonate) (PEDOT:PSS) films doped with several sugar alcohols, viz. xylitol (XL), glycerol (GL), and polyglycerol (PG), at various levels have been synthesized and their thermoelectric properties studied. Among these specimens, 2.5 vol.% GL-doped films showed the best performance with electrical conductivity σ, Seebeck coefficient S, and power factor S 2 σ at room temperature reaching 1040 S/cm, 19 μV/K, and 37 μW/m-K2, respectively. Next, we synthesized films under an electric field E pr for the purpose of crystal growth. GL-doped films showed σ enhancement with increase of E pr. The highest σ value of 1300 S/cm was attained at E pr = 4 kV/cm. S and thermal conductivity κ values were almost independent of E pr. The ZT value was calculated to be between 0.017 and 0.101 at room temperature. We also examined film flexibility. High flexibility was achieved on GL doping, and it was not deteriorated when synthesized under an electric field.

Highly Flexible and Conductive Glycerol-Doped PEDOT:PSS Films Prepared Under an Electric Field

NASA Astrophysics Data System (ADS)

Yamaguchi, Hiroyuki; Aizawa, Kengo; Chonan, Yasunori; Komiyama, Takao; Aoyama, Takashi; Sakai, Eiichi; Qiu, Jianhui; Sato, Naoki

2018-04-01

Poly(3,4-ethylenedioxythiophene):poly(4-styrenesulfonate) (PEDOT:PSS) films doped with several sugar alcohols, viz. xylitol (XL), glycerol (GL), and polyglycerol (PG), at various levels have been synthesized and their thermoelectric properties studied. Among these specimens, 2.5 vol.% GL-doped films showed the best performance with electrical conductivity σ, Seebeck coefficient S, and power factor S 2 σ at room temperature reaching 1040 S/cm, 19 μV/K, and 37 μW/m-K2, respectively. Next, we synthesized films under an electric field E pr for the purpose of crystal growth. GL-doped films showed σ enhancement with increase of E pr. The highest σ value of 1300 S/cm was attained at E pr = 4 kV/cm. S and thermal conductivity κ values were almost independent of E pr. The ZT value was calculated to be between 0.017 and 0.101 at room temperature. We also examined film flexibility. High flexibility was achieved on GL doping, and it was not deteriorated when synthesized under an electric field.

Synthesis of In2O3 nanostructures with different morphologies as potential supercapacitor electrode materials

NASA Astrophysics Data System (ADS)

Tuzluca, Fatma Nur; Yesilbag, Yasar Ozkan; Ertugrul, Mehmet

2018-01-01

In this study performed using a chemical vapor deposition (CVD) system, one-dimensional (1-D) single crystal indium oxide (In2O3) nanotowers, nanobouqets, nanocones, and nanowires were investigated as a candidate for a supercapacitor electrode material. These nanostructures were grown via Vapor-Liquid-Solid (VLS) and Vapor-Solid (VS) mechanisms according to temperature differences (1000-600 °C). The morphologies, growth mechanisms and crystal structures of these 1-D single crystal In2O3 nanostructures were defined by Field Emission Scanning Electron Microscopy (FESEM), High Resolution Transmission Electron Microscopy (HR-TEM), X-Ray Diffraction (XRD) and Raman Spectroscopy analyses. The elemental analyses of the nanostructures were carried out by energy dispersive X-Ray Spectroscopy (EDS); they gave photoluminescence (PL) spectra with 3.39, 2.65, and 1.95 eV band gap values, corresponding to 365 nm, 467 nm, and 633 wavelengths, respectively. The electrochemical performances of these 1-D single crystal In2O3 nanostructures in an aqueous electrolyte solution (1 M Na2SO4) were determined by Cyclic Voltammetry (CV), Galvanostatic Charge Discharge (GCD) and Electrochemical Impedance Spectroscopy (EIS) analyses. According to GCD measurements at 0.04 mA cm-2 current density, areal capacitance values were 10.1 mF cm-2 and 6.7 mF cm-2 for nanotowers, 12.5 mF cm-2 for nanobouquets, 4.9 mF cm-2 for nanocones, and 16.6 mF cm-2 for nanowires. The highest areal capacitance value was observed in In2O3 nanowires, which retained 66.8% of their initial areal capacitance after a 10000 charge-discharge cycle, indicating excellent cycle stability.

Static magnetic susceptibility, crystal field and exchange interactions in rare earth titanate pyrochlores.

PubMed

Malkin, B Z; Lummen, T T A; van Loosdrecht, P H M; Dhalenne, G; Zakirov, A R

2010-07-14

The experimental temperature dependence (T = 2-300 K) of single crystal bulk and site susceptibilities of rare earth titanate pyrochlores R(2)Ti(2)O(7) (R = Sm, Eu, Gd, Tb, Dy, Ho, Er, Yb) is analyzed in the framework of crystal field theory and a mean field approximation. Analytical expressions for the site and bulk susceptibilities of the pyrochlore lattice are derived taking into account long range dipole-dipole interactions and anisotropic exchange interactions between the nearest neighbor rare earth ions. The sets of crystal field parameters and anisotropic exchange coupling constants have been determined and their variations along the lanthanide series are discussed.

Anomalous Nernst effect in a microfabricated thermoelectric element made of chiral antiferromagnet Mn3Sn

NASA Astrophysics Data System (ADS)

Narita, Hideki; Ikhlas, Muhammad; Kimata, Motoi; Nugroho, Agustinus Agung; Nakatsuji, Satoru; Otani, YoshiChika

2017-11-01

Toward realizing a thermopile made of the chiral anti-ferromagnet Mn3Sn, focused ion beam (FIB) lithography was employed to microfabricate a thermoelectric element consisting of a Ta/Al2O3/Mn3Sn layered structure. In this device, the Ta layer acts as a heater producing Joule heat diffusing across the Al2O3 insulating layer into the thin Mn3Sn layer. The measured Nernst signal exhibits a clear hysteresis in an applied temperature gradient and magnetic field at 300 K, and its magnitude is proportional to the square of the electrical current applied to the Ta heater. The spontaneous, zero field voltage signal in the device is of the order of a few μV, which is almost the same order of magnitude as observed in the bulk single-crystal Mn3Sn under a temperature gradient. The anomalous Nernst coefficient SANE of the microfabricated element was determined using a temperature gradient simulated by finite-element modeling. The obtained value of SANE is 0.27 μV/K, which is in good agreement with that of the reported experimental value of SANE (0.3 μV/K) for bulk single-crystal Mn3Sn. This result indicates that FIB microfabrication does not significantly alter the thermoelectric properties of bulk Mn3Sn. As the chiral antiferromagnet produces almost no stray field, our study opens the avenue for the fabrication of an efficient thermopile by densely packing the microfabricated antiferromagnetic elements.

Modified Acousto-Optic Adaptive Processor (Mod-AOAP)

DTIC Science & Technology

1992-12-01

International Science Center, who assisted in the design of the mod-AOAP using the photorefractive crystal; George Brost of RL/OCPA, who provided many...cancellation. Discussions with George Brost and John Hong indicate the instabilities are greater when only applying a DC field. Other system...m); "% Diffraction eff. according to George -> Huignard "% Values taken from Fred Vachss-Photorefractive > "% Transfer Function k=2*pi/50-6; % Grating

Electronic structure and electron energy-loss spectroscopy of ZrO2 zirconia

NASA Astrophysics Data System (ADS)

Dash, L. K.; Vast, Nathalie; Baranek, Philippe; Cheynet, Marie-Claude; Reining, Lucia

2004-12-01

The atomic and electronic structures of zirconia are calculated within density functional theory, and their evolution is analyzed as the crystal-field symmetry changes from tetrahedral [cubic (c-ZrO2) and tetragonal (t-ZrO2) phases] to octahedral (hypothetical rutile ZrO2 ), to a mixing of these symmetries (monoclinic phase, m-ZrO2 ). We find that the theoretical bulk modulus in c-ZrO2 is 30% larger than the experimental value, showing that the introduction of yttria in zirconia has a significant effect. Electronic structure fingerprints which characterize each phase from their electronic spectra are identified. We have carried out electron energy-loss spectroscopy experiments at low momentum transfer and compared these results to the theoretical spectra calculated within the random phase approximation. We show a dependence of the valence and 4p ( N2,3 edge) plasmons on the crystal structure, the dependence of the latter being brought into the spectra by local-field effects. Last, we attribute low energy excitations observed in EELS of m-ZrO2 to defect states 2eV above the top of the intrinsic valence band, and the EELS fundamental band gap value is reconciled with the 5.2 or 5.8eV gaps determined by vacuum ultraviolet spectroscopy.

Quantum effect on the energy levels of Eu2+ doped K2Ca2(SO4)3 nanoparticles.

PubMed

Salah, Numan; Habib, Sami S; Khan, Zishan H

2010-09-01

Quantum confinement effect on the energy levels of Eu(2+) doped K(2)Ca(2)(SO(4))(3) nanoparticles has been observed. The broad photoluminescence (PL) emission band of Eu(2+) doped K(2)Ca(2)(SO(4))(3) microcrystalline sample observed at ∼436 nm is found to split into two narrow well resolved bands, located at 422 and 445 nm in the nanostructure form of this material. This has been attributed to the reduction in the crystal field strength of the nanomaterials, which results in widening the energy band gap and splitting the broad 4f(6)5d energy level of Eu(2+). Energy band gap values of the micro and nanocrystalline K(2)Ca(2)(SO(4))(3) samples were also determined by measuring the UV-visible absorption spectra. These values are 3.34 and 3.44 eV for the micro and nanocrystalline samples, respectively. These remarkable results suggest that activators having wide emission bands might be subjected to weak crystal strength via nanostructure materials to modify their electronic transitions. This might prove a powerful technique for producing new-advanced materials for use in the fields of solid state lasers and optoelectronic devises.

Analysis of light propagation in quasiregular and hybrid Rudin-Shapiro one-dimensional photonic crystals with superconducting layers

NASA Astrophysics Data System (ADS)

Gómez-Urrea, H. A.; Escorcia-García, J.; Duque, C. A.; Mora-Ramos, M. E.

2017-11-01

The transmittance spectrum of a one-dimensional hybrid photonic crystal built from the suitable arrangement of periodic and quasiregular Rudin-Shapiro heterolayers that include superconducting slabs is investigated. The four-layer Rudin-Shapiro structure is designed with three lossless dielectric layers and a low-temperature superconductor one. The dielectric function of the superconducting layer is modeled by the two-fluid Gorter-Casimir theory, and the transmittance is calculated with the use of the transfer matrix method. The obtained results reveal the presence of a cut-off frequency fc - a forbidden frequency band for propagation - that can be manipulated by changing the width of the superconducting layer, the temperature and the order of the Rudin-Shapiro sequence. In addition, the spatial distribution of the electric field amplitude for the propagating TM modes is also discussed. It is found that the maximum of localized electric field relative intensity - which reaches a value of several tens - corresponds to the frequency values above to the cut-off frequency, at which, the effective dielectric function of the hybrid unit cell becomes zero. The proposed structure could be another possible system for optical device design for temperature-dependent optical devices such as stop-band filters, or as bolometers.

Energetics of defects formation and oxygen migration in pyrochlore compounds from first principles calculations

NASA Astrophysics Data System (ADS)

Li, Yan; Kowalski, Piotr M.

2018-07-01

In order to get better understanding of the selective order-disorder transition in pyrochlore compounds, using ab initio methods we calculated the formation energies of coupled cation anti-site and anion Frenkel pair defects and the energy barriers for the oxygen migration for number of families of A2B2 O7 pyrochlore-type compounds. While these parameters have been previously computed with force field-based methods, the ab initio results provide more reliable values that can be confidently used in subsequent analysis. We found a fairly good correlation between the formation energies of the coupled defects and the stability field of pyrochlores. In line with previous studies, the compounds that crystallize in defect fluorite structure are found to have smaller values of coupled defect formation energies than those crystallizing in the pyrochlore phase, although the correlation is not that sharp as in the case of isolated anion Frenkel pair defect. The investigation of the energy barriers for the oxygen migration shows that it is not a good, sole indicator of the tendency of the order-disorder phase transition in pyrochlores. However, we found that the oxygen migration barrier is reduced in the presence of the cation antisite defect. This points at disordering-induced enhancement of oxygen diffusion in pyrochlore compounds.

Fabrication of tantalum and nitrogen codoped ZnO (Ta, N-ZnO) thin films using the electrospay: twin applications as an excellent transparent electrode and a field emitter.

PubMed

Mahmood, Khalid; Park, Seung Bin; Sung, Hyung Jin

2013-05-01

The realization of stable p-type nitrogen-doped ZnO thin films with durable and controlled growth is important for the fabrication of nanoscale electronic and optoelectronic devices. ZnO thin films codoped with tantalum and nitrogen (Ta, N-ZnO) were fabricated by using the electrospraying method at an atmospheric pressure. X-ray diffraction (XRD) studies demonstrated that all the prepared films were polycrystalline in nature with hexagonal wurtzite structure. In addition, a shift in the XRD patterns was observed, and the crystal orientation was changed at a certain amount of nitrogen (>6 at.%) in the starting solution. Analysis of X-ray diffraction patterns and X-ray photoelectron spectra revealed that nitrogen which was combined with the zinc atom (N-Zn) was successfully doped into the ZnO crystal lattice. It was also observed that 2 at.% tantalum and 6 at.% nitrogen (2 at.% Ta and 6 at.% N) were the optimal dopant amounts to achieve the minimum resistivity of about 9.70 × 10(-5) Ω cm and the maximum transmittance of 98% in the visible region. Consequently, the field-emission characteristics of such a Ta, N-ZnO emitter can exhibit the higher current density of 1.33 mA cm(-2), larger field-enhancement factor (β) of 4706, lower turn-on field of 2.6 V μm(-1), and lower threshold field of 3.5 V μm(-1) attributed to the enhanced conductivity and better crystallinity of films. Moreover, the obtained values of resistivity were closest to the lowest resistivity values among the doped ZnO films as well as to the indium tin oxide (ITO) resistivity values that were previously studied. We confirmed that the tantalum and nitrogen atoms substitution in the ZnO lattice induced positive effects in terms of enhancing the free carrier concentration which will further improve the electrical, optical, and field-emission properties. The proposed electrospraying method was well suitable for the fabrication of Ta, N-ZnO thin films at optimum conditions with superior electrical, optical, and field-emission characteristics, implying the potential applications as both a transparent electrode and field-emission (FE) devices.

ptchg: A FORTRAN program for point-charge calculations of electric field gradients (EFGs)

NASA Astrophysics Data System (ADS)

Spearing, Dane R.

1994-05-01

ptchg, a FORTRAN program, has been developed to calculate electric field gradients (EFG) around an atomic site in crystalline solids using the point-charge direct-lattice summation method. It uses output from the crystal structure generation program Atoms as its input. As an application of ptchg, a point-charge calculation of the EFG quadrupolar parameters around the oxygen site in SiO 2 cristobalite is demonstrated. Although point-charge calculations of electric field gradients generally are limited to ionic compounds, the computed quadrupolar parameters around the oxygen site in SiO 2 cristobalite, a highly covalent material, are in good agreement with the experimentally determined values from nuclear magnetic resonance (NMR) spectroscopy.

Exceptionally large magneto-optical response in dispersions of plate-like nanocrystallites and magnetic nanoparticles

NASA Astrophysics Data System (ADS)

May, Kathrin; Eremin, Alexey; Stannarius, Ralf; Szabó, Balázs; Börzsönyi, Tamás; Appel, Ingo; Behrens, Silke; Klein, Susanne

2017-06-01

We introduce a binary colloidal system with an exceptionally strong magneto-optical response. Its induced optical birefringence at even low magnetic fields (in the mT range) reaches a value with the same order of magnitude as that of nematic liquid crystals. This system is based on a binary mixture of plate-like, non-magnetic pigment nanoparticles and a small volume fraction (< 1 v %) of spherical magnetic nanoparticles. In the field-free state, the suspension is isotropic. Birefringence is caused by an alignment of the pigment platelets, commanded by shape-anisotropic agglomerates of the magnetic nanoparticles in an external magnetic field. We give a semiquantitative discussion about this.

Magnetic Field Control of Cycloidal Domains and Electric Polarization in Multiferroic BiFeO3

NASA Astrophysics Data System (ADS)

Bordács, S.; Farkas, D. G.; White, J. S.; Cubitt, R.; DeBeer-Schmitt, L.; Ito, T.; Kézsmárki, I.

2018-04-01

The magnetic field induced rearrangement of the cycloidal spin structure in ferroelectric monodomain single crystals of the room-temperature multiferroic BiFeO3 is studied using small-angle neutron scattering. The cycloid propagation vectors are observed to rotate when magnetic fields applied perpendicular to the rhombohedral (polar) axis exceed a pinning threshold value of ˜5 T . In light of these experimental results, a phenomenological model is proposed that captures the rearrangement of the cycloidal domains, and we revisit the microscopic origin of the magnetoelectric effect. A new coupling between the magnetic anisotropy and the polarization is proposed that explains the recently discovered magnetoelectric polarization perpendicular to the rhombohedral axis.

High-quality single-crystal thulium iron garnet films with perpendicular magnetic anisotropy by off-axis sputtering

NASA Astrophysics Data System (ADS)

Wu, C. N.; Tseng, C. C.; Lin, K. Y.; Cheng, C. K.; Yeh, S. L.; Fanchiang, Y. T.; Hong, M.; Kwo, J.

2018-05-01

High-quality single-crystal thulium iron garnet (TmIG) films of 10-30 nm thick were grown by off-axis sputtering at room temperature (RT) followed by post-annealing. X-ray photoelectron spectroscopy (XPS) was employed to determine the TmIG film composition to optimize the growth conditions, along with the aid of x-ray diffraction (XRD) structural analysis and atomic force microscope (AFM) for surface morphology. The optimized films exhibited perpendicular magnetic anisotropy (PMA) and the saturation magnetization at RT was ˜99 emu/cm3, close to the RT bulk value ˜110 emu/cm3 with a very low coercive field of ˜2.4 Oe. We extracted the H⊥ of 1734 Oe and the peak-to-peak linewidth ΔH of ferromagnetic resonance are only about 99 Oe, significantly lower than that of PLD grown TmIG film and bulk single crystals. The high-quality sputtered single-crystal TmIG films show great potential to be integrated with topological insulators or heavy metals with strong spin-orbit coupling for spintronic applications.

Giant anisotropy of magnetocaloric effect in TbMnO3 single crystals

NASA Astrophysics Data System (ADS)

Jin, Jin-Ling; Zhang, Xiang-Qun; Li, Guo-Ke; Cheng, Zhao-Hua; Zheng, Lin; Lu, Yi

2011-05-01

The magnetocaloric effect (MCE) in TbMnO3 single crystals was investigated by isothermal magnetization curves for the ab plane at low temperatures. Large magnetic entropy change, ΔSM = -18.0 J/kg K, and the refrigerant capacity, RC = 390.7 J/kg, are achieved near the ordering temperature of Tb3+ moment (TNTb) under 70 kOe along the a axis. Furthermore, the TbMnO3 single crystal exhibits a giant MCE anisotropy. The difference of ΔSMand RC between the a and b axes is field and temperature dependent, which reaches maximum values of 11.4 J/kg K and 304.1 J/kg, respectively. By taking magnetocrystalline anisotropy into account, the rotating ΔSMwithin the ab plane can be well simulated, indicating that the anisotropy of ΔSMis directly contributed from the magnetocrystalline anisotropy. Our finding for giant MCE anisotropy in TbMnO3 single crystals explores the possibility of using this material for magnetic refrigerators by rotating its magnetization vector rather than moving it in and out of the magnet.

Study of Fluid Flow Control in Protein Crystallization using Strong Magnetic Fields

NASA Astrophysics Data System (ADS)

Ramachandran, Narayanan; Leslie, Fred; Ciszak, Ewa

2002-11-01

An important component in biotechnology, particularly in the area of protein engineering and rational drug design is the knowledge of the precise three-dimensional molecular structure of proteins. The quality of structural information obtained from X-ray diffraction methods is directly dependent on the degree of perfection of the protein crystals. As a consequence, the growth of high quality macromolecular crystals for diffraction analyses has been the central focus for biochemists, biologists, and bioengineers. Macromolecular crystals are obtained from solutions that contain the crystallizing species in equilibrium with higher aggregates, ions, precipitants, other possible phases of the protein, foreign particles, the walls of the container, and a likely host of other impurities. By changing transport modes in general, i.e., reduction of convection and sedimentation, as is achieved in "microgravity", researchers have been able to dramatically affect the movement and distribution of macromolecules in the fluid, and thus their transport, formation of crystal nuclei, and adsorption to the crystal surface. While a limited number of high quality crystals from space flights have been obtained, as the recent National Research Council (NRC) review of the NASA microgravity crystallization program pointed out, the scientific approach and research in crystallization of proteins has been mainly empirical yielding inconclusive results. We postulate that we can reduce convection in ground-based experiments and we can understand the different aspects of convection control through the use of strong magnetic fields and field gradients. Whether this limited convection in a magnetic field will provide the environment for the growth of high quality crystals is still a matter of conjecture that our research will address. The approach exploits the variation of fluid magnetic susceptibility with concentration for this purpose and the convective damping is realized by appropriately positioning the crystal growth cell so that the magnetic susceptibility force counteracts terrestrial gravity. The general objective is to test the hypothesis of convective control using a strong magnetic field and magnetic field gradient and to understand the nature of the various forces that come into play. Specifically we aim to delineate causative factors and to quantify them through experiments, analysis and numerical modeling. Once the basic understanding is obtained, the study will focus on testing the hypothesis on proteins of pyruvate dehydrogenase complex (PDC), proteins E1 and E3. Obtaining high crystal quality of these proteins is of great importance to structural biologists since their structures need to be determined. Specific goals for the investigation are: 1. To develop an understanding of convection control in diamagnetic fluids with concentration gradients through experimentation and numerical modeling. Specifically solutal buoyancy driven convection due to crystal growth will be considered. 2. To develop predictive measures for successful crystallization in a magnetic field using analyses and numerical modeling for use in future protein crystal growth experiments. This will establish criteria that can be used to estimate the efficacy of magnetic field flow damping on crystallization of candidate proteins. 3. To demonstrate the understanding of convection damping by high magnetic fields to a class of proteins that is of interest and whose structure is as yet not determined. 4. To compare quantitatively, the quality of the grown crystals with and without a magnetic field. X-ray diffraction techniques will be used for the comparative studies. In a preliminary set of experiments, we studied crystal dissolution effects in a 5 Tesla magnet available at NASA Marshall Space Flight Center (MSFC). Using a Schlieren setup, a 1mm crystal of Alum (Aluminum-Potassium Sulfate) was introduced in a 75% saturated solution and the resulting dissolution plume was observed. The experiment was conducted both in the presence and absence of a magnetic field gradient. The magnet produces a gradient field of approx. 1 Tesla2/cm. Image analysis of the recorded images indicated an enhanced plume velocity that was of the order of the measurement limit. For this experiment, both the gradient and gravity fields are in the same direction resulting in an enhanced effective gravity that tends to accelerate the observed plume velocity. While the results are not conclusive, pending further tests, it clearly points out the inadequacy of the MSFC magnet for conducting protein crystallization experiments and the need for a stronger magnet. In spacebased experiments, however, where the gravitational effects are small, only a weak magnetic field will be required to control or mitigate the effects of convective contamination.

Study of Fluid Flow Control in Protein Crystallization using Strong Magnetic Fields

NASA Technical Reports Server (NTRS)

Ramachandran, Narayanan; Leslie, Fred; Ciszak, Ewa

2002-01-01

An important component in biotechnology, particularly in the area of protein engineering and rational drug design is the knowledge of the precise three-dimensional molecular structure of proteins. The quality of structural information obtained from X-ray diffraction methods is directly dependent on the degree of perfection of the protein crystals. As a consequence, the growth of high quality macromolecular crystals for diffraction analyses has been the central focus for biochemists, biologists, and bioengineers. Macromolecular crystals are obtained from solutions that contain the crystallizing species in equilibrium with higher aggregates, ions, precipitants, other possible phases of the protein, foreign particles, the walls of the container, and a likely host of other impurities. By changing transport modes in general, i.e., reduction of convection and sedimentation, as is achieved in "microgravity", researchers have been able to dramatically affect the movement and distribution of macromolecules in the fluid, and thus their transport, formation of crystal nuclei, and adsorption to the crystal surface. While a limited number of high quality crystals from space flights have been obtained, as the recent National Research Council (NRC) review of the NASA microgravity crystallization program pointed out, the scientific approach and research in crystallization of proteins has been mainly empirical yielding inconclusive results. We postulate that we can reduce convection in ground-based experiments and we can understand the different aspects of convection control through the use of strong magnetic fields and field gradients. Whether this limited convection in a magnetic field will provide the environment for the growth of high quality crystals is still a matter of conjecture that our research will address. The approach exploits the variation of fluid magnetic susceptibility with concentration for this purpose and the convective damping is realized by appropriately positioning the crystal growth cell so that the magnetic susceptibility force counteracts terrestrial gravity. The general objective is to test the hypothesis of convective control using a strong magnetic field and magnetic field gradient and to understand the nature of the various forces that come into play. Specifically we aim to delineate causative factors and to quantify them through experiments, analysis and numerical modeling. Once the basic understanding is obtained, the study will focus on testing the hypothesis on proteins of pyruvate dehydrogenase complex (PDC), proteins E1 and E3. Obtaining high crystal quality of these proteins is of great importance to structural biologists since their structures need to be determined. Specific goals for the investigation are: 1. To develop an understanding of convection control in diamagnetic fluids with concentration gradients through experimentation and numerical modeling. Specifically solutal buoyancy driven convection due to crystal growth will be considered. 2. To develop predictive measures for successful crystallization in a magnetic field using analyses and numerical modeling for use in future protein crystal growth experiments. This will establish criteria that can be used to estimate the efficacy of magnetic field flow damping on crystallization of candidate proteins. 3. To demonstrate the understanding of convection damping by high magnetic fields to a class of proteins that is of interest and whose structure is as yet not determined. 4. To compare quantitatively, the quality of the grown crystals with and without a magnetic field. X-ray diffraction techniques will be used for the comparative studies. In a preliminary set of experiments, we studied crystal dissolution effects in a 5 Tesla magnet available at NASA Marshall Space Flight Center (MSFC). Using a Schlieren setup, a 1mm crystal of Alum (Aluminum-Potassium Sulfate) was introduced in a 75% saturated solution and the resulting dissolution plume was observed. The experiment was conducted both in the presence and absence of a magnetic field gradient. The magnet produces a gradient field of approx. 1 Tesla2/cm. Image analysis of the recorded images indicated an enhanced plume velocity that was of the order of the measurement limit. For this experiment, both the gradient and gravity fields are in the same direction resulting in an enhanced effective gravity that tends to accelerate the observed plume velocity. While the results are not conclusive, pending further tests, it clearly points out the inadequacy of the MSFC magnet for conducting protein crystallization experiments and the need for a stronger magnet. In spacebased experiments, however, where the gravitational effects are small, only a weak magnetic field will be required to control or mitigate the effects of convective contamination.

Paradoxes of the influence of small Ni impurity additions in a NaCl crystal on the kinetics of its magnetoplasticity

NASA Astrophysics Data System (ADS)

Alshits, V. I.; Darinskaya, E. V.; Koldaeva, M. V.; Petrzhik, E. A.

2016-01-01

A comparative study of magnetoplasticity in two types of NaCl crystals differing in impurity content only by a small Ni addition (0.06 ppm) in one of them, NaCl(Ni), has been carried out. Two methods of sample magnetic exposure were used: in a constant field B = 0-0.6 T and in crossed fields in the EPR scheme—the Earth's field B Earth (50 μT) and a variable pumping field tilde B( ˜ 1 μ T) at frequencies ν 1 MHz. In the experiments in the EPR scheme, the change of the field orientation from tilde B bot B_{Earth} to . {tilde B} |B_{Earth} led to almost complete suppression of the effect in the NaCl(Ni) crystals and reduced only slightly (approximately by 20%) the height of the resonance peak of dislocation mean paths in the crystals without Ni, with the amplitude of the mean paths in NaCl(Ni) in the orientation tilde B bot B_{Earth} having been appreciably lower than that in NaCl. In contrast, upon exposure to a constant magnetic field, a more intense effect was observed in the crystal with Ni. The threshold pumping field amplitude tilde B, below which the effect is absent under resonance conditions, for the NaCl(Ni) crystals turned out to be a factor of 5 smaller than that for NaCl, while the thresholds of a constant magnetic field coincide for both types of crystals. All these differences are discussed in detail and interpreted.

Color changing plasmonic surfaces utilizing liquid crystal (Conference Presentation)

NASA Astrophysics Data System (ADS)

Franklin, Daniel; Wu, Shin-Tson; Chanda, Debashis

2016-09-01

Plasmonic structural color has recently garnered significant interest as an alternative to the organic dyes standard in print media and liquid crystal displays. These nanostructured metallic systems can produce diffraction limited images, be made polarization dependent, and exhibit resistance to color bleaching. Perhaps even more advantageous, their optical characteristics can also be tuned, post-fabrication, by altering the surrounding media's refractive index parallel to the local plasmonic fields. A common material with which to achieve this is liquid crystal. By reorienting the liquid crystal molecules through external electric fields, the optical resonances of the plasmonic filters can be dynamically controlled. Demonstrations of this phenomenon, however, have been limited to modest shifts in plasmon resonance. Here, we report a liquid crystal-plasmonic system with an enhanced tuning range through the use of a shallow array of nano-wells and high birefringent liquid crystal. The continuous metallic nanostructure maximizes the overlap between plasmonic fields and liquid crystal while also allowing full reorientation of the liquid crystal upon an applied electric field. Sweeping over structural dimensions and voltages results in a color palette for these dynamic reflective pixels that can further be exploited to create color tunable images. These advances make plasmonic-liquid crystal systems more attractive candidates for filter, display, and other tunable optical technologies.

Top value platform chemicals: bio-based production of organic acids.

PubMed

Becker, Judith; Lange, Anna; Fabarius, Jonathan; Wittmann, Christoph

2015-12-01

Driven by the quest for sustainability, recent years have seen a tremendous progress in bio-based production routes from renewable raw materials to commercial goods. Particularly, the production of organic acids has crystallized as a competitive and fast-evolving field, related to the broad applicability of organic acids for direct use, as polymer building blocks, and as commodity chemicals. Here, we review recent advances in metabolic engineering and industrial market scenarios with focus on organic acids as top value products from biomass, accessible through fermentation and biotransformation. Copyright © 2015 Elsevier Ltd. All rights reserved.

Growth and characterization of pure and Cadmium chloride doped KDP Crystals grown by gel medium

NASA Astrophysics Data System (ADS)

Kalaivani, M. S.; Asaithambi, T.

2016-10-01

Crystal growth technology provides an important basis for many industrial branches. Crystals are the unrecognized pillars of modern technology. Without crystals, there is no electronic industry, no photonic industry, and no fiber optic communications. Single crystals play a major role and form the strongest base for the fast growing field of engineering, science and technology. Crystal growth is an interdisciplinary subject covering physics, chemistry, material science, chemical engineering, metallurgy, crystallography, mineralogy, etc. In past few decades, there has been a keen interest on crystal growth processes, particularly in view of the increasing demand of materials for technological applications. Optically good quality pure and metal doped KDP crystals have been grown by gel method at room temperature and their characterization have been studied. Gel method is a much uncomplicated method and can be utilized to synthesize crystals which are having low solubility. Potassium dihydrogen orthophosphate KH2PO4 (KDP) continues to be an interesting material both academically and industrially. KDP is a representative of hydrogen bonded materials which possess very good electro - optic and nonlinear optical properties in addition to interesting electrical properties. Due to this interesting properties, we made an attempt to grow pure and cadmium chloride doped KDP crystals in various concentrations (0.002, 0.004, 0.006, 0.008 and 0.010) using gel method. The grown crystals were collected after 20 days. We get crystals with good quality and shaped. The dc electrical conductivity (resistance, capacitance and dielectric constant) values were measured at frequencies in the range of 1 KHZ and 100 HZ of pure and cadmium chloride added crystal with a temperature range of 400C to 1300C using simple two probe setup with Q band digital LCR meter present in our lab. The electrical conductivity increases with increase of temperature. The dielectric constants of metal doped KDP crystals were slightly decreased compared to pure KDP crystals.

Using Strong Magnetic Fields to Control Solutal Convection

NASA Technical Reports Server (NTRS)

Ramachandran, N.; Leslie, F. W.

2003-01-01

An important component in biotechnology, particularly in the area of protein engineering and rational drug design is the knowledge of the precise three-dimensional molecular structure of proteins. The quality of structural information obtained from X-ray diffraction methods is directly dependent on the degree of perfection of the protein crystals. As a consequence, the growth of high quality macromolecular crystals for diffraction analyses has been the central focus for biochemists, biologists, and bioengineers. Macromolecular crystals are obtained from solutions that contain the crystallizing species in equilibrium with higher aggregates, ions, precipitants, other possible phases of the protein, foreign particles, the walls of the container, and a likely host of other impurities. By changing transport modes in general, i.e., reduction of convection and sedimentation, as is achieved in microgravity , we have been able to dramatically affect the movement and distribution of macromolecules in the fluid, and thus their transport, formation of crystal nuclei, and adsorption to the crystal surface. While a limited number of high quality crystals from space flights have been obtained, as the recent National Research Council (NRC) review of the NASA microgravity crystallization program pointed out, the scientific approach and research in crystallization of proteins has been mainly empirical yielding inconclusive results. We postulate that we can reduce convection in ground-based experiments and we can understand the different aspects of convection control through the use of strong magnetic fields and field gradients. We postulate that limited convection in a magnetic field will provide the environment for the growth of high quality crystals. The approach exploits the variation of fluid magnetic susceptibility with concentration for this purpose and the convective damping is realized by appropriately positioning the crystal growth cell so that the magnetic susceptibility force counteracts terrestrial gravity. The general objective is to test the hypothesis of convective control using a strong magnetic field and magnetic field gradient and to understand the nature of the various forces that come into play. Specifically we aim to delineate causative factors and to quantify them through experiments, analysis and numerical modeling. The paper will report on the experimental results using paramagnetic salts and solutions in magnetic fields and compare them to analytical predictions.

Theoretical studies of the EPR parameters and local structures for Cu2+-doped cobalt ammonium phosphate hexahydrate

NASA Astrophysics Data System (ADS)

Li, Chao-Ying; Liu, Shi-Fei; Fu, Jin-Xian

2015-11-01

High-order perturbation formulas for a 3d9 ion in rhombically elongated octahedral was applied to calculate the electron paramagnetic resonance (EPR) parameters (the g factors, gi, and the hyperfine structure constants Ai, i = x, y, z) of the rhombic Cu2+ center in CoNH4PO4.6H2O. In the calculations, the required crystal-field parameters are estimated from the superposition model which enables correlation of the crystal-field parameters and hence the EPR parameters with the local structure of the rhombic Cu2+ center. Based on the calculations, the ligand octahedral (i.e. [Cu(H2O)6]2+ cluster) are found to experience the local bond length variations ΔZ (≈0.213 Å) and δr (≈0.132 Å) along axial and perpendicular directions due to the Jahn-Teller effect. Theoretical EPR parameters based on the above local structure are in good agreement with the observed values; the results are discussed.

Enhanced dual-frequency operation of a polymerized liquid crystal microplate by liquid crystal infiltration

NASA Astrophysics Data System (ADS)

Kumagai, Takayuki; Yoshida, Hiroyuki; Ozaki, Masanori

2017-04-01

The electric-field-induced switching behavior of a polymer microplate is investigated. A microplate fabricated with a photopolymerizable dual-frequency liquid crystal was surrounded by an unpolymerized photopolymerizable dual-frequency liquid crystal in the isotropic phase. As an electric field was applied along the plane of the microplate, the microplate switched to set its interior molecular orientation to be either parallel or perpendicular to the field, depending on the frequency. Analysis of the rotational behavior, as well as numerical calculations, showed that the surrounding unpolymerized photopolymerizable dual-frequency liquid crystal infiltrated into the microplate, which enhanced the dielectric properties of the microplate. To the best of our knowledge, this is the first report of an enhanced dual-frequency dielectric response of a polymer microplate induced by liquid crystal infiltration.

radiation and electric field induced effects on the order-disorder phase in lithium sodium sulphate crystals

NASA Astrophysics Data System (ADS)

Hamed, A. E.; Kassem, M. E.; El-Wahidy, E. F.; El-Abshehy, M. A.

1995-03-01

The temperature dependence of specific heat at constant pressure, Cp(T), has been measured for lithium sodium sulphate, LiNaSo4 crystals, at different ?-radiation doses and external bias electric field (Eb), in the temperature range 300-900 K. A nonlinear dependence of transition temperature, T1 and a remarkable change in the thermodynamic parameters, were obtained as the effect of both electric field and ?-radiation. The effect of ?-radiation doses on the phase transition in LiNaSO4 crystals was explained as due to an internal bias field, Eb, originating from the interaction of polar defects with the order parameter of the host lattice. The internal bias field effect on the behaviour of Cp(T) in LiNaSO4 crystals was similar to that of the external electric field (E).

Anisotropic Laminar Piezocomposite Actuator Incorporating Machined PMN-PT Single Crystal Fibers

NASA Technical Reports Server (NTRS)

Wilkie, W. Keats; Inman, Daniel J.; Lloyd, Justin M.; High, James W.

2006-01-01

The design, fabrication, and testing of a flexible, laminar, anisotropic piezoelectric composite actuator utilizing machined PMN-32%PT single crystal fibers is presented. The device consists of a layer of rectangular single crystal piezoelectric fibers in an epoxy matrix, packaged between interdigitated electrode polyimide films. Quasistatic free-strain measurements of the single crystal device are compared with measurements from geometrically identical specimens incorporating polycrystalline PZT-5A and PZT-5H piezoceramic fibers. Free-strain actuation of the single crystal actuator at low bipolar electric fields (+/- 250 V/mm) is approximately 400% greater than that of the baseline PZT-5A piezoceramic device, and 200% greater than that of the PZT-5H device. Free-strain actuation under high unipolar electric fields (0-4kV/mm) is approximately 200% of the PZT-5A baseline device, and 150% of the PZT-5H alternate piezoceramic device. Performance increases at low field are qualitatively consistent with predicted increases based on scaling the low-field d33 piezoelectric constants of the respective piezoelectric materials. High-field increases are much less than scaled d33 estimates, but appear consistent with high-field freestrain measurements reported for similar bulk single-crystal and piezoceramic compositions. Measurements of single crystal actuator capacitance and coupling coefficient are also provided. These properties were poorly predicted using scaled bulk material dielectric and coupling coefficient data. Rules-of-mixtures calculations of the effective elastic properties of the single crystal device and estimated actuation work energy densities are also presented. Results indicate longitudinal stiffnesses significantly lower (50% less) than either piezoceramic device. This suggests that single-crystal piezocomposite actuators will be best suited to low induced-stress, high strain and deflection applications.

Anisotropic Piezocomposite Actuator Incorporating Machined PMN-PT Single Crystal Fibers

NASA Technical Reports Server (NTRS)

Wilkie, W. Keats; Inman, Daniel J.; Lloyd, Justin M.; High, James W.

2004-01-01

The design, fabrication, and testing of a flexible, planar, anisotropic piezoelectric composite actuator utilizing machined PMN-32%PT single crystal fibers is presented. The device consists of a layer of rectangular single crystal piezoelectric fibers in an epoxy matrix, packaged between interdigitated electrode polyimide films. Quasistatic free-strain measurements of the single crystal device are compared with measurements from geometrically identical specimens incorporating polycrystalline PZT-5A and PZT-5H piezoceramic fibers. Free-strain actuation of the single crystal actuator at low bipolar electric fields (+/- 250 V/mm) is approximately 400% greater than that of the baseline PZT-5A piezoceramic device, and 200% greater than that of the PZT-5H device. Free-strain actuation under high unipolar electric fields (0-4kV/mm) is approximately 200% of the PZT-5A baseline device, and 150% of the PZT-5H alternate piezoceramic device. Performance increases at low field are qualitatively consistent with predicted increases based on scaling the low-field d(sub 33) piezoelectric constants of the respective piezoelectric materials. High-field increases are much less than scaled d(sub 33) estimates, but appear consistent with high-field freestrain measurements reported for similar bulk single-crystal and piezoceramic compositions. Measurements of single crystal actuator capacitance and coupling coefficient are also provided. These properties were poorly predicted using scaled bulk material dielectric and coupling coefficient data. Rules-of-mixtures calculations of the effective elastic properties of the single crystal device and estimated actuation work energy densities are also presented. Results indicate longitudinal stiffnesses significantly lower (50% less) than either piezoceramic device. This suggests that single-crystal piezocomposite actuators will be best suited to low induced-stress, high strain and deflection applications.

Electrostrain in excess of 1% in polycrystalline piezoelectrics

NASA Astrophysics Data System (ADS)

Narayan, Bastola; Malhotra, Jaskaran Singh; Pandey, Rishikesh; Yaddanapudi, Krishna; Nukala, Pavan; Dkhil, Brahim; Senyshyn, Anatoliy; Ranjan, Rajeev

2018-05-01

Piezoelectric actuators transform electrical energy into mechanical energy, and because of their compactness, quick response time and accurate displacement, they are sought after in many applications. Polycrystalline piezoelectric ceramics are technologically more appealing than single crystals due to their simpler and less expensive processing, but have yet to display electrostrain values that exceed 1%. Here we report a material design strategy wherein the efficient switching of ferroelectric-ferroelastic domains by an electric field is exploited to achieve a high electrostrain value of 1.3% in a pseudo-ternary ferroelectric alloy system, BiFeO3-PbTiO3-LaFeO3. Detailed structural investigations reveal that this electrostrain is associated with a combination of several factors: a large spontaneous lattice strain of the piezoelectric phase, domain miniaturization, a low-symmetry ferroelectric phase and a very large reverse switching of the non-180° domains. This insight for the design of a new class of polycrystalline piezoceramics with high electrostrains may be useful to develop alternatives to costly single-crystal actuators.

Development and application of an exchange model for anisotropic water diffusion in the microporous MOF aluminum fumarate

NASA Astrophysics Data System (ADS)

Splith, Tobias; Fröhlich, Dominik; Henninger, Stefan K.; Stallmach, Frank

2018-06-01

Diffusion of water in aluminum fumarate was studied by means of pulsed field gradient (PFG) nuclear magnetic resonance (NMR). Due to water molecules exchanging between the intracrystalline anisotropic pore space and the isotropic intercrystalline void space the model of intracrystalline anisotropic diffusion fails to describe the experimental PFG NMR data at high observation times. Therefore, the two-site exchange model developed by Kärger is extended to the case of exchange between an anisotropic and an isotropic site. This extended exchange model is solved by numerical integration. It describes the experimental data very well and yields values for the intracrystalline diffusion coefficient and the mean residence times of the respective sites. Further PFG NMR studies were performed with coatings consisting of small aluminum fumarate crystals, which are used in adsorptive heat transformation applications. The diffusion coefficients of water in the small crystal coating are compared to the values expected from the extended two-site exchange model and from the model of long-range diffusion.

Quartz Crystal Microbalance: Aerosol Viscoelastic Measurement Calibration and Subsiquent H2O Uptake

NASA Astrophysics Data System (ADS)

Farland, D. R., Jr.; Gilles, M. K.; Harder, T.; Weis, J.; Mueller, S.

2015-12-01

Aerosol particles exposed to various atmospheric relative humidity (RH) levels exhibit hygroscopic properties which are not fully understood. Water adsorption or diffusion depends on particle viscosity in semi-solid to liquid states. This relationship between particle viscosity as a function of RH and the corresponding hygroscopic behavioral response is the purpose of this study. However, reliable techniques for viscosity quantification have been limited. A Quartz Crystal Microbalance with Dissipation (QCM-D) was used for viscosity measurements and to determine phase changes. Prior to studies on field samples, microscope immersion/viscosity standard oils, salt crystals, sugars and alpha-pinene secondary organic aerosol (SOA) surrogates are used for viscosity, RH calibrations, water uptake and phase change measurements. RH was controlled by flowing N2 gas saturated with H2O for RH's between 0-75% RH. For higher RH values, (75-100% RH range) saturated salt solutions were flowed over a gore membrane to protect the QCM sensor from direct contact with the solutions. The viscosity calibration constructed via QTools fitting software illustrates the limitations as well as the ranges of reliability of the QCM viscosity measurements. Deliquescing salt crystals of differing deliquescence relative humidity's (DRH), sugars and alpha-pinene SOA's provided insight into the detection of various phase change behaviors. Water uptake experiments performed on alpha-pinene SOA and sucrose sugar yielded significantly different frequency and dissipation responses than the deliquescing salts. Future work will apply these experimental methods and analysis on aerosol particles collected during the GoAmazon field campaign.

Field induced heliconical structure of cholesteric liquid crystal

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

Lavrentovich, Oleg D.; Shiyanovsii, Sergij V.; Xiang, Jie

A diffraction grating comprises a liquid crystal (LC) cell configured to apply an electric field through a cholesteric LC material that induces the cholesteric LC material into a heliconical state with an oblique helicoid director. The applied electric field produces diffracted light from the cholesteric LC material within the visible, infrared or ultraviolet. The axis of the heliconical state is in the plane of the liquid crystal cell or perpendicular to the plane, depending on the application. A color tuning device operates with a similar heliconical state liquid crystal material but with the heliconical director axis oriented perpendicular to themore » plane of the cell. A power generator varies the strength of the applied electric field to adjust the wavelength of light reflected from the cholesteric liquid crystal material within the visible, infrared or ultraviolet.« less

Models of Mass Transport During Microgravity Crystal Growth of Alloyed Semiconductors in a Magnetic Field

NASA Technical Reports Server (NTRS)

Ma, Nancy

2003-01-01

Alloyed semiconductor crystals, such as germanium-silicon (GeSi) and various II-VI alloyed crystals, are extremely important for optoelectronic devices. Currently, high-quality crystals of GeSi and of II-VI alloys can be grown by epitaxial processes, but the time required to grow a certain amount of single crystal is roughly 1,000 times longer than the time required for Bridgman growth from a melt. Recent rapid advances in optoelectronics have led to a great demand for more and larger crystals with fewer dislocations and other microdefects and with more uniform and controllable compositions. Currently, alloyed crystals grown by bulk methods have unacceptable levels of segregation in the composition of the crystal. Alloyed crystals are being grown by the Bridgman process in space in order to develop successful bulk-growth methods, with the hope that the technology will be equally successful on earth. Unfortunately some crystals grown in space still have unacceptable segregation, for example, due to residual accelerations. The application of a weak magnetic field during crystal growth in space may eliminate the undesirable segregation. Understanding and improving the bulk growth of alloyed semiconductors in microgravity is critically important. The purpose of this grant to to develop models of the unsteady species transport during the bulk growth of alloyed semiconductor crystals in the presence of a magnetic field in microgravity. The research supports experiments being conducted in the High Magnetic Field Solidification Facility at Marshall Space Flight Center (MSFC) and future experiments on the International Space Station.

Nematic topological superconducting phase in Nb-doped Bi2Se3

NASA Astrophysics Data System (ADS)

Shen, Junying; He, Wen-Yu; Yuan, Noah Fan Qi; Huang, Zengle; Cho, Chang-woo; Lee, Seng Huat; Hor, Yew San; Law, Kam Tuen; Lortz, Rolf

2017-10-01

A nematic topological superconductor has an order parameter symmetry, which spontaneously breaks the crystalline symmetry in its superconducting state. This state can be observed, for example, by thermodynamic or upper critical field experiments in which a magnetic field is rotated with respect to the crystalline axes. The corresponding physical quantity then directly reflects the symmetry of the order parameter. We present a study on the superconducting upper critical field of the Nb-doped topological insulator NbxBi2Se3 for various magnetic field orientations parallel and perpendicular to the basal plane of the Bi2Se3 layers. The data were obtained by two complementary experimental techniques, magnetoresistance and DC magnetization, on three different single crystalline samples of the same batch. Both methods and all samples show with perfect agreement that the in-plane upper critical fields clearly demonstrate a two-fold symmetry that breaks the three-fold crystal symmetry. The two-fold symmetry is also found in the absolute value of the magnetization of the initial zero-field-cooled branch of the hysteresis loop and in the value of the thermodynamic contribution above the irreversibility field, but also in the irreversible properties such as the value of the characteristic irreversibility field and in the width of the hysteresis loop. This provides strong experimental evidence that Nb-doped Bi2Se3 is a nematic topological superconductor similar to the Cu- and Sr-doped Bi2Se3.

Near-infrared sensitive photorefractive device using polymer dispersed liquid crystal and BSO:Ru hybrid structure.

PubMed

Liu, Ren Chung; Marinova, Vera; Lin, Shiuan Huei; Chen, Ming-Syuan; Lin, Yi-Hsin; Hsu, Ken Yuh

2014-06-01

A near-infrared sensitive hybrid device, based on a Ru-doped BSO photorefractive substrate and polymer dispersed liquid crystal (PDLC) layer, is reported. It is found that the photoexcited charge carriers generated in the BSO:Ru substrate create an optically induced space charge field, sufficient to penetrate into the PDLC layer and to re-orient the LC molecules inside the droplets. Beam-coupling measurements at the Bragg regime are performed showing prospective amplification values and high spatial resolution. The proposed structure does not require indium tin oxide (ITO) contacts and alignment layers. Such a device allows all the processes to be controlled by light, thus opening further potential for real-time image processing at the near-infrared range.

Experimental study of two-dimensional quantum Wigner solid in zero magnetic field

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

Huang, Jian; Pfeiffer, L. N.; West, K. W.

2014-03-31

At temperatures T → 0, strongly interacting two-dimensional (2D) electron systems manifest characteristic insulating behaviors that are key for understanding the nature of the ground state in light of the interplay between disorder and electron-electron interaction. In contrast to the hopping conductance demonstrated in the insulating side of the metal-to-insulator transition, the ultra-high quality 2D systems exhibit nonactivated T-dependence of the conductivity even for dilute carrier concentrations down to 7×10{sup 8} cm{sup −2}. The apparent metal-to-insulator transition (MIT) occurs for a large r{sub s} value around 40 for which a Wigner Crystalllization is expected. The magnetoresistance for a series ofmore » carrier densities in the vicinity of the transition exhibits a characteristic sign change in weak perpendicular magnetic field. Within the Wigner Crystallization regime (with r{sub s} > 40), we report an experimental observation of a characteristic nonlinear threshold behavior from a high-resolution dc dynamical response as an evidence for aWigner crystallization in high-purity GaAs 2D hole systems in zero magnetic field. The system under an increasing current drive exhibits voltage oscillations with negative differential resistance. They confirm the coexistence of a moving crystal along with striped edge states as observed for electrons on helium surfaces. Moreover, the threshold is well below the typical classical levels due to a different pinning and depinning mechanism that is possibly related to quantum processes.« less

Correlations Between Structural and Magnetic Properties of Co2 FeSi Heusler-Alloy Thin Films

NASA Astrophysics Data System (ADS)

Zhu, Weihua; Wu, Di; Zhao, Bingcheng; Zhu, Zhendong; Yang, Xiaodi; Zhang, Zongzhi; Jin, Q. Y.

2017-09-01

The structural and magnetic properties are the most important parameters for practical applications of Co-based Heusler alloys. The correlations between the crystallization degree, chemical order, magnetic coercivity, saturation magnetization (MS ), and in-plane magnetic anisotropies are systematically investigated for Co2FeSi (CFS) films fabricated at different temperatures (TS ). XRD shows that the CFS layer changes progressively from a disordered crystal structure into a chemically disordered A 2 structure and further into a chemically ordered B 2 and even L 21 structures when increasing TS up to 480 °C . Meanwhile, the static angular remanence magnetization curves show a clear transition of magnetic anisotropy from twofold to fourfold symmetry, due to the competition effect between the uniaxial anisotropy field HU and biaxial anisotropy field HB . The HU value is found to be weakly dependent on TS , while HB shows a continuous enhancement at TS>300 °C , implying that the enhancement of the L 21 ordering degree would not weaken the biaxial anisotropy. The varying trend of HB is similar to MS , which can be respectively attributed to the improved crystal structure and chemical order. The anisotropic fields and their variation behaviors determined by a vibrating sample magnetometer are highly consistent with the results by a time-resolved magneto-optical Kerr effect study. Our findings provide a better understanding of the structural ordering and magnetic anisotropy, which will be helpful for designing advanced spintronic devices.

Transverse anisotropic magnetoresistance effects in pseudo-single-crystal γ'-Fe4N thin films

NASA Astrophysics Data System (ADS)

Kabara, Kazuki; Tsunoda, Masakiyo; Kokado, Satoshi

2016-05-01

Transverse anisotropic magnetoresistance (AMR) effects, for which magnetization is rotated in an orthogonal plane to the current direction, were investigated at various temperatures, in order to clarify the structural transformation from a cubic to a tetragonal symmetry in a pseudo-single-crystal Fe4N film, which is predicted from the usual in-plane AMR measurements by the theory taking into account the spin-orbit interaction and crystal field splitting of 3d bands. According to a phenomenological theory of AMR, which derives only from the crystal symmetry, a cos 2θ component ( C2 tr ) exists in transverse AMR curves for a tetragonal system but does not for a cubic system. In the Fe4N film, the C2 tr shows a positive small value (0.12%) from 300 K to 50 K. However, the C2 t r increases to negative value below 50 K and reaches to -2% at 5 K. The drastic increasing of the C2 tr demonstrates the structural transformation from a cubic to a tetragonal symmetry below 50 K in the Fe4N film. In addition, the out-of-plane and in-plane lattice constants (c and a) were precisely determined with X-ray diffraction at room temperature using the Nelson-Riely function. As a result, the positive small C2 t r above 50 K is attributed to a slightly distorted Fe4N lattice (c/a = 1.002).

Picosecond Electric-Field-Induced Threshold Switching in Phase-Change Materials.

PubMed

Zalden, Peter; Shu, Michael J; Chen, Frank; Wu, Xiaoxi; Zhu, Yi; Wen, Haidan; Johnston, Scott; Shen, Zhi-Xun; Landreman, Patrick; Brongersma, Mark; Fong, Scott W; Wong, H-S Philip; Sher, Meng-Ju; Jost, Peter; Kaes, Matthias; Salinga, Martin; von Hoegen, Alexander; Wuttig, Matthias; Lindenberg, Aaron M

2016-08-05

Many chalcogenide glasses undergo a breakdown in electronic resistance above a critical field strength. Known as threshold switching, this mechanism enables field-induced crystallization in emerging phase-change memory. Purely electronic as well as crystal nucleation assisted models have been employed to explain the electronic breakdown. Here, picosecond electric pulses are used to excite amorphous Ag_{4}In_{3}Sb_{67}Te_{26}. Field-dependent reversible changes in conductivity and pulse-driven crystallization are observed. The present results show that threshold switching can take place within the electric pulse on subpicosecond time scales-faster than crystals can nucleate. This supports purely electronic models of threshold switching and reveals potential applications as an ultrafast electronic switch.

Critical current density, vortex dynamics, and phase diagram of single-crystal FeSe

NASA Astrophysics Data System (ADS)

Sun, Yue; Pyon, Sunseng; Tamegai, Tsuyoshi; Kobayashi, Ryo; Watashige, Tatsuya; Kasahara, Shigeru; Matsuda, Yuji; Shibauchi, Takasada

2015-10-01

We present a comprehensive study of the vortex pinning and dynamics in a high-quality FeSe single crystal which is free from doping-introduced inhomogeneities and charged quasiparticle scattering because of its innate superconductivity. The critical current density Jc is found to be almost isotropic and reaches a value of ˜3 ×104 A /cm2 at 2 K (self-field) for both H ∥c and a b . The normalized magnetic relaxation rate S (=∣d ln M /d ln t ∣ ) shows a temperature-insensitive plateau behavior in the intermediate temperature range with a relatively high creep rate (S ˜ 0.02 under zero field), which is interpreted in the framework of the collective creep theory. A crossover from the elastic to plastic creep is observed, while the fishtail effect is absent for both H ∥c and a b . Based on this observation, the origin of the fishtail effect is also discussed. Combining the results of Jc and S , the vortex motion in the FeSe single crystal is found to be dominated by sparse, strong pointlike pinning from nanometer-sized defects or imperfections. The weak collective pinning is also observed and proved in the form of large bundles. Besides, the vortex phase diagram of FeSe is also constructed and discussed.

Two Beam Energy Exchange in Hybrid Liquid Crystal Cells with Photorefractive Field Controlled Boundary Conditions (Postprint)

DTIC Science & Technology

2016-09-12

AFRL-RX-WP-JA-2017-0209 TWO BEAM ENERGY EXCHANGE IN HYBRID LIQUID CRYSTAL CELLS WITH PHOTOREFRACTIVE FIELD CONTROLLED BOUNDARY...estimated to average 1 hour per response, including the time for reviewing instructions, searching existing data sources, gathering and maintaining the... CRYSTAL CELLS WITH PHOTOREFRACTIVE FIELD CONTROLLED BOUNDARY CONDITIONS (POSTPRINT) 5a. CONTRACT NUMBER FA8650-16-D-5402-0001 5b. GRANT

Organic Crystal Engineering of Thermosetting Cyanate Ester Monomers: Influence of Structure on Melting Point

DTIC Science & Technology

2016-05-27

often discussed in the field of thermosetting materials, crystal engineering1-4 plays a key role in facilitating the successful utilization of these...not to alter the desirable properties of the polymerized networks. Fortunately, the field of crystal engineering provides examples where even very...Chickos and Acree.26 For molecular modeling, methods ranging from atomistic simulations with semi-empirical force fields to density functional

Predictions of thermomagnetic properties of Laves phase compounds: TbAl2, GdAl2 and SmAl2 performed with ATOMIC MATTERS MFA computation system

NASA Astrophysics Data System (ADS)

Michalski, Rafał; Zygadło, Jakub

2018-04-01

Recent calculations of properties of TbAl2 GdAl2 and SmAl2 single crystals, performed with our new computation system called ATOMIC MATTERS MFA are presented. We applied localized electron approach to describe the thermal evolution of Fine Electronic Structure of Tb3+, Gd3+ and Sm3+ ions over a wide temperature range and estimate Magnetocaloric Effect (MCE). Thermomagnetic properties of TbAl2, GdAl2 and SmAl2 were calculated based on the fine electronic structure of the 4f8, 4f7 and 4f5 electronic configuration of the Tb3+ and Gd3+ and Sm3+ ions, respectively. Our calculations yielded: magnetic moment value and direction; single-crystalline magnetization curves in zero field and in external magnetic field applied in various directions m(T,Bext); the 4f-electronic components of specific heat c4f(T,Bext); and temperature dependence of the magnetic entropy and isothermal entropy change with external magnetic field - ΔS(T,Bext). The cubic universal CEF parameters values used for all CEF calculations was taken from literature and recalculated for universal cubic parameters set for the RAl2 series: A4 = +7.164 Ka04 and A6 = -1.038 Ka06. Magnetic properties were found to be anisotropic due to cubic Laves phase C15 crystal structure symmetry. These studies reveal the importance of multipolar charge interactions when describing thermomagnetic properties of real 4f electronic systems and the effectiveness of an applied self-consistent molecular field in calculations for magnetic phase transition simulation.

Improving the Quality of Protein Crystals Using Stirring Crystallization

NASA Astrophysics Data System (ADS)

Adachi, Hiroaki; Matsumura, Hiroyoshi; Niino, Ai; Takano, Kazufumi; Kinoshita, Takayoshi; Warizaya, Masaichi; Inoue, Tsuyoshi; Mori, Yusuke; Sasaki, Takatomo

2004-04-01

Recent reports state that a high magnetic field improves the crystal quality of bovine adenosine deaminase (ADA) with an inhibitor [Kinoshita et al.: Acta Cryst. D59 (2003) 1333]. In this paper, we examine the effect of stirring solution on ADA crystallization using a vapor-diffusion technique with rotary and figure-eight motion shakers. The probability of obtaining high-quality crystals is increased with stirring in a figure-eight pattern. Furthermore, rotary stirring greatly increased the probability of obtaining high-quality crystals, however, nucleation time was also increased. The crystal structure with the inhibitor was determined at a high resolution using a crystal obtained from a stirred solution. These results indicate that stirring with simple equipment is as useful as the high magnetic field technique for protein crystallization.

High-efficiency frequency doubling of continuous-wave laser light.

PubMed

Ast, Stefan; Nia, Ramon Moghadas; Schönbeck, Axel; Lastzka, Nico; Steinlechner, Jessica; Eberle, Tobias; Mehmet, Moritz; Steinlechner, Sebastian; Schnabel, Roman

2011-09-01

We report on the observation of high-efficiency frequency doubling of 1550 nm continuous-wave laser light in a nonlinear cavity containing a periodically poled potassium titanyl phosphate crystal (PPKTP). The fundamental field had a power of 1.10 W and was converted into 1.05 W at 775 nm, yielding a total external conversion efficiency of 95±1%. The latter value is based on the measured depletion of the fundamental field being consistent with the absolute values derived from numerical simulations. According to our model, the conversion efficiency achieved was limited by the nonperfect mode matching into the nonlinear cavity and by the nonperfect impedance matching for the maximum input power available. Our result shows that cavity-assisted frequency conversion based on PPKTP is well suited for low-decoherence frequency conversion of quantum states of light.

High energy X-ray diffraction study of a dental ceramics–titanium functional gradient material prepared by field assisted sintering technique

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

Witte, K., E-mail: kerstin.witte@uni-rostock.de; Bodnar, W.; Schell, N.

A functional gradient material with eleven layers composed of a dental ceramics and titanium was successfully consolidated using field assisted sintering technique in a two-step sintering process. High energy X-ray diffraction studies on the gradient were performed at High Energy Material Science beamline at Desy in Hamburg. Phase composition, crystal unit edges and lattice mismatch along the gradient were determined applying Rietveld refinement procedure. Phase analysis revealed that the main crystalline phase present in the gradient is α-Ti. Crystallinity increases stepwisely along the gradient with a decreasing increment between every next layer, following rather the weight fraction of titanium. Themore » crystal unit edge a of titanium remains approximately constant with a value of 2.9686(1) Å, while c is reduced with increasing amount of titanium. In the layer with pure titanium the crystal unit edge c is constant with a value of 4.7174(2) Å. The lattice mismatch leading to an internal stress was calculated over the whole gradient. It was found that the maximal internal stress in titanium embedded in the studied gradient is significantly smaller than its yield strength, which implies that the structure of titanium along the whole gradient is mechanically stable. - Highlights: • High energy XRD studies of dental ceramics–Ti gradient material consolidated by FAST. • Phase composition, crystallinity and lattice parameters are determined. • Crystallinity increases stepwisely along the gradient following weight fraction of Ti. • Lattice mismatch leading to internal stress is calculated over the whole gradient. • Internal stress in α-Ti embedded in the gradient is smaller than its yield strength.« less

Probing spin dynamics and quantum relaxation in Li Y0.998 Ho0.002 F4 via 19F NMR

NASA Astrophysics Data System (ADS)

Graf, M. J.; Lascialfari, A.; Borsa, F.; Tkachuk, A. M.; Barbara, B.

2006-01-01

We report measurements of F19 nuclear spin-lattice relaxation 1/T1 as a function of temperature and external magnetic field in a LiY0.998Ho0.002F4 single crystal, a single-ion magnet exhibiting interesting quantum effects. The F19 1/T1 is found to depend on the coupling with the diluted rare-earth (RE) moments, making it an effective probe of the rare-earth spin dynamics. The results for 1/T1 show a behavior similar to that observed in molecular nanomagnets, a result which we attribute to the discreteness of the energy levels in both cases. At intermediate temperatures the lifetime broadening of the crystal field split RE magnetic levels follows a T3 power law. At low temperature the field dependence of 1/T1 shows peaks in correspondence to the critical magnetic fields for energy level crossings (LC). A key result of this study is that the broadening of the levels at LC is found to become extremely small at low temperatures, about 1.7mT , a value which is comparable to the weak dipolar fields at the RE lattice positions. Thus, unlike the molecular magnets, decoherence effects are strongly suppressed, and it may be possible to measure directly the level repulsions at avoided level crossings.

Empirical temperature-dependent intermolecular potentials determined by data mining from crystal data

NASA Astrophysics Data System (ADS)

Hofmann, D. W. M.; Kuleshova, L. N.

2018-05-01

Modern force fields are accurate enough to describe thermal effects in molecular crystals. Here, we have extended our earlier approach to discrete force fields for various temperatures to a force field with a continuous function. For the parametrisation of the force field, we used data mining on experimental structures with the temperature as an additional descriptor. The obtained force field can be used to minimise energy at a finite temperature and for molecular dynamics with zero-K potentials. The applicability of the method has been demonstrated for the prediction of crystal density, temperature density gradients and transition temperature.

A Navier-Stokes phase-field crystal model for colloidal suspensions

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

Praetorius, Simon, E-mail: simon.praetorius@tu-dresden.de; Voigt, Axel, E-mail: axel.voigt@tu-dresden.de

2015-04-21

We develop a fully continuous model for colloidal suspensions with hydrodynamic interactions. The Navier-Stokes Phase-Field Crystal model combines ideas of dynamic density functional theory with particulate flow approaches and is derived in detail and related to other dynamic density functional theory approaches with hydrodynamic interactions. The derived system is numerically solved using adaptive finite elements and is used to analyze colloidal crystallization in flowing environments demonstrating a strong coupling in both directions between the crystal shape and the flow field. We further validate the model against other computational approaches for particulate flow systems for various colloidal sedimentation problems.

A Navier-Stokes phase-field crystal model for colloidal suspensions.

PubMed

Praetorius, Simon; Voigt, Axel

2015-04-21

We develop a fully continuous model for colloidal suspensions with hydrodynamic interactions. The Navier-Stokes Phase-Field Crystal model combines ideas of dynamic density functional theory with particulate flow approaches and is derived in detail and related to other dynamic density functional theory approaches with hydrodynamic interactions. The derived system is numerically solved using adaptive finite elements and is used to analyze colloidal crystallization in flowing environments demonstrating a strong coupling in both directions between the crystal shape and the flow field. We further validate the model against other computational approaches for particulate flow systems for various colloidal sedimentation problems.

Magneto-optical properties of biogenic photonic crystals in algae

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

Iwasaka, M., E-mail: iwasaka-m@umin.ac.jp; Japan Science and Technology Agency, PRESTO, 4-1-8 Honcho, Kawaguchi 332-0012 Saitama; Mizukawa, Y.

In the present study, the effects of strong static magnetic fields on the structural colors of the cell covering crystals on a microalgae, coccolithophore, were investigated. The coccolithophore, Emiliania huxleyi, generates a precise assembly of calcite crystals called coccoliths by biomineralization. The coccoliths attached to the cells exhibited structural colors under side light illumination, and the colors underwent dynamic transitions when the magnetic fields were changed between 0 T and 5 T, probably due to diamagnetically induced changes of their inclination under the magnetic fields. The specific light-scattering property of individual coccoliths separated from the cells was also observed. Light scattering frommore » a condensed suspension of coccoliths drastically decreased when magnetic fields of more than 4 T were applied parallel to the direction of observation. The magnetically aligned cell-covering crystals of the coccolithophores exhibited the properties of both a photonic crystal and a minimum micromirror.« less

Optical coherence of 166Er:7LiYF4 crystal below 1 K

NASA Astrophysics Data System (ADS)

Kukharchyk, N.; Sholokhov, D.; Morozov, O.; Korableva, S. L.; Kalachev, A. A.; Bushev, P. A.

2018-02-01

We explore optical coherence and spin dynamics of an isotopically purified 166Er:7LiYF4 crystal below 1 K and at weak magnetic fields < 0.3T. Crystals were grown in our lab and demonstrate narrow inhomogeneous optical broadening down to 16 MHz. Solid-state atomic ensembles with such narrow linewidths are very attractive for implementing of off-resonant Raman quantum memory and for the interfacing of superconducting quantum circuits and telecom C-band optical photons. Both applications require a low magnetic field of ∼10 mT. However, at conventional experimental temperatures T > 1.5 K, optical coherence of Er:LYF crystal attains ≃ 10 μ {{s}} time scale only at strong magnetic fields above 1.5 T. In the present work, we demonstrate that the deep freezing of Er:LYF crystal below 1 K results in the increase of optical coherence time to ≃ 100 μ {{s}} at weak fields.

Field-Induced Transient Periodic Structures in Nematic Liquid Crystals: The Twist-Fréedericksz Transition

NASA Astrophysics Data System (ADS)

Lonberg, Franklin; Fraden, Seth; Hurd, Alan J.; Meyer, Robert E.

1984-05-01

Field-induced reorientations of liquid crystals, far from equilibrium, produce spatially periodic responses. The wavelength selected maximizes response speed. A detailed analysis of the effect in a novel geometry is presented, along with a discussion of its general importance in polymerlike liquid crystals.

High efficiency single transverse mode photonic band crystal lasers with low vertical divergence

NASA Astrophysics Data System (ADS)

Zhao, Shaoyu; Qu, Hongwei; Liu, Yun; Li, Lunhua; Chen, Yang; Zhou, Xuyan; Lin, Yuzhe; Liu, Anjin; Qi, Aiyi; Zheng, Wanhua

2016-10-01

High efficiency 980 nm longitudinal photonic band crystal (PBC) edge emitting laser diodes are designed and fabricated. The calculated results show that eight periods of Al0.1Ga0.9As and Al0.25Ga0.75As layer pairs can reduce the vertical far field divergence to 10.6° full width at half maximum (FWHM). The broad area (BA) lasers show a very high internal quantum efficiency ηi of 98% and low internal loss αi of 1.92 cm-1. Ridge waveguide (RW) lasers with 3 mm cavity length and 5um strip width provide 430 mW stable single transverse mode output at 500 mA injection current with power conversion efficiency (PCE) of 47% under continuous wave (CW) mode. A maximum PCE of 50% is obtained at the 300 mA injection current. A very low vertical far field divergence of 9.4° is obtained at 100 mA injection. At 500 mA injection, the vertical far field divergence increases to 11°, the beam quality factors M2 values are 1.707 in vertical direction and 1.769 in lateral direction.

Magneto-optical Kerr effect of a Ni2.00Mn1.16Ga0.84 single crystal across austenite and intermartensite transitions

NASA Astrophysics Data System (ADS)

Fikáček, Jan; Heczko, Oleg; Kopecký, Vít; Kaštil, Jiří; Honolka, Jan

2018-04-01

We carried out magneto-optical Kerr effect (MOKE) and magnetization measurements on a single crystal of Ni2.00Mn1.16Ga0.84, which is a magnetic shape memory material with application potential for actuator devices or for energy recuperation. Up to the time of our study, there had been reports of MOKE measurements in polar geometry. Against earlier predictions, we show that surface magnetic states of the martensite and the austenite can be also probed efficiently via longitudinal MOKE. A single-variant magnetic state prepared at room temperature is characterized by square-shaped ferromagnetic hysteresis loops yielding coercive fields, which are key material properties for future applications. Temperature dependencies of Kerr rotation were found to be linearly proportional to magnetization for martensitic phases. After passing through an inter-martensitic structural transition below room temperature in zero magnetic field, the coercive fields are more than doubled in comparison with the room temperature values. Above room temperature where an austenite structure is formed, MOKE signals are dominated by quadratic contributions and the magnitude of Kerr rotation drops due to changes in the electronic and magnetic domains structure.

Photonic crystal wave guide for non-cryogenic cooled carbon nanotube based middle wave infrared sensors

NASA Astrophysics Data System (ADS)

Fung, Carmen Kar Man; Xi, Ning; Lou, Jianyong; Lai, King Wai Chiu; Chen, Hongzhi

2010-10-01

We report high sensitivity carbon nanotube (CNT) based middle wave infrared (MWIR) sensors with a two-dimensional photonic crystal waveguide. MWIR sensors are of great importance in a variety of current military applications including ballistic missile defense, surveillance and target detection. Unlike other existing MWIR sensing materials, CNTs exhibit low noise level and can be used as new nano sensing materials for MWIR detection where cryogenic cooling is not required. However, the quantum efficiency of the CNT based infrared sensor is still limited by the small sensing area and low incoming electric field. Here, a photonic nanostructure is used as a resonant cavity for boosting the electric field intensity at the position of the CNT sensing element. A two-dimensional photonic crystal with periodic holes in a polymer thin film is fabricated and a resonant cavity is formed by removing holes from the array of the photonic crystal. Based on the design of the photonic crystal topologies, we theoretically study the electric field distribution to predict the resonant behavior of the structure. Numerical simulations reveal the field is enhanced and almost fully confined to the defect region of the photonic crystal. To verify the electric field enhancement effect, experiments are also performed to measure the photocurrent response of the sensor with and without the photonic crystal resonant cavity. Experimental results show that the photocurrent increases ~3 times after adding the photonic crystal resonant cavity.

A finite-strain homogenization model for viscoplastic porous single crystals: I - Theory

NASA Astrophysics Data System (ADS)

Song, Dawei; Ponte Castañeda, P.

2017-10-01

This paper presents a homogenization-based constitutive model for the finite-strain, macroscopic response of porous viscoplastic single crystals. The model accounts explicitly for the evolution of the average lattice orientation, as well as the porosity, average shape and orientation of the voids (and their distribution), by means of appropriate microstructural variables playing the role of internal variables and serving to characterize the evolution of both the "crystallographic" and "morphological" anisotropy of the porous single crystals. The model makes use of the fully optimized second-order variational method of Ponte Castañeda (2015), together with the iterated homogenization approach of Agoras and Ponte Castañeda (2013), to characterize the instantaneous effective response of the porous single crystals with fixed values of the microstructural variables. Consistent homogenization estimates for the average strain rate and vorticity fields in the phases are then used to derive evolution equations for the associated microstructural variables. The model is 100% predictive, requiring no fitting parameters, and applies for porous viscoplastic single crystals with general crystal anisotropy and average void shape and orientation, which are subjected to general loading conditions. In Part II of this work (Song and Ponte Castañeda, 2017a), results for both the instantaneous response and the evolution of the microstructure will be presented for porous FCC and HCP single crystals under a wide range of loading conditions, and good agreement with available FEM results will be shown.

Field-controllable Spin-Hall Effect of Light in Optical Crystals: A Conoscopic Mueller Matrix Analysis.

PubMed

Samlan, C T; Viswanathan, Nirmal K

2018-01-31

Electric-field applied perpendicular to the direction of propagation of paraxial beam through an optical crystal dynamically modifies the spin-orbit interaction (SOI), leading to the demonstration of controllable spin-Hall effect of light (SHEL). The electro- and piezo-optic effects of the crystal modifies the radially symmetric spatial variation in the fast-axis orientation of the crystal, resulting in a complex pattern with different topologies due to the symmetry-breaking effect of the applied field. This introduces spatially-varying Pancharatnam-Berry type geometric phase on to the paraxial beam of light, leading to the observation of SHEL in addition to the spin-to-vortex conversion. A wave-vector resolved conoscopic Mueller matrix measurement and analysis provides a first glimpse of the SHEL in the biaxial crystal, identified via the appearance of weak circular birefringence. The emergence of field-controllable fast-axis orientation of the crystal and the resulting SHEL provides a new degree of freedom for affecting and controlling the spin and orbital angular momentum of photons to unravel the rich underlying physics of optical crystals and aid in the development of active photonic spin-Hall devices.

AOM reconciling of crystal field parameters for UCl 3, UBr 3, UI 3 series

NASA Astrophysics Data System (ADS)

Gajek, Z.; Mulak, J.

1990-07-01

Available inelastic neutron scattering interpretations of crystal field effect in the uranium trihalides have been verified in terms of Angular Overlap Model. For UCl 3 a good reconciling of both INS and optical interpretations of crystal field effect has been obtained. On the contrary, the parameterizations for UBr 3 and UI 3 were found to be highly artificial and suggestion is given to experimentalists to reinterpret their INS spectra.

Countering Solutal Buoyant Convection with High Magnetic Fields

NASA Technical Reports Server (NTRS)

Ramachandran, N.; Leslie, F. W.

2002-01-01

An important component in biotechnology, particularly in the area of protein engineering and rational drug design is the knowledge of the precise three-dimensional molecular structure of proteins. The quality of structural information obtained from X-ray diffraction methods is directly dependent on the degree of perfection of the protein crystals. As a consequence, the growth of high quality macromolecular crystals for diffraction analyses has been the central focus for biochemist, biologists, and bioengineers. Macromolecular crystals are obtained from solutions that contain the crystallizing species in equilibrium with higher aggregates, ions, precipitant, other possible phases of the protein, foreign particles, the walls of the container, and a likely host of other impurities. By changing transport modes in general, i.e., reduction of convection and sedimentation, as is achieved in microgravity, we have been able to dramatically effect the movement and distribution of macromolecules in the fluid, and thus their transport, formation of crystal nuclei, and adsorption to the crystal surface. While a limited number of high quality crystals from space flights have been obtained, as the recent National Research Council (NRC) review of the NASA microgravity crystallization program pointed out, the scientific approach and research in crystallization of proteins has been mainly empirical yielding inconclusive results. We postulate that we can reduce convection in ground-based experiments and we can understand the different aspects of convection control through the use of strong magnetic fields and field gradients. We postulate that limited convection in a magnetic field will provide the environment for the growth of high quality crystals. The approach exploits the variation of fluid magnetic susceptibility with concentration for this purpose and the convective damping is realized by appropriately positioning the crystal growth cell so that the magnetic susceptibility force counteracts terrestrial gravity. The general objective is to test the hypothesis of convective control using a strong magnetic field and magnetic field gradient and to understand the nature of the various forces that come into play. Specifically we aim to delineate causative factors and to quantify them through experiments, analysis and numerical modeling. The paper will report on the current status of the investigation and discuss results from the experimental and modeling efforts.

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

Diffraction based method to reconstruct the spectrum of the Thomson scattering x-ray source

NASA Astrophysics Data System (ADS)

Chi, Zhijun; Yan, Lixin; Zhang, Zhen; Zhou, Zheng; Zheng, Lianmin; Wang, Dong; Tian, Qili; Wang, Wei; Nie, Zan; Zhang, Jie; Du, Yingchao; Hua, Jianfei; Shi, Jiaru; Pai, Chihao; Lu, Wei; Huang, Wenhui; Chen, Huaibi; Tang, Chuanxiang

2017-04-01

As Thomson scattering x-ray sources based on the collision of intense laser and relativistic electrons have drawn much attention in various scientific fields, there is an increasing demand for the effective methods to reconstruct the spectrum information of the ultra-short and high-intensity x-ray pulses. In this paper, a precise spectrum measurement method for the Thomson scattering x-ray sources was proposed with the diffraction of a Highly Oriented Pyrolytic Graphite (HOPG) crystal and was demonstrated at the Tsinghua Thomson scattering X-ray source. The x-ray pulse is diffracted by a 15 mm (L) ×15 mm (H)× 1 mm (D) HOPG crystal with 1° mosaic spread. By analyzing the diffraction pattern, both x-ray peak energies and energy spectral bandwidths at different polar angles can be reconstructed, which agree well with the theoretical value and simulation. The higher integral reflectivity of the HOPG crystal makes this method possible for single-shot measurement.

Diffraction based method to reconstruct the spectrum of the Thomson scattering x-ray source.

PubMed

Chi, Zhijun; Yan, Lixin; Zhang, Zhen; Zhou, Zheng; Zheng, Lianmin; Wang, Dong; Tian, Qili; Wang, Wei; Nie, Zan; Zhang, Jie; Du, Yingchao; Hua, Jianfei; Shi, Jiaru; Pai, Chihao; Lu, Wei; Huang, Wenhui; Chen, Huaibi; Tang, Chuanxiang

2017-04-01

As Thomson scattering x-ray sources based on the collision of intense laser and relativistic electrons have drawn much attention in various scientific fields, there is an increasing demand for the effective methods to reconstruct the spectrum information of the ultra-short and high-intensity x-ray pulses. In this paper, a precise spectrum measurement method for the Thomson scattering x-ray sources was proposed with the diffraction of a Highly Oriented Pyrolytic Graphite (HOPG) crystal and was demonstrated at the Tsinghua Thomson scattering X-ray source. The x-ray pulse is diffracted by a 15 mm (L) ×15 mm (H)× 1 mm (D) HOPG crystal with 1° mosaic spread. By analyzing the diffraction pattern, both x-ray peak energies and energy spectral bandwidths at different polar angles can be reconstructed, which agree well with the theoretical value and simulation. The higher integral reflectivity of the HOPG crystal makes this method possible for single-shot measurement.

Intrinsic frame transport for a model of nematic liquid crystal

NASA Astrophysics Data System (ADS)

Cozzini, S.; Rull, L. F.; Ciccotti, G.; Paolini, G. V.

1997-02-01

We present a computer simulation study of the dynamical properties of a nematic liquid crystal model. The diffusional motion of the nematic director is taken into account in our calculations in order to give a proper estimate of the transport coefficients. Differently from other groups we do not attempt to stabilize the director through rigid constraints or applied external fields. We instead define an intrinsic frame which moves along with the director at each step of the simulation. The transport coefficients computed in the intrinsic frame are then compared against the ones calculated in the fixed laboratory frame, to show the inadequacy of the latter for systems with less than 500 molecules. Using this general scheme on the Gay-Berne liquid crystal model, we evidence the natural motion of the director and attempt to quantify its intrinsic time scale and size dependence. Through extended simulations of systems of different size we calculate the diffusion and viscosity coefficients of this model and compare our results with values previously obtained with fixed director.

Cavity magnon polaritons with lithium ferrite and three-dimensional microwave resonators at millikelvin temperatures

NASA Astrophysics Data System (ADS)

Goryachev, Maxim; Watt, Stuart; Bourhill, Jeremy; Kostylev, Mikhail; Tobar, Michael E.

2018-04-01

Single crystal lithium ferrite (LiFe) spheres of sub-mm dimension are examined at mK temperatures, microwave frequencies, and variable dc magnetic field, for use in hybrid quantum systems and condensed matter and fundamental physics experiments. Strong coupling regimes of the photon-magnon interaction (cavity magnon polariton quasiparticles) were observed with coupling strength of up to 250 MHz at 9.5 GHz (2.6%) with magnon linewidths of order 4 MHz (with potential improvement to sub-MHz values). We show that the photon-magnon coupling can be significantly improved and exceed that of the widely used yttrium iron garnet crystal, due to the small unit cell of LiFe, allowing twice the spins per unit volume. Magnon mode softening was observed at low dc fields and, combined with the normal Zeeman effect, creates magnon spin-wave modes that are insensitive to first-order magnetic-field fluctuations. This effect is observed in the Kittel mode at 5.5 GHz (and another higher order mode at 6.5 GHz) with a dc magnetic field close to 0.19 tesla. We show that if the cavity is tuned close to this frequency, the magnon polariton particles exhibit an enhanced range of strong coupling and insensitivity to magnetic field fluctuations with both first-order and second-order insensitivity to magnetic field as a function of frequency (double magic point clock transition), which could potentially be exploited in cavity QED experiments.

Coherent spin transport through a 350 micron thick silicon wafer.

PubMed

Huang, Biqin; Monsma, Douwe J; Appelbaum, Ian

2007-10-26

We use all-electrical methods to inject, transport, and detect spin-polarized electrons vertically through a 350-micron-thick undoped single-crystal silicon wafer. Spin precession measurements in a perpendicular magnetic field at different accelerating electric fields reveal high spin coherence with at least 13pi precession angles. The magnetic-field spacing of precession extrema are used to determine the injector-to-detector electron transit time. These transit time values are associated with output magnetocurrent changes (from in-plane spin-valve measurements), which are proportional to final spin polarization. Fitting the results to a simple exponential spin-decay model yields a conduction electron spin lifetime (T1) lower bound in silicon of over 500 ns at 60 K.

Space-time crystals of trapped ions.

PubMed

Li, Tongcang; Gong, Zhe-Xuan; Yin, Zhang-Qi; Quan, H T; Yin, Xiaobo; Zhang, Peng; Duan, L-M; Zhang, Xiang

2012-10-19

Spontaneous symmetry breaking can lead to the formation of time crystals, as well as spatial crystals. Here we propose a space-time crystal of trapped ions and a method to realize it experimentally by confining ions in a ring-shaped trapping potential with a static magnetic field. The ions spontaneously form a spatial ring crystal due to Coulomb repulsion. This ion crystal can rotate persistently at the lowest quantum energy state in magnetic fields with fractional fluxes. The persistent rotation of trapped ions produces the temporal order, leading to the formation of a space-time crystal. We show that these space-time crystals are robust for direct experimental observation. We also study the effects of finite temperatures on the persistent rotation. The proposed space-time crystals of trapped ions provide a new dimension for exploring many-body physics and emerging properties of matter.

Study of crystal-field interaction in magnetic frustrated lead pyrochlore Gd2Pb2O7

NASA Astrophysics Data System (ADS)

Swarnakar, D.; Jana, Y. M.

2018-05-01

A fine tuning between the crystal field and the molecular field to adopt unique ground state in frustrated magnetic R2M2O7 pyrochlores structures is made by the variation of chemical pressure at R-site caused by substitution of nonmagnetic cation of M-site. Existence of larger cation at M-site increases the lattice parameter or nearest-neighbor bond distance between magnetic R-spins, and causes subtle changes to the local oxygen environment surrounding each R-ion, thereby reduces the chemical pressure at R-site which leads to a dramatic change in the crystal-field and molecular field. To investigate the effect of chemical pressure, the experimental results of powder magnetic susceptibility and isothermal magnetization of the frustrated compound Gd2Pb2O7 containing largest cation, e.g. lead (Pb), at M4+-sites were simulated and analyzed employing a D3d crystal-field (CF) and anisotropic molecular field at R-sites in the self- consistent mean-field approach. The second-ordered axial parameter B20 and total CF splitting of the ground multiplet Gd-ion in Gd2Pb2O7 are 477 cm-1 and 4.8 cm-1 respectively which are the lowest among their isomorphous counterparts, implying reduced effect of the crystal-field at Gd site in Gd2Pb2O7.

Mechanical and electro-optical properties of unconventional liquid crystal systems

NASA Astrophysics Data System (ADS)

Liao, Guangxun

Four types of unconventional liquid crystal systems - amphotropic glycolipids; novel bent-core liquid crystals, bent-core liquid crystal and glycolipid mixtures, and colloidal crystal-liquid crystal systems - were studied and characterized by polarizing microscopy, electrical current, digital scanning calorimetry, and dielectric spectroscopy. Thermotropic properties of glycolipids show a number of unusual properties, most notably high (60-120) relative dielectric constants mainly proportional to the number of polar sugar heads. The relaxation of this dielectric mode is found to be governed by the hydrogen bonding between sugar heads. Studies on novel bent-core liquid crystals reveal a new optically isotropic ferroelectric phase, molecular chirality-induced polarity, and transitions between molecular chirality and polarity driven phases. Mixtures of several bent-core substances with nematic, polar SmA and SmC phases, and a simple amphiphilic sugar lipid with SmA mesophase found to obey the well known miscibility rules, i.e. the sugar lipid mixes best with the polar SmA bent-core material. In addition, the chiral sugar lipid was found to induce tilt to the non-tilted polar SmA phase, which represents a new direction among the chirality--polarity--tilt relations. The effects of the surface properties and electric fields were studied on various colloid particles--and liquid crystal systems. It is found that the surface properties (hydrophobicity, roughness, rubbing) of the substrates are important in determining the size and symmetry of colloidal crystals. The director field of the liquid crystal infiltrated in the colloid crystals can be rendered both random and uniform along one of the crystallographic axis. We present the first observations of DC electric-field-induced rotational and translational motion of finite particles in liquid crystals. The electrorotation is essentially identical to the well - known Quincke rotation, which in liquid crystals triggers an additional translational motion at higher fields. Analysis of the electro-rotation and translations provides new ways to probe local rheological properties of liquid crystals.

Ultrathin solution-processed single crystals of thiophene-phenylene co-oligomers for organic field-effect devices

NASA Astrophysics Data System (ADS)

Glushkova, Anastasia V.; Poimanova, Elena Yu.; Bruevich, Vladimir V.; Luponosov, Yuriy N.; Ponomarenko, Sergei A.; Paraschuk, Dmitry Yu.

2017-08-01

Thiophene-phenylene co-oligomers (TPCO) single crystals are promising materials for organic light-emitting devices, e.g., light-emitting transistors (OLETs), due to their ability to combine high luminescence and efficient charge transport. However, optical confinement in platy single crystals strongly decreases light emission from their top surface degrading the device performance. To avoid optical waveguiding, single crystals thinner than 100 nm would be beneficial. Herein, we report on solution-processed ultrathin single crystals of TPCO and study their charge transport properties. As materials we used 1,4-bis(5'-hexyl-2,2'-bithiophene-5-yl)benzene (DH-TTPTT) and 1,4-bis(5'-decyl-2,2'-bithiophene-5-yl)benzene (DD-TTPTT). The ultrathin single crystals were studied by optical polarization, atomic-force, and transmission electron microscopies, and as active layers in organic field effect transistors (OFET). The OFET hole mobility was increased tenfold for the oligomer with longer alkyl substituents (DD-TTPTT) reaching 0.2 cm2/Vs. Our studies of crystal growth indicate that if the substrate is wetted, it has no significant effect on the crystal growth. We conclude that solution-processed ultrathin TPCO single crystals are a promising platform for organic optoelectronic field-effect devices.

[Study on Hydrothermal Preparation and Luminescence Properties of Luminescent Material BaSrMg(PO₄)₂:Eu³⁺].

PubMed

Hu, Qing-song; Zhu, Cheng-jing; Xia, Yue-yi; Wang, Li-li; Liu, Wen-han; Pan, Zai-fa

2016-02-01

Eu³⁺ doped BaSrMg (PO₄)₂ were prepared by a hydrothermal method. The crystal structure and morphology of BaSrMg(PO₄)₂:Eu³⁺ phosphor were characterized by X-ray powder diffraction (XRD) and field emission scanning electron microscopy (FESEM). The effects of different pH values (5, 6, 7 and 8) and different reaction temperatures (120, 140, 160, 180 and 200 °C) on the crystal structure and morphology of BaSrMg(PO₄)₂:Eu³⁺ phosphor were studied in this paper. The results of XRD indicate that diffraction peaks are sharp and strong only when pH value is 6, meanwhile the FESEM shows the morphology is regular-shaped. The XRD patterns show amorphous halos superimposed with several weak sharp peaks for the samples preparing under the pH values of 5, 7 and 8. It indicates that these three samples are solid solution or mixed phases, which are in accord with the results of FESEM. From the fluorescence spectra, the peaks in the excitation spectra were assigned to the transition from ⁷F₀ to ⁵D₄, ⁵L₈, ⁵L₆ and ⁵D₂, while the peaks of emission spectra corresponding to the transition of ⁵D₁ --> ⁷F₁ and ⁵D₀-->⁷Fj (J = 0, 1, 2, 3 and 4). The strongest emission peak of the optimized phosphor located at 613 nm (⁵D0--> ⁷F₂), excited by the main excitation peak with wavelength of 394 nm. The splitting of the emission peaks changes depends on pH values and temperatures, which indicating that luminescence properties is closely related to the crystal structure and morphology of particles.

Magnetic assembly of nonmagnetic particles into photonic crystal structures.

PubMed

He, Le; Hu, Yongxing; Kim, Hyoki; Ge, Jianping; Kwon, Sunghoon; Yin, Yadong

2010-11-10

We report the rapid formation of photonic crystal structures by assembly of uniform nonmagnetic colloidal particles in ferrofluids using external magnetic fields. Magnetic manipulation of nonmagnetic particles with size down to a few hundred nanometers, suitable building blocks for producing photonic crystals with band gaps located in the visible regime, has been difficult due to their weak magnetic dipole moment. Increasing the dipole moment of magnetic holes has been limited by the instability of ferrofluids toward aggregation at high concentration or under strong magnetic field. By taking advantage of the superior stability of highly surface-charged magnetite nanocrystal-based ferrofluids, in this paper we have been able to successfully assemble 185 nm nonmagnetic polymer beads into photonic crystal structures, from 1D chains to 3D assemblies as determined by the interplay of magnetic dipole force and packing force. In a strong magnetic field with large field gradient, 3D photonic crystals with high reflectance (83%) in the visible range can be rapidly produced within several minutes, making this general strategy promising for fast creation of large-area photonic crystals using nonmagnetic particles as building blocks.

Mafic-crystal distributions, viscosities, and lava structures of some Hawaiian lava flows

NASA Astrophysics Data System (ADS)

Rowland, Scott K.; Walker, George P. L.

1988-09-01

The distribution patterns of mafic phenocrysts in some Hawaiian basalt flows are consistent with simple in situ gravitational settling. We use the patterns to estimate the crystal settling velocity and hence viscosity of the lava, which in turn can be correlated with surface structures. Numerical modeling generates theoretical crystal concentration profiles through lava flow units of different thicknesses for differing settling velocities. By fitting these curves to field data, crystal-settling rates through the lavas can be estimated, from which the viscosities of the flows can be determined using Stokes' Law. Lavas in which the crystal settling velocity was relatively high (on the order of 5 × 10 -4 cm/sec) show great variations in phenocryst content, both from top to bottom of the same flow unit, and from one flow unit to another. Such lava is invariably pahoehoe, flow units of which are usually less than 1 m thick. Lavas in which the crystal-settling velocity was low show a small but measurable variation in phenocryst content. These lavas are part of a progression from a rough pahoehoe to toothpaste lava to a'a. Toothpaste lava is characterized by spiny texture as well as the ability to retain surface grooves during solidification, and flow units are usually thicker than 1 m. In the thickest of Hawaiian a'a flows, those of the distal type, no systematic crystal variations are observed, and high viscosity coupled with a finite yield strength prevented crystal settling. The amount of crystal settling in pahoehoe indicates that the viscosity ranged from 600 to 6000 Pa s. The limited amount of settling in toothpaste lava indicates a viscosity greater than this value, approaching 12,000 Pa s. We infer that distal-type a'a had a higher viscosity still and also possessed a yield strength.

An Experimental Study of the Effects of A Rotating Magnetic Field on Electrically Conducting Aqueous Solutions

NASA Technical Reports Server (NTRS)

Ramachandran Narayanan; Mazuruk, Konstantin

1998-01-01

The use of a rotating magnetic field for stirring metallic melts has been a commonly adopted practice for a fairly long period. The elegance of the technique stems from its non-intrusive nature and the intense stirring it can produce in an electrically conducting medium. A further application of the method in recent times has been in the area of crystal growth from melts (e.g. germanium). The latter experiments have been mainly research oriented in order to understand the basic physics of the process and to establish norms for optimizing such a technique for the commercial production of crystals. When adapted for crystal growth applications, the rotating magnetic field is used to induce a slow flow or rotation in the melt which in effect significantly curtails temperature field oscillations in the melt. These oscillations are known to cause dopant striations and thereby inhomogeneities in the grown crystal that essentially degrades the crystal quality. The applied field strength is typically of the order of milli-Teslas with a frequency range between 50-400 Hz. In this investigation, we report findings from experiments that explore the feasibility of applying a rotating magnetic field to aqueous salt solutions, that are characterized by conductivities that are several orders of magnitude smaller than semi-conductor melts. The aim is to study the induced magnetic field and consequently the induced flow in such in application. Detailed flow field description obtained through non-intrusive particle displacement tracking will be reported along with an analytical assessment of the results. It is anticipated that the obtained results will facilitate in establishing a parameter range over which the technique can be applied to obtain a desired flow field distribution. This method can find applicability in the growth of crystals from aqueous solutions and give an experimenter another controllable parameter towards improving the quality of the grown crystal.

Anomalous maximum and minimum for the dissociation of a geminate pair in energetically disordered media

NASA Astrophysics Data System (ADS)

Govatski, J. A.; da Luz, M. G. E.; Koehler, M.

2015-01-01

We study the geminated pair dissociation probability φ as function of applied electric field and temperature in energetically disordered nD media. Regardless nD, for certain parameters regions φ versus the disorder degree (σ) displays anomalous minimum (maximum) at low (moderate) fields. This behavior is compatible with a transport energy which reaches a maximum and then decreases to negative values as σ increases. Our results explain the temperature dependence of the persistent photoconductivity in C60 single crystals going through order-disorder transitions. They also indicate how an energetic disorder spatial variation may contribute to higher exciton dissociation in multicomponent donor/acceptor systems.

Size and diluted magnetic properties of diamond shaped graphene quantum dots: Monte Carlo study

NASA Astrophysics Data System (ADS)

Masrour, R.; Jabar, A.

2018-05-01

The magnetic properties of diamond shaped graphene quantum dots have been investigated by varying their sizes with the Monte Carlo simulation. The magnetizations and magnetic susceptibilities have been studied with dilutions x (magnetic atom), several sizes L (carbon atom) and exchange interaction J between the magnetic atoms. The all magnetic susceptibilities have been situated at the transitions temperatures of each parameters. The obtained values increase when increases the values of x, L and J. The effect of exchanges interactions and crystal field on the magnetization has been discussed. The magnetic hysteresis cycles for several dilutions x, sizes L, exchange interactions J and temperatures T. The magnetic coercive increases with increasing the exchange interactions and decreases when the temperatures values increasing.

The use of magnetic fields in vertical Bridgman/Gradient Freeze-type crystal growth

NASA Astrophysics Data System (ADS)

Pätzold, Olf; Niemietz, Kathrin; Lantzsch, Ronny; Galindo, Vladimir; Grants, Ilmars; Bellmann, Martin; Gerbeth, Gunter

2013-03-01

This paper outlines advanced vertical Bridgman/Gradient Freeze techniques with flow control using magnetic fields developed for the growth of semiconductor crystals. Low-temperature flow modelling, as well as laboratory-scaled crystal growth under the influence of rotating, travelling, and static magnetic fields are presented. Experimental and numerical flow modelling demonstrate the potential of the magnetic fields to establish a well-defined flow for tailoring heat and mass transfer in the melt during growth. The results of the growth experiments are discussed with a focus on the influence of a rotating field on the segregation of dopants, the influence of a travelling field on the temperature field and thermal stresses, and the potential of rotating and static fields for a stabilization of the melt flow.

A strategic approach to physico-chemical analysis of bis (thiourea) lead chloride - A reliable semi-organic nonlinear optical crystal

NASA Astrophysics Data System (ADS)

Rajagopalan, N. R.; Krishnamoorthy, P.; Jayamoorthy, K.

2017-03-01

Good quality crystals of bis thiourea lead chloride (BTLC) have been grown by slow evaporation method from aqueous solution. Orthorhombic structure and Pna21 space group of the crystals have been identified by single crystal X-ray diffraction. Studies on nucleation kinetics of grown BTLC has been carried out from which meta-stable zone width, induction period, free energy change, critical radius, critical number and growth rate have been calculated. The experimental values of interfacial surface energy for the crystal growth process have been compared with theoretical models. Ultra violet transmittance studies resulted in a high transmittance and wide band gap energy suggested the required optical transparency of the crystal. The second harmonic generation (SHG) and phase matching nature of the crystal have been justified by Kurtz-Perry method. The SHG nature of the crystal has been further attested by the higher values of theoretical hyper polarizability. The dielectric nature of the crystals at different temperatures with varying frequencies has been thoroughly studied. The activation energy values of the electrical process have been calculated from ac conductivity study. Solid state parameters including valence electron plasma energy, Penn gap, Fermi energy and polarisability have been unveiled by theoretical approach and correlated with the crystal's SHG efficiency. The values of hardness number, elastic stiffness constant, Meyer's Index, minimum level of indentation load, load dependent constant, fracture toughness, brittleness index and corrected hardness obtained from Vicker's hardness test clearly showed that the BTLC crystal has good mechanical stability required for NLO device fabrication.

Wide-view transflective liquid crystal display for mobile applications

NASA Astrophysics Data System (ADS)

Kim, Hyang Yul; Ge, Zhibing; Wu, Shin-Tson; Lee, Seung Hee

2007-12-01

A high optical efficiency and wide-view transflective liquid crystal display based on fringe-field switching structure is proposed. The transmissive part has a homogenous liquid crystal (LC) alignment and is driven by a fringe electric field, which exhibits excellent electro-optic characteristics. The reflective part has a hybrid LC alignment with quarter-wave phase retardation and is also driven by a fringe electric field. Consequently, the transmissive and reflective parts have similar gamma curves.

Effects of magnetic impurities on upper critical fields in the high-T c superconductor La-doped CaFe2As2

NASA Astrophysics Data System (ADS)

Jung, Soon-Gil; Shin, Soohyeon; Jang, Harim; Mikheenko, Pavlo; Johansen, Tom H.; Park, Tuson

2017-08-01

We investigate the effects of magnetic impurities on the upper critical field (μ 0 H c2) in La-doped CaFe2As2 (LaCa122) single crystals. The magnetic field dependency of the superconducting transition temperature (T c) for LaCa122 is rapidly suppressed at low fields up to ˜1 kOe despite its large μ 0 H c2(0) value on the order of tens of Tesla, resulting in a large positive curvature of μ 0 H c2(T) near T c. The magnetization hysteresis (M-H) loop at temperatures above T c shows a ferromagnetic-like signal and the M(H) value rapidly increases with increasing magnetic field up to ˜1 kOe. Taken together with the linear suppression of T c with the magnetization in the normal state, these results suggest that the large upward curvature of μ 0 H c2(T) near T c in La-doped CaFe2As2 mainly originates from the suppression of superconductivity due to the presence of magnetic impurities.

A short review of theoretical and empirical models for characterization of optical materials doped with the transition metal and rare earth ions

NASA Astrophysics Data System (ADS)

Su, P.; Ma, C.-G.; Brik, M. G.; Srivastava, A. M.

2018-05-01

In this paper, a brief retrospective review of the main developments in crystal field theory is provided. We have examined how different crystal field models are applied to solve the problems that arise in the spectroscopy of optically active ions. Attention is focused on the joint application of crystal field and density functional theory (DFT) based models, which takes advantages of strong features of both individual approaches and allows for obtaining a complementary picture of the electronic properties of a doped crystal with impurity energy levels superimposed onto the host band structure.

Broadband continuous-variable entanglement source using a chirped poling nonlinear crystal

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

Zhao, J. S.; Sun, L.; Yu, X. Q.

2010-01-15

Aperiodically poled nonlinear crystal can be used as a broadband continuous-variable entanglement source and has strong stability under perturbations. We study the conversion dynamics of the sum-frequency generation and the quantum correlation of the two pump fields in a chirped-structure nonlinear crystal using the quantum stochastic method. The results show that there exists a frequency window for the pumps where two optical fields can perform efficient upconversion. The two pump fields are demonstrated to be entangled in the window and the chirped-structure crystal can be used as a continuous-variable entanglement source with a broad response bandwidth.

Magnetic Control of Convection during Protein Crystallization

NASA Technical Reports Server (NTRS)

Ramachandran, N.; Leslie, F. W.

2004-01-01

An important component in biotechnology, particularly in the area of protein engineering and rational drug design is the knowledge of the precise three-dimensional molecular structure of proteins. The quality of structural information obtained from X-ray diffraction methods is directly dependent on the degree of perfection of the protein crystals. As a consequence, the growth of high quality macromolecular Crystals for diffraction analyses has been the central focus for bio-chemists, biologists, and bioengineers. Macromolecular crystals are obtained from solutions that contain the crystallizing species in equilibrium with higher aggregates, ions, precipitants, other possible phases of the protein, foreign particles, the walls of container, and a likely host of other impurities. By changing transport modes in general, i.e., reduction of convection and Sedimentation as is achieved in "microgravity", we have been able to dramatically affect the movement and distribution of macromolecules in the fluid, and thus their transport, f o d o n of crystal nuclei, and adsorption to the crystal surface. While a limited number of high quality crystals from space flights have been obtained, as the recent National Research Council (NRC) review of the NASA microgravity crystallization program pointed out, the scientific approach and research in crystallization of proteins has been mainly empirical yielding inconclusive results. We postulate that we can reduce convection in ground-based experiments and we can understand the different aspects of convection control through the use of strong magnetic fields and field gradients. We postulate that limited convection in a magnetic field will provide the environment for the growth of high quality crystals. The approach exploits the variation of fluid magnetic susceptibility with counteracts on for this purpose and the convective damping is realized by appropriately positioning the crystal growth cell so that the magnetic susceptibility force counteract terrestrial gravity. The genera1 objective is to test the hypothesis of convective control using a strong magnetic field and magnetic field gradient and to understand the nature of the various forces that come into play. Specifically we aim to delineate causative factors and to quantify them through experiments, analysis and numerical modeling. The paper will report on the experimental results using paramagentic salts and solutions in magnetic fields and compare them to analyticalprctions.

Anisotropic crystal deformation measurements determined using powder X-ray diffraction and a new in situ compression stage.

PubMed

Haware, Rahul V; Kim, Paul; Ruffino, Lauren; Nimi, Brian; Fadrowsky, Catherine; Doyle, Michael; Boerrigter, Stephan X M; Cuitino, Alberto; Morris, Ken

2011-10-14

This report addresses the development of experimental and computational estimations of the anisotropic elastic moduli (EM) of single crystals to aid in the a priori (i.e., starting with the crystal structure) prediction of the trend as a function of the direction of applied stress. Experimentally EM values in the normal direction to the X-, Y- and Z-planes of block shaped aspirin and acetaminophen crystals were determined using data generated by the newly designed compression stage housed in our powder X-ray diffractometer. Computational estimations of EM were made using the applicable modules in Material Studio 5.5. The measured EM values normal to the (100), (020) and (002) planes of aspirin, and (20-1), (020) and (001) planes of acetaminophen crystals by both methods succeeded in detected the anisotropic behavior. However, disparity in the relative values between measured EM values by different techniques was observed. This may be attributed to deformation sources other than lattice compression including inelastic processes such as local failure and plasticity as well as deformation at the crystal-probe interfaces due to crystal surface roughness (asperities). The trend of the ratio of the values from the respective methods showed reasonable agreement and promise for the technique. The present approach demonstrated the suitability of the compression stage to determine and predict anisotropic EM of subjected small molecular organic crystals. Copyright © 2011 Elsevier B.V. All rights reserved.

Radiation of X-Rays Using Uniaxially Polarized LiNbO3 Single Crystal

NASA Astrophysics Data System (ADS)

Fukao, Shinji; Nakanishi, Yoshikazu; Mizoguchi, Tadahiro; Ito, Yoshiaki; Nakamura, Toru; Yoshikado, Shinzo

2009-03-01

X-rays are radiated due to the bremsstrahlung caused by the collision of electrons with a metal target placed opposite the negative electric surface of a crystal by changing the temperature of a LiNbO3 single crystal uniaxially polarized in the c-axis direction. It is suggested that both electric field intensity and electron density determine the intensity of X-ray radiation. Electrons are supplied by the ionization of residual gas in space, field emission from a case inside which a crystal is located, considered to be due to the high electric-field intensity formed by the surface charges on the crystal, and an external electron source, such as a thermionic source. In a high vacuum, it was found that the electrons supplied by electric-field emission mainly contribute to the radiation of X-rays. It was found that the integrated intensity of X-rays can be maximized by supplying electrons both external and by electric-field emission. Furthermore, the integrated intensity of the X-rays is stable for many repeated temperature changes.

Method of bonding single crystal quartz by field-assisted bonding

DOEpatents

Curlee, R.M.; Tuthill, C.D.; Watkins, R.D.

1991-04-23

The method of producing a hermetic stable structural bond between quartz crystals includes providing first and second quartz crystals and depositing thin films of borosilicate glass and silicon on portions of the first and second crystals, respectively. The portions of the first and second crystals are then juxtaposed in a surface contact relationship and heated to a temperature for a period sufficient to cause the glass and silicon films to become electrically conductive. An electrical potential is then applied across the first and second crystals for creating an electrostatic field between the adjoining surfaces and causing the juxtaposed portions to be attracted into an intimate contact and form a bond for joining the adjoining surfaces of the crystals. 2 figures.

Method of bonding single crystal quartz by field-assisted bonding

DOEpatents

Curlee, Richard M.; Tuthill, Clinton D.; Watkins, Randall D.

1991-01-01

The method of producing a hermetic stable structural bond between quartz crystals includes providing first and second quartz crystals and depositing thin films of borosilicate glass and silicon on portions of the first and second crystals, respectively. The portions of the first and second crystals are then juxtaposed in a surface contact relationship and heated to a temperature for a period sufficient to cause the glass and silicon films to become electrically conductive. An electrical potential is then applied across the first and second crystals for creating an electrostatic field between the adjoining surfaces and causing the juxtaposed portions to be attracted into an intimate contact and form a bond for joining the adjoining surfaces of the crystals.

Electrically tunable zero dispersion wavelengths in photonic crystal fibers filled with a dual frequency addressable liquid crystal

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

Wahle, Markus, E-mail: markus.wahle@uni-paderborn.de; Kitzerow, Heinz-Siegfried

2015-11-16

We present a liquid crystal (LC) infiltrated photonic crystal fiber, which enables the electrical tuning of the position of zero dispersion wavelengths (ZDWs). A dual frequency addressable liquid crystal is aligned perpendicular on the inclusion walls of a photonic crystal fiber, which results in an escaped radial director field. The orientation of the LC is controlled by applying an external electric field. Due to the high index of the liquid crystal the fiber guides light by the photonic band gap effect. Multiple ZDWs exist in the visible and near infrared. The positions of the ZDWs can be either blue ormore » red shifted depending on the frequency of the applied voltage.« less

Spin-Orbit Qubits of Rare-Earth-Metal Ions in Axially Symmetric Crystal Fields

NASA Astrophysics Data System (ADS)

Bertaina, S.; Shim, J. H.; Gambarelli, S.; Malkin, B. Z.; Barbara, B.

2009-11-01

Contrary to the well-known spin qubits, rare-earth-metal qubits are characterized by a strong influence of crystal field due to large spin-orbit coupling. At low temperature and in the presence of resonance microwaves, it is the magnetic moment of the crystal-field ground state which nutates (for several μs) and the Rabi frequency ΩR is anisotropic. Here, we present a study of the variations of ΩR(H→0) with the magnitude and direction of the static magnetic field H→0 for the odd Er167 isotope in a single crystal CaWO4:Er3+. The hyperfine interactions split the ΩR(H→0) curve into eight different curves which are fitted numerically and described analytically. These “spin-orbit qubits” should allow detailed studies of decoherence mechanisms which become relevant at high temperature and open new ways for qubit addressing using properly oriented magnetic fields.

Spin-orbit qubits of rare-earth-metal ions in axially symmetric crystal fields.

PubMed

Bertaina, S; Shim, J H; Gambarelli, S; Malkin, B Z; Barbara, B

2009-11-27

Contrary to the well-known spin qubits, rare-earth-metal qubits are characterized by a strong influence of crystal field due to large spin-orbit coupling. At low temperature and in the presence of resonance microwaves, it is the magnetic moment of the crystal-field ground state which nutates (for several micros) and the Rabi frequency Omega(R) is anisotropic. Here, we present a study of the variations of Omega(R)(H(0)) with the magnitude and direction of the static magnetic field H(0) for the odd 167Er isotope in a single crystal CaWO(4):Er(3+). The hyperfine interactions split the Omega(R)(H(0)) curve into eight different curves which are fitted numerically and described analytically. These "spin-orbit qubits" should allow detailed studies of decoherence mechanisms which become relevant at high temperature and open new ways for qubit addressing using properly oriented magnetic fields.

Thermodynamics around the first-order ferromagnetic phase transition of Fe2P single crystals

NASA Astrophysics Data System (ADS)

Hudl, M.; Campanini, D.; Caron, L.; Höglin, V.; Sahlberg, M.; Nordblad, P.; Rydh, A.

2014-10-01

The specific heat and thermodynamics of Fe2P single crystals around the first-order paramagnetic to ferromagnetic (FM) phase transition at TC≃217 K are empirically investigated. The magnitude and direction of the magnetic field relative to the crystal axes govern the derived H -T phase diagram. Strikingly different phase contours are obtained for fields applied parallel and perpendicular to the c axis of the crystal. In parallel fields, the FM state is stabilized, while in perpendicular fields the phase transition is split into two sections, with an intermediate FM phase where there is no spontaneous magnetization along the c axis. The zero-field transition displays a textbook example of a first-order transition with different phase stability limits on heating and cooling. The results have special significance since Fe2P is the parent material to a family of compounds with outstanding magnetocaloric properties.

Polarization-phase diagnostics of latent course of cholelithiasis in patients with chronic cholecystitis combined with diabetes mellitus type 2

NASA Astrophysics Data System (ADS)

Fediv, O. I.; Ivashchuk, O. I.; Marchuk, Yu. F.; Andriychuk, D. R.

2011-09-01

The principles of optical model of human bile polycrystalline structure are described. The three optical levels - isotropic, liquid-crystal and solid-crystal have been proposed. It has been introduced and proposed the scenarios of phase distribution formation in the boundary field of laser radiation, transformed by bile layers. The experimental scheme of direct measurement of coordinate phase distributions has been presented. The results of investigating the interrelation between the values of correlation and fractal parameters are presented. They characterize the coordinate distributions of phase shifts between the orthogonal components of the amplitude in the points of laser images of bile smears of cholelithiasis patients in combination with other pathologies. The diagnostic criteria of the cholelithiasis nascency and its severity degree differentiation are determined.

Kerr effect in the isotropic phase of a side-chain polymeric liquid crystal

NASA Astrophysics Data System (ADS)

Reys, V.; Dormoy, Y.; Collin, D.; Keller, P.; Martinoty, P.

1992-02-01

The birefringence induced by a pulsed electrical field was used to study the pretransitional effects associated with the isotropic phase of a side-chain polysiloxane. The results obtained show that these effects are characterised by a conventional value of the static exponent and an abnormal value of the dynamic exponent, which shows that the dynamic theory of low molecular weight liquid crystals does not apply. The results also reveal competition between the dipolar moments induced by the electrical field and the permanent moments of the mesogenic molecules. La biréfringence induite par un champ électrique impulsionnel a été utilisée pour étudier les effets prétransitionnels associés à la phase isotrope d'un polysiloxane à chaînes latérales. Les résultats obtenus montrent que ces effets sont caractérisés par une valeur classique de l'exposant statique et une valeur anormale de l'exposant dynamique. Ce dernier résultat montre que la théorie dynamique des cristaux liquides de bas poids moléculaire n'est pas applicable au cas présent. Les expériences mettent également en évidence une compétition entre les moments dipolaires induits par le champ électrique et les moments permanents des molécules mésogènes.

Phase-field study of grain boundary tracking behavior in crack-seal microstructures

NASA Astrophysics Data System (ADS)

Ankit, Kumar; Nestler, Britta; Selzer, Michael; Reichardt, Mathias

2013-12-01

In order to address the growth of crystals in veins, a multiphase-field model is used to capture the dynamics of crystals precipitating from a super-saturated solution. To gain a detailed understanding of the polycrystal growth phenomena in veins, we investigate the influence of various boundary conditions on crystal growth. In particular, we analyze the formation of vein microstructures resulting from the free growth of crystals as well as crack-sealing processes. We define the crystal symmetry by considering the anisotropy in surface energy to simulate crystals with flat facets and sharp corners. The resulting growth competition of crystals with different orientations is studied to deduce a consistent orientation selection rule in the free-growth regime. Using crack-sealing simulations, we correlate the grain boundary tracking behavior depending on the relative rate of crack opening, opening trajectory, initial grain size, and wall roughness. Further, we illustrate how these parameters induce the microstructural transition between blocky (crystals growing anisotropically) to fibrous morphology (isotropic) and formation of grain boundaries. The phase-field simulations of crystals in the free-growth regime (in 2D and 3D) indicate that the growth or consumption of a crystal is dependent on the orientation difference with neighboring crystals. The crack-sealing simulation results (in 2D and 3D) reveal that crystals grow isotropically and grain boundaries track the opening trajectory if the wall roughness is high, opening increments are small, and crystals touch the wall before the next crack increment starts. Further, we find that within the complete crack-seal regime, anisotropy in surface energy results in the formation of curved/oscillating grain boundaries (instead of straight) when the crack-opening velocity is increased and wall roughness is not sufficiently high. Additionally, the overall capability of phase-field method to simulate large-scale polycrystal growth in veins (in 3D) is demonstrated enumerating the main advantages of adopting the novel approach.

A simple proof of orientability in colored group field theory.

PubMed

Caravelli, Francesco

2012-01-01

Group field theory is an emerging field at the boundary between Quantum Gravity, Statistical Mechanics and Quantum Field Theory and provides a path integral for the gluing of n-simplices. Colored group field theory has been introduced in order to improve the renormalizability of the theory and associates colors to the faces of the simplices. The theory of crystallizations is instead a field at the boundary between graph theory and combinatorial topology and deals with n-simplices as colored graphs. Several techniques have been introduced in order to study the topology of the pseudo-manifold associated to the colored graph. Although of the similarity between colored group field theory and the theory of crystallizations, the connection between the two fields has never been made explicit. In this short note we use results from the theory of crystallizations to prove that color in group field theories guarantees orientability of the piecewise linear pseudo-manifolds associated to each graph generated perturbatively. Colored group field theories generate orientable pseudo-manifolds. The origin of orientability is the presence of two interaction vertices in the action of colored group field theories. In order to obtain the result, we made the connection between the theory of crystallizations and colored group field theory.

Ginzburg-Landau theory for the solid-liquid interface of bcc elements. II - Application to the classical one-component plasma, the Wigner crystal, and He-4

NASA Technical Reports Server (NTRS)

Zeng, X. C.; Stroud, D.

1989-01-01

The previously developed Ginzburg-Landau theory for calculating the crystal-melt interfacial tension of bcc elements to treat the classical one-component plasma (OCP), the charged fermion system, and the Bose crystal. For the OCP, a direct application of the theory of Shih et al. (1987) yields for the surface tension 0.0012(Z-squared e-squared/a-cubed), where Ze is the ionic charge and a is the radius of the ionic sphere. Bose crystal-melt interface is treated by a quantum extension of the classical density-functional theory, using the Feynman formalism to estimate the relevant correlation functions. The theory is applied to the metastable He-4 solid-superfluid interface at T = 0, with a resulting surface tension of 0.085 erg/sq cm, in reasonable agreement with the value extrapolated from the measured surface tension of the bcc solid in the range 1.46-1.76 K. These results suggest that the density-functional approach is a satisfactory mean-field theory for estimating the equilibrium properties of liquid-solid interfaces, given knowledge of the uniform phases.

Slotted Photonic Crystal Sensors

PubMed Central

Scullion, Mark G.; Krauss, Thomas F.; Di Falco, Andrea

2013-01-01

Optical biosensors are increasingly being considered for lab-on-a-chip applications due to their benefits such as small size, biocompatibility, passive behaviour and lack of the need for fluorescent labels. The light guiding mechanisms used by many of them results in poor overlap of the optical field with the target molecules, reducing the maximum sensitivity achievable. This review article presents a new platform for optical biosensors, namely slotted photonic crystals, which provide higher sensitivities due to their ability to confine, spatially and temporally, the optical mode peak within the analyte itself. Loss measurements showed values comparable to standard photonic crystals, confirming their ability to be used in real devices. A novel resonant coupler was designed, simulated, and experimentally tested, and was found to perform better than other solutions within the literature. Combining with cavities, microfluidics and biological functionalization allowed proof-of-principle demonstrations of protein binding to be carried out. Higher sensitivities were observed in smaller structures than possible with most competing devices reported in the literature. This body of work presents slotted photonic crystals as a realistic platform for complete on-chip biosensing; addressing key design, performance and application issues, whilst also opening up exciting new ideas for future study. PMID:23503295

Magneto- to electroactive transmutation of spin waves in ErMnO3.

PubMed

Chaix, L; de Brion, S; Petit, S; Ballou, R; Regnault, L-P; Ollivier, J; Brubach, J-B; Roy, P; Debray, J; Lejay, P; Cano, A; Ressouche, E; Simonet, V

2014-04-04

The low-energy dynamical properties of the multiferroic hexagonal perovskite ErMnO3 have been studied by inelastic neutron scattering as well as terahertz and far infrared spectroscopies on a synchrotron source. From these complementary techniques, we have determined the magnon and crystal field spectra and identified a zone center magnon excitable only by the electric field of an electromagnetic wave. Using a comparison with the isostructural YMnO3 compound and crystal field calculations, we propose that this dynamical magnetoelectric process is due to the hybridization of a magnon with an electroactive crystal field transition.

Microscopic study of crystal growth in cryopreservation agent solutions and water.

PubMed

Tao, Le-Ren; Hua, Tse-Chao

2002-10-01

Ice formation inside or outside cells during cryopreservation is evidently the main factor of cryoinjury to cells. In the study described here a high voltage DC electric field and a cryomicroscopic stage were used to test DMSO and NaCl solutions under electric field strengths ranging from 83 kV/m to 320 kV/m. Dendritic ice crystals became asymmetric when the electric field was activated. This change in the ice crystal shape was more pronounced in the ionic NaCl solution. In addition, ice growth of distilled water without an electric field was tested under different cooling rates.

Wide-field imaging of birefringent synovial fluid crystals using lens-free polarized microscopy for gout diagnosis

NASA Astrophysics Data System (ADS)

Zhang, Yibo; Lee, Seung Yoon Celine; Zhang, Yun; Furst, Daniel; Fitzgerald, John; Ozcan, Aydogan

2016-06-01

Gout is a form of crystal arthropathy where monosodium urate (MSU) crystals deposit and elicit inflammation in a joint. Diagnosis of gout relies on identification of MSU crystals under a compensated polarized light microscope (CPLM) in synovial fluid aspirated from the patient’s joint. The detection of MSU crystals by optical microscopy is enhanced by their birefringent properties. However, CPLM partially suffers from the high-cost and bulkiness of conventional lens-based microscopy, and its relatively small field-of-view (FOV) limits the efficiency and accuracy of gout diagnosis. Here we present a lens-free polarized microscope which adopts a novel differential and angle-mismatched polarizing optical design achieving wide-field and high-resolution holographic imaging of birefringent objects with a color contrast similar to that of a standard CPLM. The performance of this computational polarization microscope is validated by imaging MSU crystals made from a gout patient’s tophus and steroid crystals used as negative control. This lens-free polarized microscope, with its wide FOV (>20 mm2), cost-effectiveness and field-portability, can significantly improve the efficiency and accuracy of gout diagnosis, reduce costs, and can be deployed even at the point-of-care and in resource-limited clinical settings.

Wide-field imaging of birefringent synovial fluid crystals using lens-free polarized microscopy for gout diagnosis

PubMed Central

Zhang, Yibo; Lee, Seung Yoon Celine; Zhang, Yun; Furst, Daniel; Fitzgerald, John; Ozcan, Aydogan

2016-01-01

Gout is a form of crystal arthropathy where monosodium urate (MSU) crystals deposit and elicit inflammation in a joint. Diagnosis of gout relies on identification of MSU crystals under a compensated polarized light microscope (CPLM) in synovial fluid aspirated from the patient’s joint. The detection of MSU crystals by optical microscopy is enhanced by their birefringent properties. However, CPLM partially suffers from the high-cost and bulkiness of conventional lens-based microscopy, and its relatively small field-of-view (FOV) limits the efficiency and accuracy of gout diagnosis. Here we present a lens-free polarized microscope which adopts a novel differential and angle-mismatched polarizing optical design achieving wide-field and high-resolution holographic imaging of birefringent objects with a color contrast similar to that of a standard CPLM. The performance of this computational polarization microscope is validated by imaging MSU crystals made from a gout patient’s tophus and steroid crystals used as negative control. This lens-free polarized microscope, with its wide FOV (>20 mm2), cost-effectiveness and field-portability, can significantly improve the efficiency and accuracy of gout diagnosis, reduce costs, and can be deployed even at the point-of-care and in resource-limited clinical settings. PMID:27356625

Effect of the Crystallization Process on the Marginal and Internal Gaps of Lithium Disilicate CAD/CAM Crowns.

PubMed

Kim, Jae-Hong; Oh, Seunghan; Uhm, Soo-Hyuk

2016-01-01

The aim of this study is to quantify the effect of the crystallization process on lithium disilicate ceramic crowns fabricated using a computer-aided design/computer-aided manufacturing (CAD/CAM) system and to determine whether the effect of crystallization is clinically acceptable by comparing values of fit before and after the crystallization process. The mandibular right first molar was selected as the abutment for the experiments. Fifteen working models were prepared. Lithium disilicate crowns appropriate for each abutment were prepared using a commercial CAD/CAM system. Gaps in the marginal area and 4 internal areas of each crown were measured twice-before and after crystallization-using the silicone replica technique. The mean values of fit before and after crystallization were analyzed using a paired t-test to examine whether the conversion that occurred during crystallization affected marginal and internal gaps (α = 0.05). Gaps increased in the marginal area and decreased in the internal areas after crystallization. There were statistically significant differences in all of the investigated areas (P < 0.05). None of the values for marginal and internal fit of lithium disilicate CAD/CAM crowns after crystallization exceeded 120 μm, which is the clinically acceptable threshold.

Non-isothermal crystallization kinetics of eucalyptus lignosulfonate/polyvinyl alcohol composite.

PubMed

Ye, De-Zhan; Zhang, Xi; Gu, Shaojin; Zhou, Yingshan; Xu, Weilin

2017-04-01

The nonisothermal crystallinization kinetic was performed on Polyvinyl alcohol (PVA) mixed with eucalyptus lignosulfonate calcuim (HLS) as the biobased thermal stabilizer, which was systematically analyzed based on Jeziorny model, Ozawa equation and the Mo method. The results indicated that the entire crystallization process took place through two main stages involving the primary and secondary crystallization processes. The Mo method described nonisothermal crystallization behavior well. Based on the results of the half time for completing crystallization, k c value in Jeziorny model, F(T) value in Mo method and crystallization activation energy, it was concluded that low loading of HLS accelerated PVA crystallization process, however, the growth rate of PVA crystallization was impeded at high content of HLS. Copyright © 2017 Elsevier B.V. All rights reserved.

SF-FDTD analysis of a predictive physical model for parallel aligned liquid crystal devices

NASA Astrophysics Data System (ADS)

Márquez, Andrés.; Francés, Jorge; Martínez, Francisco J.; Gallego, Sergi; Alvarez, Mariela L.; Calzado, Eva M.; Pascual, Inmaculada; Beléndez, Augusto

2017-08-01

Recently we demonstrated a novel and simplified model enabling to calculate the voltage dependent retardance provided by parallel aligned liquid crystal devices (PA-LCoS) for a very wide range of incidence angles and any wavelength in the visible. To our knowledge it represents the most simplified approach still showing predictive capability. Deeper insight into the physics behind the simplified model is necessary to understand if the parameters in the model are physically meaningful. Since the PA-LCoS is a black-box where we do not have information about the physical parameters of the device, we cannot perform this kind of analysis using the experimental retardance measurements. In this work we develop realistic simulations for the non-linear tilt of the liquid crystal director across the thickness of the liquid crystal layer in the PA devices. We consider these profiles to have a sine-like shape, which is a good approximation for typical ranges of applied voltage in commercial PA-LCoS microdisplays. For these simulations we develop a rigorous method based on the split-field finite difference time domain (SF-FDTD) technique which provides realistic retardance values. These values are used as the experimental measurements to which the simplified model is fitted. From this analysis we learn that the simplified model is very robust, providing unambiguous solutions when fitting its parameters. We also learn that two of the parameters in the model are physically meaningful, proving a useful reverse-engineering approach, with predictive capability, to probe into internal characteristics of the PA-LCoS device.

Strong anisotropy of electric field effects on uniaxial relaxor ferroelectric Sr0.75Ba0.25Nb2O6 crystals proved by acoustic emission

NASA Astrophysics Data System (ADS)

Dul'kin, E.; Kojima, S.; Roth, M.

2018-01-01

[001] oriented Sr0.75Ba0.25Nb2O6 uniaxial relaxor ferroelectric crystals have been studied by acoustic emission in the temperature range of 20÷200 °C and under an external electric field up to 1 kV/cm. Under the application of an electric field the temperature of a dielectric maximum exhibits a nontrivial behavior: it remains constant at first, secondly steep decreases down to some threshold field, and thirdly starts to increase as a field enhances, whereas the same temperature of a dielectric maximum under a bias electric field to [100] oriented Sr0.75Ba0.25Nb2O6 crystals exhibits a smoothed minimum before the start to increase as a field enhances (E. Dul'kin et al., J. Appl. Phys. 110, 044106 (2011)). Such a difference of electric field effects in c- and a-cut crystals is discussed from the viewpoint of random-bond-random-field model of relaxor ferroelectrics. By the comparison between experimental and theoretical data, a dipole moment of the PNR was estimated to be 0.1 (C cm).

Semiconductor crystal growth in crossed electric and magnetic fields: Center Director's Discretionary Fund

NASA Technical Reports Server (NTRS)

Mazuruk, K.; Volz, M. P.

1996-01-01

A unique growth cell was designed in which crossed electric and magnetic fields could be separately or simultaneously applied during semiconductor crystal growth. A thermocouple was inserted into an InSb melt inside the growth cell to examine the temperature response of the fluid to applied electromagnetic fields. A static magnetic field suppressed time-dependent convection when a destabilizing thermal field was applied. The simultaneous application of electric and magnetic fields resulted in forced convection in the melt. The InSb ingots grown in the cell were polycrystalline. An InGaSb crystal, 0.5 cm in diameter and 23-cm long, was grown without electromagnetic fields applied. The axial composition results indicated that complete mixing in the melt occurred for this large aspect ratio.

Measurement of spatio-temporal field distribution of THz pulses in electro-optic crystal by interferometry method

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

Chizhov, P A; Ushakov, A A; Bukin, V V

2015-05-31

We propose a scheme for measuring the spatial distribution of the THz pulse electric field strength in an electro-optic crystal using optical interferometry. The resulting images of the field distribution from a test source with a spherical wave front are presented. (extreme light fields and their applications)

Study of Fluid Flow Control In Protein Crystallization Using Strong Magnetic Fields

NASA Technical Reports Server (NTRS)

Ramachandran, N.; Leslie, F.; Ciszak, E.; Curreri, Peter A. (Technical Monitor)

2002-01-01

An important component in biotechnology, particularly in the area of protein engineering and rational drug design is the knowledge of the precise three-dimensional molecular structure of proteins. The quality of structural information obtained from X-ray diffraction methods is directly dependent on the degree of perfection of the protein crystals. As a consequence, the growth of high quality macromolecular crystals for diffraction analyses has been the central focus for biochemists, biologists, and bioengineers. Macromolecular crystals are obtained from solutions that contain the crystallizing species in equilibrium with higher aggregates, ions, precipitants, other possible phases of the protein, foreign particles, the walls of the container, and a likely host of other impurities. By changing transport modes in general, i.e., reduction of convection and sedimentation, as is achieved in 'microgravity', researchers have been able to dramatically affect the movement and distribution of macromolecules in the fluid, and thus their transport, formation of crystal nuclei, and adsorption to the crystal surface. While a limited number of high quality crystals from space flights have been obtained, as the recent National Research Council (NRC) review of the NASA microgravity crystallization program pointed out, the scientific approach and research in crystallization of proteins has been mainly empirical yielding inconclusive results. We postulate that we can reduce convection in ground-based experiments and we can understand the different aspects of convection control through the use of strong magnetic fields and field gradients. Whether this limited convection in a magnetic field will provide the environment for the growth of high quality crystals is still a matter of conjecture that our research will address. The approach exploits the variation of fluid magnetic susceptibility with concentration for this purpose and the convective damping is realized by appropriately positioning the crystal growth cell so that the magnetic susceptibility force counteracts terrestrial gravity. The general objective is to test the hypothesis of convective control using a strong magnetic field and magnetic field gradient and to understand the nature of the various forces that come into play. Specifically we aim to delineate causative factors and to quantify them through experiments, analysis and numerical modeling. Once the basic understanding is obtained, the study will focus on testing the hypothesis on proteins of pyruvate dehydrogenase complex (PDC), proteins E1 and E3. Obtaining high crystal quality of these proteins is of great importance to structural biologists since their structures need to be determined.

Isothermal Analysis of the Crystallization Kinetics in Lithium Disilicate Glass using Trans Temp Furnace

NASA Technical Reports Server (NTRS)

Fuss, T.; Ray, C. S.; Day, D. E.

2006-01-01

Crystallization kinetics for lithium disilicate, Li2O2SiO2, (LS2) glass has been studied extensively by nonisothermal methods, but only a few studies on the isothermal crystallization kinetics of LS2 are available. In the present research, isothermal crystallization experiments or the LS2 glass were conducted in a Trans Temp furnace between 600 and 635 C, and selected properties such as the activation energy for crystallization (E), crystal growth index or Avrami parameter (n), the concentration of quenched-in nuclei in the starting glass (Ni) and the crystal nucleation rate (I) were measured. The crystal nucleation rate (I) was measured at only one selected temperature of 452 C, at this time. This commercial furnace has a 13 cm long isothermal heating zone (+/- 1 C) that allows precise heat treatment of relatively large samples. By placing a thermocouple within approx. 2 mm of the sample, it was possible to detect the heat of crystallization in the form of an isothermal crystallization exotherm during isothermal heat treatment of the sample. The values of E (318 plus or minus 10 kJ/mol), n (3.6 plus or minus 0.l), and N(sub i) (1.6 x 10(exp l2) m(sup -3)) calculated by analyzing these isotherms using the standard Johnson-Mehl-Avrami (JMA) equation were reproducible and in agreement with the literature values. The value of I, 1.9 x 10(exp 10) m(sup -3) s(sup -1) at 452 C, is an order of magnitude higher than the reported value for LS2.

Evolution of magnetic properties and microstructure of Hf2Co11B alloys

DOE PAGES

McGuire, Michael A.; Rios, Orlando

2015-02-05

Amorphous Hf 2Co 11B alloys produced by melt-spinning have been crystallized by annealing at 500-800 °C, and the products have been investigated using magnetization measurements, x-ray diffraction, and scanning electron microscopy. The results reveal the evolution of the phase fractions, microstructure, and magnetic properties with both annealing temperature and time. Crystallization of the phase denoted HfCo 7, which is associated with the development of coercivity, occurs slowly at 500 °C. Annealing at intermediate temperatures produces mixed phase samples containing some of the HfCo 7 phase with the highest values of remanent magnetization and coercivity. The equilibrium structure at 800 °Cmore » contains HfCo3B 2, Hf 6Co 23 and Co, and displays soft ferromagnetism. Maximum values for the remanent magnetization, intrinsic coercivity, and magnetic energy product among the samples are approximately 5.2 kG, 2.0 kOe, and 3.1 MGOe, respectively, which indicates that the significantly higher values observed in crystalline, melt-spun Hf 2Co 11B ribbons are a consequence of the non-equilibrium solidification during the melt-spinning process. Application of high magnetic fields during annealing is observed to strongly affect the microstructural evolution, which may provide access to higher performance materials in Zr/Hf-Co hard ferromagnets. The crystal structure of HfCo 7 and the related Zr analogues is unknown, and without knowledge of atomic positions powder diffraction cannot distinguish among proposed unit cells and symmetries found in the literature.« less

TT-Cut Torsional Quartz Crystal Resonators of Free-Free Bar-Type

NASA Astrophysics Data System (ADS)

Kawashima, Hirofumi; Nakazato, Mitsuhiro

1994-05-01

This paper describes a TT-cut torsional quartz crystal resonator of free-free bar type. An object of this paper is to clarify the frequency temperature behavior, series resistance and a quality factor for TT-cut torsional quartz crystal resonators of free-free bar-type. The analysis results are then compared with the measured data. The principal results indicate that the calculated values of frequency temperature behavior for resonators of free-free bar-type agree comparatively well with the measured ones. Similar to the torsional resonators of tuning fork-type, a torsional quartz crystal resonator of free-free bar-type is also found to have an absolute value of the second order temperature coefficient β smaller than half a value of that for a flexural mode quartz crystal resonator.

The Fano-type transmission and field enhancement in heterostructures composed of epsilon-near-zero materials and truncated photonic crystals

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

Zhang, Zhi-fang; Jiang, Hai-tao, E-mail: davies2000@163.com, E-mail: jiang-haitao@tongji.edu.cn; Li, Yun-hui

2013-11-11

The Fano-type interference effect is studied in the heterostructure composed of an epsilon-near-zero (ENZ) material and a truncated photonic crystal for transverse magnetic polarized light. In the Fano-type interference effect, the ENZ material provides narrow reflection pathway and the photonic crystal provides broadband reflection pathway. The boundary condition across the ENZ interface and the confinement effect provided by the photonic crystal can enhance the electric fields in the ENZ material greatly. The field enhancements, together with the asymmetric property of Fano-type spectrum, possess potential applications for significantly lowering the threshold of nonlinear processes such as optical switching and bistability.

Phase-field-crystal model for ordered crystals

NASA Astrophysics Data System (ADS)

Alster, Eli; Elder, K. R.; Hoyt, Jeffrey J.; Voorhees, Peter W.

2017-02-01

We describe a general method to model multicomponent ordered crystals using the phase-field-crystal (PFC) formalism. As a test case, a generic B2 compound is investigated. We are able to produce a line of either first-order or second-order order-disorder phase transitions, features that have not been incorporated in existing PFC approaches. Further, it is found that the only elastic constant for B2 that depends on ordering is C11. This B2 model is then used to study antiphase boundaries (APBs). The APBs are shown to reproduce classical mean-field results. Dynamical simulations of ordering across small-angle grain boundaries predict that dislocation cores pin the evolution of APBs.

The Crystallization of Work Values in Adolescence: A Sociocultural Approach.

ERIC Educational Resources Information Center

Krau, Edgar

1987-01-01

Investigated crystallization of work values in adolescence through the normative approach which relies on conception of value enculturation. Results from 913 ninth- and twelfth-graders from Jewish, Arab, and Catholic monastic schools. Supported hypothesis that source of work values is the subculture of the social group of affiliation, which has…

Synthesis and characterization of the heavy-fermion compound CePtAl 4Ge 2

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

Shin, Soohyeon; Rosa, Priscila Ferrari Silveira; Ronning, Filip

Here, we report the synthesis of the Ce-based quaternary compound CePtAl 4Ge 2 that crystallizes in the trigonal structure (space group R 3¯m, 166) with unit cell parameters, a = 4.1995(5) Å, c = 31.851(7) Å, and γ = 120°. Powder X-ray diffraction and energy dispersive X-ray spectroscopy show that CePtAl 4Ge 2 (LaPtAl 4Ge 2) is in a single, homogeneous phase. Magnetic susceptibility, electrical resistivity, and heat capacity measurements of CePtAl 4Ge 2 show that it exhibits antiferromagnetic behavior below 2.3 K. The magnetic susceptibility for the magnetic field applied perpendicular (χ ab) and parallel (χ c) to themore » crystalline c-axis is very anisotropic, and the susceptibility ratio (χ ab/χ c) reaches a maximum value of 10, indicating that the spin easy axis is within the Ce plane. The entropy recovered at T N is consistent with the doublet ground state of the crystal field split J = 5/2 multiplet of Ce 3+ ions.« less

Molecular Imprinting Technology in Quartz Crystal Microbalance (QCM) Sensors.

PubMed

Emir Diltemiz, Sibel; Keçili, Rüstem; Ersöz, Arzu; Say, Rıdvan

2017-02-24

Molecularly imprinted polymers (MIPs) as artificial antibodies have received considerable scientific attention in the past years in the field of (bio)sensors since they have unique features that distinguish them from natural antibodies such as robustness, multiple binding sites, low cost, facile preparation and high stability under extreme operation conditions (higher pH and temperature values, etc.). On the other hand, the Quartz Crystal Microbalance (QCM) is an analytical tool based on the measurement of small mass changes on the sensor surface. QCM sensors are practical and convenient monitoring tools because of their specificity, sensitivity, high accuracy, stability and reproducibility. QCM devices are highly suitable for converting the recognition process achieved using MIP-based memories into a sensor signal. Therefore, the combination of a QCM and MIPs as synthetic receptors enhances the sensitivity through MIP process-based multiplexed binding sites using size, 3D-shape and chemical function having molecular memories of the prepared sensor system toward the target compound to be detected. This review aims to highlight and summarize the recent progress and studies in the field of (bio)sensor systems based on QCMs combined with molecular imprinting technology.

Giant volume magnetostriction in the Y{sub 2}Fe{sub 17} single crystal at room temperature

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

Nikitin, S. A., E-mail: nikitin@phys.msu.ru; Pankratov, N. Yu.; Smarzhevskaya, A. I.

2015-05-21

An investigation of the Y{sub 2}Fe{sub 17} compound belonging to the class of intermetallic alloys of rare-earth and 3d-transition metals is presented. The magnetization, magnetostriction, and thermal expansion of the Y{sub 2}Fe{sub 17} single crystal were studied. The forced magnetostriction and magnetostriction constants were investigated in the temperature range of the magnetic ordering close to the room temperature. The giant field induced volume magnetostriction was discovered in the room temperature region in the magnetic field up to 1.2 T. The contributions of both anisotropic single-ion and isotropic pair exchange interactions to the volume magnetostriction and magnetostriction constants were determined. The experimentalmore » results were interpreted within the framework of the Standard Theory of Magnetostriction and the Landau thermodynamic theory. It was found out that the giant values of the volume magnetostriction were caused by the strong dependence of the 3d-electron Coulomb charge repulsion on the deformations and width of the 3d-electron energy band.« less

Synthesis and characterization of the heavy-fermion compound CePtAl 4Ge 2

DOE PAGES

Shin, Soohyeon; Rosa, Priscila Ferrari Silveira; Ronning, Filip; ...

2017-12-18

Here, we report the synthesis of the Ce-based quaternary compound CePtAl 4Ge 2 that crystallizes in the trigonal structure (space group R 3¯m, 166) with unit cell parameters, a = 4.1995(5) Å, c = 31.851(7) Å, and γ = 120°. Powder X-ray diffraction and energy dispersive X-ray spectroscopy show that CePtAl 4Ge 2 (LaPtAl 4Ge 2) is in a single, homogeneous phase. Magnetic susceptibility, electrical resistivity, and heat capacity measurements of CePtAl 4Ge 2 show that it exhibits antiferromagnetic behavior below 2.3 K. The magnetic susceptibility for the magnetic field applied perpendicular (χ ab) and parallel (χ c) to themore » crystalline c-axis is very anisotropic, and the susceptibility ratio (χ ab/χ c) reaches a maximum value of 10, indicating that the spin easy axis is within the Ce plane. The entropy recovered at T N is consistent with the doublet ground state of the crystal field split J = 5/2 multiplet of Ce 3+ ions.« less

Removal of phosphorus-rich phase from high-phosphorous iron ore by melt separation at 1573 K in a super-gravity field

NASA Astrophysics Data System (ADS)

Gao, Jin-tao; Guo, Lei; Zhong, Yi-wei; Ren, Hong-ru; Guo, Zhan-cheng

2016-07-01

A new approach of removing the phosphorus-rich phase from high-phosphorous iron ore by melt separation at 1573 K in a super- gravity field was investigated. The iron-slag separation by super-gravity resulted in phosphorus being effectively removed from the iron-rich phase and concentrated as a phosphorus-rich phase at a temperature below the melting point of iron. The samples obtained by super-gravity exhibited obvious layered structures. All the iron grains concentrated at the bottom of the sample along the super-gravity direction, whereas the molten slag concentrated in the upper part of the sample along the opposite direction. Meanwhile, fine apatite crystals collided and grew into larger crystals and concentrated at the slag-iron interface. Consequently, in the case of centrifugation with a gravity coefficient of G = 900, the mass fractions of the slag phase and iron-rich phase were similar to their respective theoretical values. The mass fraction of MFe in the iron-rich phase was as high as 97.77wt% and that of P was decreased to 0.092wt%.

Effects of trace elements on the crystal field parameters of Nd ions at the surface of Nd{sub 2}Fe{sub 14}B grains

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

Toga, Yuta; Suzuki, Tsuneaki; Sakuma, Akimasa, E-mail: sakuma@solid.apph.tohoku.ac.jp

2015-06-14

Using first-principles calculations, we investigate the positional dependence of trace elements such as O and Cu on the crystal field parameter A{sub 2}{sup 0}, proportional to the magnetic anisotropy constant K{sub u} of Nd ions placed at the surface of Nd{sub 2}Fe{sub 14}B grains. The results suggest the possibility that the A{sub 2}{sup 0} parameter of Nd ions at the (001) surface of Nd{sub 2}Fe{sub 14}B grains exhibits a negative value when the O or Cu atom is located near the surface, closer than its equilibrium position. At the (110) surface, however, O atoms located at the equilibrium position providemore » a negative A{sub 2}{sup 0}, while for Cu additions A{sub 2}{sup 0} remains positive regardless of Cu's position. Thus, Cu atoms are expected to maintain a positive local K{sub u} of surface Nd ions more frequently than O atoms when they approach the grain surfaces in the Nd-Fe-B grains.« less

Response of Halimeda to ocean acidification: Field and laboratory evidence

USGS Publications Warehouse

Robbins, L.L.; Knorr, P.O.; Hallock, P.

2009-01-01

Rising atmospheric pCO2 levels are changing ocean chemistry more dramatically now than in the last 20 million years. In fact, pHvalues of the open ocean have decreased by 0.1 since the 1800s and are predicted to decrease 0.1-0.4 globally in the next 90 years. Ocean acidification will affect fundamental geochemical and biological processes including calcification and carbonate sediment production. The west Florida shelf is a natural laboratory to examine the effects of ocean acidification on aragonite production by calcareous green algae. Scanning electron microscopy (SEM) of crystal morphology of calcifying organisms reveals ultrastructural details of calcification that occurred at different saturation states. Comparison of archived and recent specimens of calcareous green alga Halimeda spp. from the west Florida shelf, demonstrates crystal changes in shape and abundance over a 40+ year time span. Halimeda crystal data from apical sections indicate that increases in crystal concentration and decreases in crystal width occurred over the last 40+ years. Laboratory experiments using living specimens of Halimeda grown in environments with known pH values were used to constrain historical observations. Percentages of organic and inorganic carbon per sample weight of pooled species did not significantly change. However, individual species showed decreased inorganic carbon and increased organic carbon in more recent samples, although the sample sizes were limited. These results indicate that the effect of increased pCO 2 and decreased pH on calcification is reflected in the crystal morphology of this organism. More data are needed to confirm the observed changes in mass of crystal and organic carbon. ?? Author(s) 2009.

A Technique for Rapidly Deploying a Concentration Gradient with Applications to Microgravity

NASA Technical Reports Server (NTRS)

Leslie, Fred; Ramachandran, Narayanan

2000-01-01

The latter half of the last century has seen rapid advancements in semiconductor crystal growth powered by the demand for high performance electronics in myriad applications. The reduced gravity environment of space has also been used for crystal growth tests, especially in instances where terrestrial growth has largely been unsuccessful. While reduced gravity crystal growth affords some control of the gravity parameter, many crystals grown in space, to date, have structural flaws believed to result from convective motions during the growth phase. The character of these instabilities is not well understood but is associated with thermal and solutal density variations near the solidification interface in the presence of residual gravity and g-jitter. In order to study these instabilities in a separate, controlled space experiment, a concentration gradient would first have to be artificially established in a timely manner as an initial condition. This is generally difficult to accomplish in a microgravity environment because the momentum of the fluid injected into a test cell tends to swirl around and mix in the absence of a restoring force. The use of magnetic fields to control the motion and position of liquids has received growing interest in recent times. The possibility of using the force exerted by a non-uniform magnetic field on a ferrofluid to not only achieve fluid manipulation but also to actively control fluid motion makes it an attractive candidate for space applications. This paper describes a technique for quickly establishing a linear or exponential fluid concentration gradient using a magnetic field in place of gravity to stabilize the deployment. Also discussed is a photometric technique for measuring the concentration profile using light attenuation. Results of the ground-based experiments indicate that the concentration distribution is within 3% of the predicted value. Although any range of concentations can be realized, photometric constraints are discussed which impose some limitations on measurements.

Remarkably improved field emission of TiO{sub 2} nanotube arrays by annealing atmosphere engineering

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

Liao, Ai-Zhen; Wang, Cheng-Wei, E-mail: cwwang@nwnu.edu.cn; Chen, Jian-Biao

2015-10-15

Highlights: • TNAs were prepared by anodization and annealed in different atmospheres. • The crystal structure and electronic properties of the prepared TNAs were investigated. • The field emission of TNAs was highly dependent on annealing atmosphere. • A low turn-on of 2.44 V/μm was obtained for TNAs annealed in H{sub 2} atmosphere. - Abstract: Highly ordered TiO{sub 2} nanotube arrays (TNAs) were prepared by anodization, and followed by annealing in the atmospheres of Air, Vacuum, Ar, and H{sub 2}. The effect of annealing atmosphere on the crystal structure, composition, and electronic properties of TNAs were systematically investigated. Raman andmore » EDS results indicated that the TNAs annealed in anaerobic atmospheres contained more oxygen vacancies, which result in the substantially improved electron transport properties and reduced work function. Moreover, it was found that the FE properties of TNAs were highly dependent on the annealing atmosphere. By engineering the annealing atmosphere, the turn-on field as low as 2.44 V/μm can be obtained from TNAs annealed in H{sub 2}, which was much lower than the value of 18.23 V/μm from the TNAs annealed in the commonly used atmosphere of Air. Our work suggests an instructive and attractive way to fabricate high performance TNAs field emitters.« less

Probing periodic potential of crystals via strong-field re-scattering

NASA Astrophysics Data System (ADS)

You, Yong Sing; Cunningham, Eric; Reis, David A.; Ghimire, Shambhu

2018-06-01

Strong-field ionization and re-scattering phenomena have been used to image angstrom-scale structures of isolated molecules in the gas phase. These methods typically make use of the anisotropic response of the participating molecular orbital. Recently, an anisotropic strong-field response has also been observed in high-order harmonic generation (HHG) from bulk crystals (2016 Nat. Phys. 13 345). In a (100) cut magnesium oxide crystal, extreme ultraviolet high-harmonics are found to depend strongly on the crystal structure and inter-atomic bonding. Here, we extend these measurements to other two important crystal orientations: (111) and (110). We find that HHG from these orientations is also strongly anisotropic. The underlying dynamics is understood using a real-space picture, where high-harmonics are produced via coherent collision of strong-field driven electrons from the atomic sites, including from the nearest neighbor atoms. We find that harmonic efficiency is enhanced when semi-classical electron trajectories connect to the concentrated valence charge distribution regions around the atomic cores. Similarly, the efficiency is suppressed when the trajectories miss the atomic cores. These results further support the real-space picture of HHG with implications for retrieving the periodic potential of the crystal, if not the wavefunctions in three-dimensions.

Orientation-dependent structural and photocatalytic properties of LaCoO3 epitaxial nano-thin films

NASA Astrophysics Data System (ADS)

Zhang, Yan-ping; Liu, Hai-feng; Hu, Hai-long; Xie, Rui-shi; Ma, Guo-hua; Huo, Ji-chuan; Wang, Hai-bin

2018-02-01

LaCoO3 epitaxial films were grown on (100), (110) and (111) oriented LaAlO3 substrates by the polymer-assisted deposition method. Crystal structure measurement and cross-section observation indicate that all the LaCoO3 films are epitaxially grown in accordance with the orientation of LaAlO3 substrates, with biaxial compressive strain in the ab plane. Owing to the different strain directions of CoO6 octahedron, the mean Co-O bond length increases by different amounts in (100), (110) and (111) oriented films compared with that of bulk LaCoO3, and the (100) oriented LaCoO3 has the largest increase. Photocatalytic degradation of methyl orange indicates that the order of photocatalytic activity of the three oriented films is (100) > (111) > (110). Combined with analysis of electronic nature and band structure for LaCoO3 films, it is found that the change of the photocatalytic activity is closely related to the crystal field splitting energy of Co3+ and Co-O binding energy. The increase in the mean Co-O bond length will decrease the crystal field splitting energy of Co3+ and Co-O binding energy and further reduce the value of band gap energy, thus improving the photocatalytic activity. This may also provide a clue for expanding the visible-light-induced photocatalytic application of LaCoO3.

Photonic time crystals.

PubMed

Zeng, Lunwu; Xu, Jin; Wang, Chengen; Zhang, Jianhua; Zhao, Yuting; Zeng, Jing; Song, Runxia

2017-12-07

When space (time) translation symmetry is spontaneously broken, the space crystal (time crystal) forms; when permittivity and permeability periodically vary with space (time), the photonic crystal (photonic time crystal) forms. We proposed the concept of photonic time crystal and rewritten the Maxwell's equations. Utilizing Finite Difference Time Domain (FDTD) method, we simulated electromagnetic wave propagation in photonic time crystal and photonic space-time crystal, the simulation results show that more intensive scatter fields can obtained in photonic time crystal and photonic space-time crystal.

A preliminary review of organic materials single crystal growth by the Czochralski technique

NASA Astrophysics Data System (ADS)

Penn, B. G.; Shields, A. W.; Frazier, D. O.

1988-09-01

The growth of single crystals of organic compounds by the Czochralski method is reviewed. From the literature it is found that single crystals of benzil, a nonlinear optical material with a d sub 11 value of 11.2 + or - 1.5 x d sub 11 value of alpha quartz, has fewer dislocations than generally contained in Bridgman crystals. More perfect crystals were grown by repeated Czochralski growth. This consists of etching away the defect-containing portion of a Czochralski grown crystal and using it as a seed for further growth. Other compounds used to grow single crystals are benzophenone, 12-tricosanone (laurone), and salol. The physical properties, growth apparatus, and processing conditions presented in the literature are discussed. Moreover, some of the possible advantages of growing single crystals of organic compounds in microgravity to obtain more perfect crystals than on Earth are reviewed.

A preliminary review of organic materials single crystal growth by the Czochralski technique

NASA Technical Reports Server (NTRS)

Penn, B. G.; Shields, A. W.; Frazier, D. O.

1988-01-01

The growth of single crystals of organic compounds by the Czochralski method is reviewed. From the literature it is found that single crystals of benzil, a nonlinear optical material with a d sub 11 value of 11.2 + or - 1.5 x d sub 11 value of alpha quartz, has fewer dislocations than generally contained in Bridgman crystals. More perfect crystals were grown by repeated Czochralski growth. This consists of etching away the defect-containing portion of a Czochralski grown crystal and using it as a seed for further growth. Other compounds used to grow single crystals are benzophenone, 12-tricosanone (laurone), and salol. The physical properties, growth apparatus, and processing conditions presented in the literature are discussed. Moreover, some of the possible advantages of growing single crystals of organic compounds in microgravity to obtain more perfect crystals than on Earth are reviewed.

Patterning technology for solution-processed organic crystal field-effect transistors

PubMed Central

Li, Yun; Sun, Huabin; Shi, Yi; Tsukagoshi, Kazuhito

2014-01-01

Organic field-effect transistors (OFETs) are fundamental building blocks for various state-of-the-art electronic devices. Solution-processed organic crystals are appreciable materials for these applications because they facilitate large-scale, low-cost fabrication of devices with high performance. Patterning organic crystal transistors into well-defined geometric features is necessary to develop these crystals into practical semiconductors. This review provides an update on recentdevelopment in patterning technology for solution-processed organic crystals and their applications in field-effect transistors. Typical demonstrations are discussed and examined. In particular, our latest research progress on the spin-coating technique from mixture solutions is presented as a promising method to efficiently produce large organic semiconducting crystals on various substrates for high-performance OFETs. This solution-based process also has other excellent advantages, such as phase separation for self-assembled interfaces via one-step spin-coating, self-flattening of rough interfaces, and in situ purification that eliminates the impurity influences. Furthermore, recommendations for future perspectives are presented, and key issues for further development are discussed. PMID:27877656

Dipole moment and solvatochromism of benzoic acid liquid crystals: Tuning the dipole moment and molecular orbital energies by substituted Au under external electric field

NASA Astrophysics Data System (ADS)

Sıdır, Yadigar Gülseven; Sıdır, İsa; Demiray, Ferhat

2017-06-01

The optical absorption and steady-state fluorescence spectra of 4-heptyloxybenzoic acid (4hoba), 4-octyloxybenzoic acid (4ooba) and 4-nonyloxybenzoic acid (4noba) liquid crystals have been measured in a series of different polarity organic solvents. The ground state (μg) and excited state (μe) dipole moments of the monomeric and dimeric 4-alkyloxybenzoic acid liquid crystals have been obtained by means of different solvatochromic shift methods. HOMO-LUMO gaps (HLG) and dipole moments have been tuned by applying external electric (EF) field on monomer, dimer and Au substituted monomer and dimer liquid crystal structures. By applying external electric field, Au substituted monomer liquid crystals display semiconductor character, while Au substituted dimer liquid crystals gain metallic character under E = 0.04 V/Å. Eventuated specific and non-specific interactions between solvent and solute in solvent medium have been expounded by using LSER (Linear Solvation Energy Relationships).

Stability of Detached Solidification

NASA Technical Reports Server (NTRS)

Mazuruk, K.; Volz, M. P.; Croell, A.

2009-01-01

Bridgman crystal growth can be conducted in the so-called "detached" solidification regime, where the growing crystal is detached from the crucible wall. A small gap between the growing crystal and the crucible wall, of the order of 100 micrometers or less, can be maintained during the process. A meniscus is formed at the bottom of the melt between the crystal and crucible wall. Under proper conditions, growth can proceed without collapsing the meniscus. The meniscus shape plays a key role in stabilizing the process. Thermal and other process parameters can also affect the geometrical steady-state stability conditions of solidification. The dynamic stability theory of the shaped crystal growth process has been developed by Tatarchenko. It consists of finding a simplified autonomous set of differential equations for the radius, height, and possibly other process parameters. The problem then reduces to analyzing a system of first order linear differential equations for stability. Here we apply a modified version of this theory for a particular case of detached solidification. Approximate analytical formulas as well as accurate numerical values for the capillary stability coefficients are presented. They display an unexpected singularity as a function of pressure differential. A novel approach to study the thermal field effects on the crystal shape stability has been proposed. In essence, it rectifies the unphysical assumption of the model that utilizes a perturbation of the crystal radius along the axis as being instantaneous. It consists of introducing time delay effects into the mathematical description and leads, in general, to stability over a broader parameter range. We believe that this novel treatment can be advantageously implemented in stability analyses of other crystal growth techniques such as Czochralski and float zone methods.

Crystal Growth of II-VI Semiconducting Alloys by Directional Solidification

NASA Technical Reports Server (NTRS)

Lehoczky, Sandor L.; Szofran, Frank R.; Su, Ching-Hua; Cobb, Sharon D.; Scripa, Rosalia A.; Sha, Yi-Gao

1999-01-01

This research study is investigating the effects of a microgravity environment during the crystal growth of selected II-VI semiconducting alloys on their compositional, metallurgical, electrical and optical properties. The on-going work includes both Bridgman-Stockbarger and solvent growth methods, as well as growth in a magnetic field. The materials investigated are II-VI, Hg(1-x)Zn(x)Te, and Hg(1-x)Zn(x)Se, where x is between 0 and 1 inclusive, with particular emphasis on x-values appropriate for infrared detection and imaging in the 5 to 30 micron wavelength region. Wide separation between the liquidus and solidus of the phase diagrams with consequent segregation during solidification and problems associated with the high volatility of one of the components (Hg), make the preparation of homogeneous, high-quality, bulk crystals of the alloys an extremely difficult nearly an impossible task in a gravitational environment. The three-fold objectives of the on-going investigation are as follows: (1) To determine the relative contributions of gravitationally-driven fluid flows to the compositional redistribution observed during the unidirectional crystal growth of selected semiconducting solid solution alloys having large separation between the liquidus and solidus of the constitutional phase diagram; (2) To ascertain the potential role of irregular fluid flows and hydrostatic pressure effects in generation of extended crystal defects and second-phase inclusions in the crystals; and, (3) To obtain a limited amount of "high quality" materials needed for bulk crystal property characterizations and for the fabrication of various device structures needed to establish ultimate material performance limits. The flight portion of the study was to be accomplished by performing growth experiments using the Crystal Growth Furnace (CGF) manifested to fly on various Spacelab missions.

Collective vortex pinning and merging of the irreversibility line and second peak effect in optimally doped Ba1-xKxBiO3 single crystals

NASA Astrophysics Data System (ADS)

Jiao, Yanjing; Cheng, Wang; Deng, Qiang; Yang, Huan; Wen, Hai-Hu

2018-02-01

Measurements on magnetization and relaxation have been carried out on an optimally doped Ba1-xKxBiO3+δ single crystal with Tc = 31.3 K. Detailed analysis is undertaken on the data. Both the dynamical relaxation and conventional relaxation have been measured leading to the self-consistent determination of the magnetization relaxation rate. It is found that the data are well described by the collective pinning model leading to the glassy exponent of about μ ≈ 1.64-1.68 with the magnetic fields of 1 and 3 T. The analysis based on Maley's method combining with the conventional relaxation data allows us to determine the current dependent activation energy U which yields a μ value of about 1.23-1.29 for the magnetic fields of 1 and 3 T. The second magnetization peaks appear in wide temperature region from 2 K to 24 K. The separation between the second peak field and the irreversibility field becomes narrow when temperature is increased. When the two fields are close to each other, we find that the second peak evolves into a step-like transition of magnetization. Finally, we present a vortex phase diagram and demonstrate that the vortex dynamics in Ba1-xKxBiO3 can be used as a model system for studying the collective vortex pining.

Magnetic field induced random pulse trains of magnetic and acoustic noises in martensitic single-crystal Ni2MnGa

NASA Astrophysics Data System (ADS)

Daróczi, Lajos; Piros, Eszter; Tóth, László Z.; Beke, Dezső L.

2017-07-01

Jerky magnetic and acoustic noises were evoked in a single variant martensitic Ni2MnGa single crystal (produced by uniaxial compression) by application of an external magnetic field along the hard magnetization direction. It is shown that after reaching the detwinning threshold, spontaneous reorientation of martensite variants (twins) leads not only to acoustic emission but magnetic two-directional noises as well. At small magnetic fields, below the above threshold, unidirectional magnetic emission is also observed and attributed to a Barkhausen-type noise due to magnetic domain wall motions during magnetization along the hard direction. After the above first run, in cycles of decreasing and increasing magnetic field, at low-field values, weak, unidirectional Barkhausen noise is detected and attributed to the discontinuous motion of domain walls during magnetization along the easy magnetization direction. The magnetic noise is also measured by constraining the sample in the same initial variant state along the hard direction and, after the unidirectional noise (as obtained also in the first run), a two-directional noise package is developed and it is attributed to domain rotations. From the statistical analysis of the above noises, the critical exponents, characterizing the power-law behavior, are calculated and compared with each other and with the literature data. Time correlations within the magnetic as well as acoustic signals lead to a common scaled power function (with β =-1.25 exponent) for both types of signals.

Low-energy electron diffraction from ferroelectric surfaces: Dead layers and surface dipoles in clean Pb(Zr ,Ti )O 3(001 )

NASA Astrophysics Data System (ADS)

Teodorescu, Cristian M.; Pintilie, Lucian; Apostol, Nicoleta G.; Costescu, Ruxandra M.; Lungu, George A.; Hrib, LuminiÅ£a.; Trupinǎ, Lucian; Tǎnase, Liviu C.; Bucur, Ioana C.; Bocîrnea, Amelia E.

2017-09-01

The positions of the low energy electron diffraction (LEED) spots from ferroelectric single crystal films depend on its polarization state, due to electric fields generated outside of the sample. One may derive the surface potential energy, yielding the depth where the mobile charge carriers compensating the depolarization field are located (δ ). On ferroelectric Pb (Zr ,Ti ) O3 (001) samples, surface potential energies are between 6.7 and 10.6 eV, and δ values are unusually low, in the range of 1.8 ±0.4 Å . When δ is introduced in the values of the band bending inside the ferroelectric, a considerably lower value of the dielectric constant and/or of the polarization near the surface than their bulk values is obtained, evidencing either that the intrinsic `dielectric constant' of the material has this lower value or the existence of a `dead layer' at the free surface of clean ferroelectric films. The inwards polarization of these films is explained in the framework of the present considerations by the formation of an electron sheet on the surface. Possible explanations are suggested for discrepancies between the values found for surface potential energies from LEED experiments and those derived from the transition between mirror electron microscopy and low energy electron microscopy.

Crystal Field in Rare-Earth Complexes: From Electrostatics to Bonding.

PubMed

Alessandri, Riccardo; Zulfikri, Habiburrahman; Autschbach, Jochen; Bolvin, Hélène

2018-04-11

The flexibility of first-principles (ab initio) calculations with the SO-CASSCF (complete active space self-consistent field theory with a treatment of the spin-orbit (SO) coupling by state interaction) method is used to quantify the electrostatic and covalent contributions to crystal field parameters. Two types of systems are chosen for illustration: 1) The ionic and experimentally well-characterized PrCl 3 crystal; this study permits a revisitation of the partition of contributions proposed in the early days of crystal field theory; and 2) a series of sandwich molecules [Ln(η n -C n H n ) 2 ] q , with Ln=Dy, Ho, Er, and Tm and n=5, 6, and 8, in which the interaction between Ln III and the aromatic ligands is more difficult to describe within an electrostatic approach. It is shown that a model with three layers of charges reproduces the electrostatic field generated by the ligands and that the covalency plays a qualitative role. The one-electron character of crystal field theory is discussed and shown to be valuable, although it is not completely quantitative. This permits a reduction of the many-electron problem to a discussion of the energy of the seven 4f orbitals. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Space-Time Crystals of Trapped Ions

DTIC Science & Technology

2012-10-15

Spontaneous symmetry breaking can lead to the formation of time crystals, as well as spatial crystals. Here we propose a space- time crystal of...fields with fractional fluxes. The persistent rotation of trapped ions produces the temporal order, leading to the formation of a space- time crystal . We

Effects of a High Magnetic Field on the Microstructure of Ni-Based Single-Crystal Superalloys During Directional Solidification

NASA Astrophysics Data System (ADS)

Xuan, Weidong; Lan, Jian; Liu, Huan; Li, Chuanjun; Wang, Jiang; Ren, Weili; Zhong, Yunbo; Li, Xi; Ren, Zhongming

2017-08-01

High magnetic fields are widely used to improve the microstructure and properties of materials during the solidification process. During the preparation of single-crystal turbine blades, the microstructure of the superalloy is the main factor that determines its mechanical properties. In this work, the effects of a high magnetic field on the microstructure of Ni-based single-crystal superalloys PWA1483 and CMSX-4 during directional solidification were investigated experimentally. The results showed that the magnetic field modified the primary dendrite arm spacing, γ' phase size, and microsegregation of the superalloys. In addition, the size and volume fractions of γ/ γ' eutectic and the microporosity were decreased in a high magnetic field. Analysis of variance (ANOVA) results showed that the effect of a high magnetic field on the microstructure during directional solidification was significant ( p < 0.05). Based on both experimental results and theoretical analysis, the modification of microstructure was attributed to thermoelectric magnetic convection occurring in the interdendritic regions under a high magnetic field. The present work provides a new method to optimize the microstructure of Ni-based single-crystal superalloy blades by applying a high magnetic field.

Floor tile glass-ceramic glaze for improvement of the resistance to surface abrasion

NASA Astrophysics Data System (ADS)

Gajek, M.; Lis, J.; Partyka, J.; Wójczyk, M.

2011-10-01

The results of research aimed at the study on frits and glass-ceramic glazes for floor tiles, based on compositions located in the primary field of cordierite crystallization within the system MgO-Al2O3-SiO2, have been presented. The results comprise investigations on the frits crystallization abilities, stability of the crystallizing phase under conditions of single-stage a fast firing cycle (time below 60 minutes) depending on their chemical composition and the influence of the nucleation agents. The influence of the nucleating agents namely TiO2, ZrO2, V2O5 on phase composition of obtained crystalline glazes, mechanical parameters and microstructure, has been examined. The strength tests proved increased mechanical resistance of crystalline glazes. Obtained glazes are characterized by high microhardness in range 6~8 GPa, as well as the increased wear resistance measured by the loss of weight below 100 mg / 55 cm2 (PN-EN ISO 10545-7). Significant increase of these parameters as compared with non-crystalline glazes, where micro-hardness values range between 5~6 GPa and the wear resistance values range from 120 to 200 mg, has been proved. Starting glasses (frits) and glazes of the ternary system MgO-SiO2-Al2O3, were examined with use of DTA, XRD and SEM methods.

Reverse-mode microdroplet liquid crystal display

NASA Astrophysics Data System (ADS)

Ma, Yao-Dong; Wu, Bao Gang; Xu, Gang

1990-04-01

This paper presents the production of the a reverse-mode microdroplet liquid crystal (RMLC) light shutter display. In this unit, the display is formed by a thin polymer film with dispersed liquid crystal microdroplets. The display is light transmissive in the absence of an applied electrical field. The display is converted to a non-transmissive state (i.e. absorbing or scattering) when an electrical field is applied. The "off' and "on" state. of this display are thus exactly opposite to that encountered in "normal-mode" microdroplet liquid crystal display devices such as polymer dispersed liquid crystals (PDLC)15 or Nematic Curvilinear Aligned Phase (NCAP)6. The Reverse Mode Microdroplet Liquid Crystal is obtained by modification of the surface energy of the polymer which encases liquid crystals via reaction of a dopant incorporated inside of the microdroplet during the droplet formation within the inside polymer layer. The liquid crystal used in RMLC is of negative dielectric anisotropy.

Field-induced charge transport at the surface of pentacene single crystals: A method to study charge dynamics of two-dimensional electron systems in organic crystals

NASA Astrophysics Data System (ADS)

Takeya, J.; Goldmann, C.; Haas, S.; Pernstich, K. P.; Ketterer, B.; Batlogg, B.

2003-11-01

A method has been developed to inject mobile charges at the surface of organic molecular crystals, and the dc transport of field-induced holes has been measured at the surface of pentacene single crystals. To minimize damage to the soft and fragile surface, the crystals are attached to a prefabricated substrate which incorporates a gate dielectric (SiO2) and four probe pads. The surface mobility of the pentacene crystals ranges from 0.1 to 0.5 cm2/V s and is nearly temperature independent above ˜150 K, while it becomes thermally activated at lower temperatures when the induced charges become localized. Ruling out the influence of electric contacts and crystal grain boundaries, the results contribute to the microscopic understanding of trapping and detrapping mechanisms in organic molecular crystals.

A drunken search in crystallization space.

PubMed

Fazio, Vincent J; Peat, Thomas S; Newman, Janet

2014-10-01

The REMARK280 field of the Protein Data Bank is the richest open source of successful crystallization information. The REMARK280 field is optional and currently uncurated, so significant effort needs to be applied to extract reliable data. There are well over 15 000 crystallization conditions available commercially from 12 different vendors. After putting the PDB crystallization information and the commercial cocktail data into a consistent format, these data are used to extract information about the overlap between the two sets of crystallization conditions. An estimation is made as to which commercially available conditions are most appropriate for producing well diffracting crystals by looking at which commercial conditions are found unchanged (or almost unchanged) in the PDB. Further analyses include which commercial kits are the most appropriate for shotgun or more traditional approaches to crystallization screening. This analysis suggests that almost 40% of the crystallization conditions found currently in the PDB are identical or very similar to a commercial condition.

Single-shot terahertz time-domain spectroscopy in pulsed high magnetic fields.

PubMed

Noe, G Timothy; Katayama, Ikufumi; Katsutani, Fumiya; Allred, James J; Horowitz, Jeffrey A; Sullivan, David M; Zhang, Qi; Sekiguchi, Fumiya; Woods, Gary L; Hoffmann, Matthias C; Nojiri, Hiroyuki; Takeda, Jun; Kono, Junichiro

2016-12-26

We have developed a single-shot terahertz time-domain spectrometer to perform optical-pump/terahertz-probe experiments in pulsed, high magnetic fields up to 30 T. The single-shot detection scheme for measuring a terahertz waveform incorporates a reflective echelon to create time-delayed beamlets across the intensity profile of the optical gate beam before it spatially and temporally overlaps with the terahertz radiation in a ZnTe detection crystal. After imaging the gate beam onto a camera, we can retrieve the terahertz time-domain waveform by analyzing the resulting image. To demonstrate the utility of our technique, we measured cyclotron resonance absorption of optically excited carriers in the terahertz frequency range in intrinsic silicon at high magnetic fields, with results that agree well with published values.

Measurement of the penetration depth and coherence length of MgB 2 in all directions using transmission electron microscopy

NASA Astrophysics Data System (ADS)

Loudon, J. C.; Yazdi, S.; Kasama, T.; Zhigadlo, N. D.; Karpinski, J.

2015-02-01

We demonstrate that images of flux vortices in a superconductor taken with a transmission electron microscope can be used to measure the penetration depth and coherence length in all directions at the same temperature and magnetic field. This is particularly useful for MgB 2, where these quantities vary with the applied magnetic field and values are difficult to obtain at low field or in the c direction. We obtained images of flux vortices from a MgB 2 single crystal cut in the a c plane by focused ion beam milling and tilted to 45∘ with respect to the electron beam about the crystallographic a axis. A new method was developed to simulate these images that accounted for vortices with a nonzero core in a thin, anisotropic superconductor and a simplex algorithm was used to make a quantitative comparison between the images and simulations to measure the penetration depths and coherence lengths. This gave penetration depths Λa b=100 ±35 nm and Λc=120 ±15 nm at 10.8 K in a field of 4.8 mT. The large error in Λa b is a consequence of tilting the sample about a and had it been tilted about c , the errors on Λa b and Λc would be reversed. Thus obtaining the most precise values requires taking images of the flux lattice with the sample tilted in more than one direction. In a previous paper [J. C. Loudon et al., Phys. Rev. B 87, 144515 (2013), 10.1103/PhysRevB.87.144515], we obtained a more precise value for Λa b using a sample cut in the a b plane. Using this value gives Λa b=107 ±8 nm, Λc=120 ±15 nm, ξa b=39 ±11 nm, and ξc=35 ±10 nm, which agree well with measurements made using other techniques. The experiment required two days to conduct and does not require large-scale facilities. It was performed on a very small sample, 30 ×15 μ m and 200-nm thick, so this method could prove useful for superconductors where only small single crystals are available, as is the case for some iron-based superconductors.

Crystal growth of organics for nonlinear optical applications

NASA Technical Reports Server (NTRS)

Singh, N. B.; Mazelsky, R.

1993-01-01

The crystal growth and characterization of organic and inorganic nonlinear optical materials were extensively studied. For example, inorganic crystals such as thallium arsenic selenide were studied in our laboratory for several years and crystals in sizes over 2.5 cm in diameter are available. Organic crystals are suitable for the ultraviolet and near infrared region, but are relatively less developed than their inorganic counterparts. Very high values of the second harmonic conversion efficiency and the electro-optic coefficient were reported for organic compounds. Single crystals of a binary organic alloy based on m.NA and CNA were grown and higher second harmonic conversion efficiency than the values reported for m.NA were observed.

Frequency Control: Proceedings of the 40th Annual Symposium on held in Philadelphia, Pennsylvania on 28-30 May 1986

DTIC Science & Technology

1986-05-30

nonuniform and in part not specified. The actual values of the calculable quantities listed in TABLE IV and obtained on the basis of 61 observations of...is zero. GROUND FOR Since there are no known data on frequency shifts of PPER ELECTRODE. WHEN USED crystals for such nonuniform fields and voltages...PROTECTED BY US COPYRIGHT’ distribution of motional activity. In practical IRE National Convention Record, Part 6, cases, the nonuniform mode shape

Liquid-phase characterization of molecular interactions in polyunsaturated and n-fatty acid methyl esters by (1)H low-field nuclear magnetic resonance.

PubMed

Meiri, Nitzan; Berman, Paula; Colnago, Luiz Alberto; Moraes, Tiago Bueno; Linder, Charles; Wiesman, Zeev

2015-01-01

To identify and develop the best renewable and low carbon footprint biodiesel substitutes for petroleum diesel, the properties of different biodiesel candidates should be studied and characterized with respect to molecular structures versus biodiesel liquid property relationships. In our previous paper, (1)H low-field nuclear magnetic resonance (LF-NMR) relaxometry was investigated as a tool for studying the liquid-phase molecular packing interactions and morphology of fatty acid methyl esters (FAMEs). The technological potential was demonstrated with oleic acid and methyl oleate standards having similar alkyl chains but different head groups. In the present work, molecular organization versus segmental and translational movements of FAMEs in their pure liquid phase, with different alkyl chain lengths (10-20 carbons) and degrees of unsaturation (0-3 double bonds), were studied with (1)H LF-NMR relaxometry and X-ray, (1)H LF-NMR diffusiometry, and (13)C high-field NMR. Based on density values and X-ray measurements, it was proposed that FAMEs possess a liquid crystal-like order above their melting point, consisting of random liquid crystal aggregates with void spaces between them, whose morphological properties depend on chain length and degree of unsaturation. FAMEs were also found to exhibit different degrees of rotational and translational motions, which were rationalized by chain organization within the clusters, and the degree and type of molecular interactions and temperature effects. At equivalent fixed temperature differences from melting point, saturated FAME molecules were found to have similar translational motion regardless of chain length, expressed by viscosity, self-diffusion coefficients, and spin-spin (T 2) (1)H LF-NMR. T 2 distributions suggest increased alkyl chain rigidity, and reduced temperature response of the peaks' relative contribution with increasing unsaturation is a direct result of the alkyl chain's morphological packing and molecular interactions. Both the peaks' assignments for T 2 distributions of FAMEs and the model for their liquid crystal-like morphology in the liquid phase were confirmed. The study of morphological structures within liquids and their response to temperature changes by (1)H LF-NMR has a high value in the field of biodiesel and other research and applied disciplines in numerous physicochemical- and organizational-based properties, processes, and mechanisms of alkyl chains, molecular interactions, and morphologies.

Influence of initial seed distribution on the pattern formation of the phase field crystals

NASA Astrophysics Data System (ADS)

Starodumov, Ilya; Galenko, Peter; Kropotin, Nikolai; Alexandrov, Dmitri V.

2017-11-01

The process of crystal growth can be expressed as a transition of atomic structure to a finally stable state or to a metastable state. In the Phase Field Crystal Model (PFC-model) these states are described by regular distributions of the atomic density. Getting the system into any metastable condition may be caused by the peculiarities of the computational domain, initial and boundary conditions. However, an important factor in the formation of the crystal structure can be the initial disturbance. In the report we show how different types of initial disturbance can change the finally stable state of crystal structure in equilibrium.

An Apparatus for Growth of Small Crystals From Solutions.

ERIC Educational Resources Information Center

Mitrovic, Mico M.

1995-01-01

Describes an apparatus for crystal growth that was designed to study growth kinetics of small crystals from solutions and to obtain crystals of various substances. Describes the use of the apparatus in laboratory practical experiments in the field of crystal growth physics within the course "Solid State Physics". (JRH)

Studies on Se75Te25-x In x chalcogenide glasses; a material for phase change memory

NASA Astrophysics Data System (ADS)

Srivastava, Archana; Tiwari, S. N.; Alvi, M. A.; Khan, Shamshad A.

2018-01-01

This research paper describes the non-isothermal crystallization during phase transformation in Se75Te25-x In x glasses synthesized by melt quenching method. For crystallization studies in these glasses, non-isothermal differential scanning calorimetry (DSC) measurements was done at constant heating rates of 5, 10, 15, 20 and 25 K min-1 in air atmosphere. The glass transition temperature (T g), on-set crystallization temperature (T c), peak crystallization temperature (T p) and melting temperatures (T m) were derived by DSC thermograms. Using various thermal parameters the activation energy of glass transition and crystallization were determined by using Kissinger, Moynihan and Ozawa approaches and found to be in good agreement. The value of the activation energy of glass transition (ΔE t) was found to be minimum for Se75Te19In6 alloys confirming its maximum probability of transition in a metastable state. Thermal stability parameters of Se75Te25-x In x were determined and found to be increased with indium content. High resolution x-ray diffraction and field emission scanning electron microscopy studies were employed for the study of phase transformation in Se75Te25-x In x glasses. The outcome of these studies shows that the investigated materials may be suitable for phase change memory devices.

Electronic transport in graphene-based heterostructures

NASA Astrophysics Data System (ADS)

Tan, J. Y.; Avsar, A.; Balakrishnan, J.; Koon, G. K. W.; Taychatanapat, T.; O'Farrell, E. C. T.; Watanabe, K.; Taniguchi, T.; Eda, G.; Castro Neto, A. H.; Özyilmaz, B.

2014-05-01

While boron nitride (BN) substrates have been utilized to achieve high electronic mobilities in graphene field effect transistors, it is unclear how other layered two dimensional (2D) crystals influence the electronic performance of graphene. In this Letter, we study the surface morphology of 2D BN, gallium selenide (GaSe), and transition metal dichalcogenides (tungsten disulfide (WS2) and molybdenum disulfide (MoS2)) crystals and their influence on graphene's electronic quality. Atomic force microscopy analysis shows that these crystals have improved surface roughness (root mean square value of only ˜0.1 nm) compared to conventional SiO2 substrate. While our results confirm that graphene devices exhibit very high electronic mobility (μ) on BN substrates, graphene devices on WS2 substrates (G/WS2) are equally promising for high quality electronic transport (μ ˜ 38 000 cm2/V s at room temperature), followed by G/MoS2 (μ ˜ 10 000 cm2/V s) and G/GaSe (μ ˜ 2200 cm2/V s). However, we observe a significant asymmetry in electron and hole conduction in G/WS2 and G/MoS2 heterostructures, most likely due to the presence of sulphur vacancies in the substrate crystals. GaSe crystals are observed to degrade over time even under ambient conditions, leading to a large hysteresis in graphene transport making it a less suitable substrate.

A new 28Si single crystal: counting the atoms for the new kilogram definition

NASA Astrophysics Data System (ADS)

Bartl, G.; Becker, P.; Beckhoff, B.; Bettin, H.; Beyer, E.; Borys, M.; Busch, I.; Cibik, L.; D'Agostino, G.; Darlatt, E.; Di Luzio, M.; Fujii, K.; Fujimoto, H.; Fujita, K.; Kolbe, M.; Krumrey, M.; Kuramoto, N.; Massa, E.; Mecke, M.; Mizushima, S.; Müller, M.; Narukawa, T.; Nicolaus, A.; Pramann, A.; Rauch, D.; Rienitz, O.; Sasso, C. P.; Stopic, A.; Stosch, R.; Waseda, A.; Wundrack, S.; Zhang, L.; Zhang, X. W.

2017-10-01

A new single crystal from isotopically enriched silicon was used to determine the Avogadro constant N A by the x-ray-crystal density method. The new crystal, named Si28-23Pr11, has a higher enrichment than the former ‘AVO28’ crystal allowing a smaller uncertainty of the molar mass determination. Again, two 1 kg spheres were manufactured from this crystal. The crystal and the spheres were measured with improved and new methods. One sphere, Si28kg01a, was measured at NMIJ and PTB with very consistent results. The other sphere, Si28kg01b, was measured only at PTB and yielded nearly the same Avogadro constant value. The mean result for both 1 kg spheres is N A  =  6.022 140 526(70)  ×  1023 mol-1 with a relative standard uncertainty of 1.2  ×  10-8. This value deviates from the Avogadro value published in 2015 for the AVO28 crystal by about 3.9(2.1)  ×  10-8. Possible reasons for this difference are discussed and additional measurements are proposed.

Effect of Li and NH4 doping on the crystal perfection, second harmonic generation efficiency and laser damage threshold of potassium pentaborate crystals

NASA Astrophysics Data System (ADS)

Vigneshwaran, A. N.; Kalainathan, S.; Raja, C. Ramachandra

2018-03-01

Potassium pentaborate (KB5) is an excellent nonlinear optical material especially in the UV region. In this work, Li and NH4 doped KB5 crystals were grown using slow evaporation solution growth method. The incorporation of dopant has been confirmed and analysed by Energy dispersive X-ray analysis (EDAX), Inductively coupled plasma (ICP) analysis and Raman spectroscopy. The crystalline perfection of pure and doped KB5 crystals was studied by High resolution X-ray diffraction (HRXRD) analysis. Structural grain boundaries were observed in doped crystals. Second harmonic generation was confirmed for pure and doped crystals and output values revealed the enhancement of SHG efficiency in doped crystals. Resistance against laser damage was carried out using 1064 nm Nd-YAG laser of pulse width 10 ns. The laser damage threshold value is increased in Li doped crystal and decreased in NH4 doped crystal when compared to pure KB5 crystal.

Large magnetoresistance and Fermi surface study of Sb2Se2Te single crystal

NASA Astrophysics Data System (ADS)

Shrestha, K.; Marinova, V.; Graf, D.; Lorenz, B.; Chu, C. W.

2017-09-01

We have studied the magnetotransport properties of a Sb2Se2Te single crystal. Magnetoresistance (MR) is maximum when the magnetic field is perpendicular to the sample surface and reaches a value of 1100% at B = 31 T with no sign of saturation. MR shows Shubnikov de Haas (SdH) oscillations above B = 15 T. The frequency spectrum of SdH oscillations consists of three distinct peaks at α = 32 T, β = 80 T, and γ = 117 T indicating the presence of three Fermi surface pockets. Among these frequencies, β is the prominent peak in the frequency spectrum of SdH oscillations measured at different tilt angles of the sample with respect to the magnetic field. From the angle dependence β and Berry phase calculations, we have confirmed the trivial topology of the β-pocket. The cyclotron masses of charge carriers, obtained by using the Lifshitz-Kosevich formula, are found to be mβ*=0.16mo and m γ*=0.63 mo for the β and γ bands, respectively. The Large MR of Sb2Se2Te is suitable for utilization in electronic instruments such as computer hard discs, high field magnetic sensors, and memory devices.

Tunable magnetic properties and magnetocaloric effect of off-stoichiometric LaMnO3 nanoparticles

NASA Astrophysics Data System (ADS)

Tola, P. S.; Kim, H. S.; Kim, D. H.; Phan, T. L.; Rhyee, J. S.; Shon, W. H.; Yang, D. S.; Manh, D. H.; Lee, B. W.

2017-12-01

The crystal and electronic structures and the magnetic and magnetocaloric properties of off-stoichiometric LaMnO3 nanoparticles (NPs) with various particle sizes D = 20-100 nm were studied. The Rietveld refinement revealed that all NPs were crystallized in the rhombohedral structure, with varied structural parameters dependent on D. Magnetization (M) measurements indicated a considerable difference between zero-field-cooled and field-cooled magnetizations at temperatures below ferromagnetic-paramagnetic (FM-PM) phase transition, particularly for the samples with D = 25-40 nm. These results are ascribed to spin-glass-like behaviors and magnetic inhomogeneity. We also found the possibility of tuning the FM-PM phase transition temperature (TC) from 77 to 262 K, which is dependent on both D and W (the eg-electron bandwidth). Under an applied field of H = 50 kOe, the absolute maximum magnetic entropy change that achieved around TC can be improved from 4.02 J kg-1 K-1 for D = 40 nm to 6.36 Jṡ kg-1ṡ K-1 for D = 100 nm, corresponding to the relative-cooling-power values of 241-245 Jṡ kg-1. We also analyzed the data of M and magnetic entropy change based on theoretical models to further understand the magnetic property and phase-transition type of the NP samples.

Study on influence of growth conditions on position and shape of crystal/melt interface of alkali lead halide crystals at Bridgman growth

NASA Astrophysics Data System (ADS)

Král, Robert

2012-12-01

Suitable conditions for growth of high quality single crystals of ternary alkali lead halides prepared by a Bridgman method were explored using direct observation of a crystal/melt interface when pulling an ampoule out of a furnace, deliberated striations' induction and measurement of a temperature field in the filled ampoule in the vertical Bridgman arrangement, as model compounds lead chloride and ternary rubidium lead bromide were used. By direct observation only position of the crystal/melt interface was markedly determined, while by induced striations both the position and the shape of the interface were visualized but their contrast had to be intensified by adding admixtures. Performed temperature measurements in the filled ampoule brought both a view of temperature field in the 3D radial symmetry and basic data for comparison of a real temperature field with those obtained by projected modeling.

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

Fukao, Shinji; Nakanishi, Yoshikazu; Mizoguchi, Tadahiro

X-rays are radiated due to the bremsstrahlung caused by the collision of electrons with a metal target placed opposite the negative electric surface of a crystal by changing the temperature of a LiNbO{sub 3} single crystal uniaxially polarized in the c-axis direction. It is suggested that both electric field intensity and electron density determine the intensity of X-ray radiation. Electrons are supplied by the ionization of residual gas in space, field emission from a case inside which a crystal is located, considered to be due to the high electric-field intensity formed by the surface charges on the crystal, and anmore » external electron source, such as a thermionic source. In a high vacuum, it was found that the electrons supplied by electric-field emission mainly contribute to the radiation of X-rays. It was found that the integrated intensity of X-rays can be maximized by supplying electrons both external and by electric-field emission. Furthermore, the integrated intensity of the X-rays is stable for many repeated temperature changes.« less

Vacuum electrolysis of quartz

DOEpatents

King, James Claude

1976-01-13

The disclosure is directed to a method for processing quartz used in fabricating crystal resonators such that transient frequency change of resonators exposed to pulse irradiation is virtually eliminated. The method involves heating the crystal quartz in a hydrogen-free atmosphere while simultaneously applying an electric field in the Z-axis direction of the crystal. The electric field is maintained during the cool-down phase of the process.

Switching plastic crystals of colloidal rods with electric fields

PubMed Central

Liu, Bing; Besseling, Thijs H.; Hermes, Michiel; Demirörs, Ahmet F.; Imhof, Arnout; van Blaaderen, Alfons

2014-01-01

When a crystal melts into a liquid both long-ranged positional and orientational order are lost, and long-time translational and rotational self-diffusion appear. Sometimes, these properties do not change at once, but in stages, allowing states of matter such as liquid crystals or plastic crystals with unique combinations of properties. Plastic crystals/glasses are characterized by long-ranged positional order/frozen-in-disorder but short-ranged orientational order, which is dynamic. Here we show by quantitative three-dimensional studies that charged rod-like colloidal particles form three-dimensional plastic crystals and glasses if their repulsions extend significantly beyond their length. These plastic phases can be reversibly switched to full crystals by an electric field. These new phases provide insight into the role of rotations in phase behaviour and could be useful for photonic applications. PMID:24446033

Switching plastic crystals of colloidal rods with electric fields

NASA Astrophysics Data System (ADS)

Liu, Bing; Besseling, Thijs H.; Hermes, Michiel; Demirörs, Ahmet F.; Imhof, Arnout; van Blaaderen, Alfons

2014-01-01

When a crystal melts into a liquid both long-ranged positional and orientational order are lost, and long-time translational and rotational self-diffusion appear. Sometimes, these properties do not change at once, but in stages, allowing states of matter such as liquid crystals or plastic crystals with unique combinations of properties. Plastic crystals/glasses are characterized by long-ranged positional order/frozen-in-disorder but short-ranged orientational order, which is dynamic. Here we show by quantitative three-dimensional studies that charged rod-like colloidal particles form three-dimensional plastic crystals and glasses if their repulsions extend significantly beyond their length. These plastic phases can be reversibly switched to full crystals by an electric field. These new phases provide insight into the role of rotations in phase behaviour and could be useful for photonic applications.

Solution-processed, Self-organized Organic Single Crystal Arrays with Controlled Crystal Orientation

PubMed Central

Kumatani, Akichika; Liu, Chuan; Li, Yun; Darmawan, Peter; Takimiya, Kazuo; Minari, Takeo; Tsukagoshi, Kazuhito

2012-01-01

A facile solution process for the fabrication of organic single crystal semiconductor devices which meets the demand for low-cost and large-area fabrication of high performance electronic devices is demonstrated. In this paper, we develop a bottom-up method which enables direct formation of organic semiconductor single crystals at selected locations with desired orientations. Here oriented growth of one-dimensional organic crystals is achieved by using self-assembly of organic molecules as the driving force to align these crystals in patterned regions. Based upon the self-organized organic single crystals, we fabricate organic field effect transistor arrays which exhibit an average field-effect mobility of 1.1 cm2V−1s−1. This method can be carried out under ambient atmosphere at room temperature, thus particularly promising for production of future plastic electronics. PMID:22563523

Polymer dispersed nematic liquid crystal for large area displays and light valves

NASA Astrophysics Data System (ADS)

Drzaic, Paul S.

1986-09-01

A new electro-optical material based on nematic liquid crystal dispersed in a polymer matrix has recently been introduced by Fergason. This technology (termed NCAP, for nematic curvilinear aligned phase) is suitable for making very large area (thousands of square centimeter) light valves and displays. The device consists of micron size droplets of liquid crystal dispersed in and surrounded by a polymer film. Light passing through the film in the absence of an applied field is strongly forward scattered, giving a milky, translucent film. Application of an electric field across the liquid crystal/polymer film places the film in a highly transparent state. Pleochroic dyes may be employed in the system in order to achieve controllable light absorption as well as scattering. Microscopically, it is shown that the liquid-crystal director lies preferentially parallel to the polymer wall, leading to a bipolar-like configuration of the liquid-crystal directors within the droplet. The symmetry axes of the droplets are randomly oriented in the unpowered, scattering state, but align parallel to the field in the powered, transparent state. The electric field required to reorient a given droplet varies inversely with the diameter of that droplet, and it is shown that the macroscopic electro-optical properties of the film can be modeled if the distribution of liquid-crystal droplet sizes is known.

X-ray diffraction, spectroscopic and mechanical studies on potential organic NLO materials of metaNitroaniline and N-3-Nitrophenyl Acetamide single crystals

NASA Astrophysics Data System (ADS)

Senthil, S.; Madhavan, J.

2015-02-01

In the present paper, attempts were made to grow good quality metaNitroaniline (mNA) and N-3-Nitrophenyl (3-NAA) single crystals. The lattice parameter values from the Powder X-ray diffraction pattern confirms that mNA belongs to orthorhombic crystal system with the unit cell parameter values of a = 6.501 Å, b = 19.330 Å and c = 5.082 Å with space group Pbc21. Similarly the powder XRD data indicates that 3-NAA crystal retained its monoclinic structure with lattice parameter values a = 9.762 Å, b =13.287 Å, c =13.226 Å, and β = 102.99°. Investigation has been carried out to assign the vibrational frequencies of the grown crystals by Fourier Transform infrared spectroscopy technique. The SHG efficiency of mNA and 3NAA was determined by Kurtz and Perry powder technique. The Optical absorption study confirms the suitability of the crystals for device applications. The mechanical properties of the grown crystals have been studied using Vickers microhardness tester.

Tunable two-dimensional photonic crystals using liquid crystal infiltration

NASA Astrophysics Data System (ADS)

Leonard, S. W.; Mondia, J. P.; van Driel, H. M.; Toader, O.; John, S.; Busch, K.; Birner, A.; Gösele, U.; Lehmann, V.

2000-01-01

The photonic band gap of a two-dimensional photonic crystal is continuously tuned using the temperature dependent refractive index of a liquid crystal. Liquid crystal E7 was infiltrated into the air pores of a macroporous silicon photonic crystal with a triangular lattice pitch of 1.58 μm and a band gap wavelength range of 3.3-5.7 μm. After infiltration, the band gap for the H polarized field shifted dramatically to 4.4-6.0 μm while that of the E-polarized field collapsed. As the sample was heated to the nematic-isotropic phase transition temperature of the liquid crystal (59 °C), the short-wavelength band edge of the H gap shifted by as much as 70 nm while the long-wavelength edge was constant within experimental error. Band structure calculations incorporating the temperature dependence of the liquid crystal birefringence can account for our results and also point to an escaped-radial alignment of the liquid crystal in the nematic phase.

A sensor for vector electric field measurements through a nonlinear anisotropic optical crystal

NASA Astrophysics Data System (ADS)

Barbieri, Luca; Gondola, Marco; Potenza, Marco; Villa, Andrea; Malgesini, Roberto

2017-11-01

Electrical applications require the development of electric field sensors that can reproduce vector electric field waveforms with a very large spectral width ranging from 50 Hz to at least 70 MHz. This makes it possible to measure both the normal operation modes of electrical components and abnormal behaviors such as the corona emission and partial discharges. In this work, we aim to develop a fully dielectric sensor capable of measuring two components of the electric field using a wide class of optical crystals including anisotropic ones, whereas most of the efforts in this field have been devoted to isotropic crystals. We report the results of the measurements performed at 50 Hz and with a lightning impulse, to validate the sensor.

The Effect of the Wall Contact and Post-Growth C001-Down on Defects in CdTe Crystals Grown by Contactless PVT

NASA Technical Reports Server (NTRS)

Palosz, W.; Grasza, K.; Dudley, M.; Raghothamachar, B.; Cai, L.; Durose, K.; Halliday, D.; Boyall, N. M.; Rose, M. Franklin (Technical Monitor)

2001-01-01

In crystal growth, the quality of the final material may depend, among other factors, on its interaction with the walls of the ampoule during and after the growth, and on the rate of the crystal cool-down at the end of ate the process. To investigate the above phenomena, a series of CdTe crystal growth processes was carried out, The crystals were grown by physical vapor transport without contact with the side walls of the silica glass ampoules, applying the Low Supersaturation Nucleation technique. The source temperature was 930 C, the undercooling was a few degrees. The crystals, having the diameter of 25 mm, grew at the rate of a few mm per day. The post-growth cool-down to the room temperature was conducted at different rates, and lasted from a few minutes to four days. The crystals were characterized using chemical etching low temperature luminescence, and Synchrotron White Beam X-ray Topography techniques. The dislocation (etch pit) density was measured and its distribution was analyzed by comparison with Poisson curves and with the Normalized Radial Distribution Correlation Function. It was found that the contact of the crystal with silica leads to a strain field and high (in the 105 sq cm range) dislocation (etch pit) density. Similar defect concentrations were found in crystals subjected to fast post-growth cool-down. Typical EPD values for lower cool-down rates and in regions not affected by wall interactions are in the lower 10(exp 4) sq cm range. In some areas the actual dislocation density was about 10(exp 3) sq cm or even less. No apparent effect of the cool-down rate on polygonization was observed. A fine structure could be discerned in low-temperature PL spectra of crystals with low dislocation density.

Dislocation dynamics and crystal plasticity in the phase-field crystal model

NASA Astrophysics Data System (ADS)

Skaugen, Audun; Angheluta, Luiza; Viñals, Jorge

2018-02-01

A phase-field model of a crystalline material is introduced to develop the necessary theoretical framework to study plastic flow due to dislocation motion. We first obtain the elastic stress from the phase-field crystal free energy under weak distortion and show that it obeys the stress-strain relation of linear elasticity. We focus next on dislocations in a two-dimensional hexagonal lattice. They are composite topological defects in the weakly nonlinear amplitude equation expansion of the phase field, with topological charges given by the standard Burgers vector. This allows us to introduce a formal relation between the dislocation velocity and the evolution of the slowly varying amplitudes of the phase field. Standard dissipative dynamics of the phase-field crystal model is shown to determine the velocity of the dislocations. When the amplitude expansion is valid and under additional simplifications, we find that the dislocation velocity is determined by the Peach-Koehler force. As an application, we compute the defect velocity for a dislocation dipole in two setups, pure glide and pure climb, and compare it with the analytical predictions.

The Effects of Impurities on Protein Crystal Growth and Nucleation: A Preliminary Study

NASA Technical Reports Server (NTRS)

Schall, Constance A.

1998-01-01

Kubota and Mullin (1995) devised a simple model to account for the effects of impurities on crystal growth of small inorganic and organic molecules in aqueous solutions. Experimentally, the relative step velocity and crystal growth of these molecules asymptotically approach zero or non-zero values with increasing concentrations of impurities. Alternatively, the step velocity and crystal growth can linearly approach zero as the impurity concentration increases. The Kubota-Mullin model assumes that the impurity exhibits Langmuirian adsorption onto the crystal surface. Decreases in step velocities and subsequent growth rates are related to the fractional coverage (theta) of the crystal surface by adsorbed impurities; theta = Kx / (I +Kx), x = mole fraction of impurity in solution. In the presence of impurities, the relative step velocity, V/Vo, and the relative growth rate of a crystal face, G/Go, are proposed to conform to the following equations: V/Vo approx. = G/Go = 1 - (alpha)(theta). The adsorption of impurity is assumed to be rapid and in quasi-equilibrium with the crystal surface sites available. When the value of alpha, an effectiveness factor, is one the growth will asymptotically approach zero with increasing concentrations of impurity. At values less than one, growth approaches a non-zero value asymptotically. When alpha is much greater than one, there will be a linear relationship between impurity concentration and growth rates. Kubota and Mullin expect alpha to decrease with increasing supersaturation and shrinking size of a two dimensional nucleus. It is expected that impurity effects on protein crystal growth will exhibit behavior similar to that of impurities in small molecule growth. A number of proteins were added to purified chicken egg white lysozyme, the effect on crystal nucleation and growth assessed.

Dendrimer-magnetic nanostructure: a Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Jabar, A.; Masrour, R.

2017-11-01

In this paper, the magnetic properties of ternary mixed spins (σ,S,q) Ising model on a dendrimer nanostructure are studied using Monte Carlo simulations. The ground state phase diagrams of dendrimer nanostructure with ternary mixed spins σ = 1/2, S = 1 and q = 3/2 Ising model are found. The variation of the thermal total and partial magnetizations with the different exchange interactions, the external magnetic fields and the crystal fields have been also studied. The reduced critical temperatures have been deduced. The magnetic hysteresis cycles have been discussed. In particular, the corresponding magnetic coercive filed values have been deduced. The multiples hysteresis cycles are found. The dendrimer nanostructure has several applications in the medicine.

Dynamic magnetic hysteresis properties of two-dimensional ferrimagnetic structures containing high-spin (S = 5/2) and low-spin (S = 1/2)

NASA Astrophysics Data System (ADS)

Batı, Mehmet; Ertaş, Mehmet

2017-09-01

The dynamic hysteresis behaviors of a containing high spin-5/2 and low spin-1/2 Ising ferrimagnetic system on a square lattice are studied by using the dynamic mean-field approximation. The influences of the temperature, the single-ion anisotropy and the frequency on dynamic hysteresis behaviors are investigated in detail. Somewhat characteristic behaviors are found, such as the presence of triple hysteresis loop for appropriate values of the crystal field or temperature. Besides, we observed that, hysteresis loop area and phase transition points are very sensitive to changes in frequency and thus have profound importance in device application.

Liquid-Crystal-Enabled Active Plasmonics: A Review

PubMed Central

Si, Guangyuan; Zhao, Yanhui; Leong, Eunice Sok Ping; Liu, Yan Jun

2014-01-01

Liquid crystals are a promising candidate for development of active plasmonics due to their large birefringence, low driving threshold, and versatile driving methods. We review recent progress on the interdisciplinary research field of liquid crystal based plasmonics. The research scope of this field is to build the next generation of reconfigurable plasmonic devices by combining liquid crystals with plasmonic nanostructures. Various active plasmonic devices, such as switches, modulators, color filters, absorbers, have been demonstrated. This review is structured to cover active plasmonic devices from two aspects: functionalities and driven methods. We hope this review would provide basic knowledge for a new researcher to get familiar with the field, and serve as a reference for experienced researchers to keep up the current research trends. PMID:28788515

Using Magnetic Field Gradients to Simulate Variable Gravity in Fluids and Materials Experiments

NASA Technical Reports Server (NTRS)

Ramachandran, Narayanan

2006-01-01

Fluid flow due to a gravitational field is caused by sedimentation, thermal buoyancy, or solutal buoyancy induced convection. During crystal growth, for example, these flows are undesirable and can lead to crystal imperfections. While crystallization in microgravity can approach diffusion limited growth conditions (no convection), terrestrially strong magnetic fields can be used to control fluid flow and sedimentation effects. In this work, a theory is presented on the stability of solutal convection of a magnetized fluid(weak1y paramagnetic) in the presence of a magnetic field. The requirements for stability are developed and compared to experiments performed within the bore of a superconducting magnet. The theoretical predictions are in good agreement with the experiments. Extension of the technique can also be applied to study artificial gravity requirements for long duration exploration missions. Discussion of this application with preliminary experiments and application of the technique to crystal growth will be provided.

In-plane magnetic anisotropy in strontium iridate S r2Ir O4

NASA Astrophysics Data System (ADS)

Nauman, Muhammad; Hong, Yunjeong; Hussain, Tayyaba; Seo, M. S.; Park, S. Y.; Lee, N.; Choi, Y. J.; Kang, Woun; Jo, Younjung

2017-10-01

Magnetic anisotropy in strontium iridate (S r2Ir O4 ) is found to be large because of the strong spin-orbit interactions. In our work, we studied the in-plane magnetic anisotropy of S r2Ir O4 and traced the anisotropic exchange interactions between the isospins in the crystal. The magnetic-field-dependent torque τ(H ) showed a prominent transition from the canted antiferromagnetic state to the weak ferromagnetic (WFM) state. A comprehensive analysis was conducted to examine the isotropic and anisotropic regimes and probe the easy magnetization axis along the a b plane. The angle-dependent torque τ(θ) revealed a deviation from the sinusoidal behavior, and small differences in hysteresis were observed around 0° and 90° in the low-magnetic-field regime. This indicates that the orientation of the easy axis of the FM component is along the b axis, where the antiferromagnetic to WFM spin-flop transition occurs. We compared the coefficients of the magnetic susceptibility tensors and captured the anisotropy of the material. The in-plane τ(θ) revealed a tendency toward isotropic behavior for fields with values above the field value of the WFM transition.

The effect of surface conditions on the work function of insulators and semiconductors

NASA Technical Reports Server (NTRS)

George, A.

1973-01-01

Ionization energies of organic semiconductors were determined using single crystals of the material. The theory of the method is essentially that of Millikan's oil drop experiment. The technique employed in the experiment is based on the electrostatic method of balancing a charged particle in an electric field against the force of gravity for different excitation energies above the threshold value, and from an estimate of the balancing voltages, read off the ionization energy from the intercept of the energy axis in a plot wavelength corresponding to the balancing potential for the incident radiation of wavelength. In the modified technique which is adopted in the present experimental investigation, a small single crystal is suspended by a fine quartz fiber between two vertical capacitor plates to which a suitable high voltage is applied.

Temperature sensibility of the birefringence properties in side-hole photonic crystal fiber filled with Indium

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

Reyes-Vera, Erick, E-mail: erickreyes@itm.edu.co; Gómez-Cardona, Nelson D.; Facultad de Ingeniería, Instituto Tecnológico Metropolitano, A.A. 54954 Medellín

2014-11-17

We report on the temperature sensitivity of the birefringence properties of a special kind of photonic crystal fiber containing two side holes filled with Indium metal. The modulation of the fiber birefringence is accomplished through the stress field induced by the expansion of the metal. Although the fiber was made at low gas pressures during the indium infiltration process, the birefringence showed anomalous property at a relatively low temperature value, which is completely different from those reported in conventional-like fibers with two holes filled with metal. By modeling the anisotropic changes induced by the metal expansion to the refractive indexmore » within the fiber, we are able to reproduce the experimental results. Our results have practical relevance for the design of devices based on this technology.« less

Analysis of local symmetry and impurity location of Cu2+ ions doped C8H11KO8 single crystal through EPR technique for site I

NASA Astrophysics Data System (ADS)

Sheela, K. Juliet; Subbulakshmi, N.; Subramanian, P.

2018-04-01

Electron paramagnetic resonance (EPR) studies have been investigated on Cu2+ ion incorporated into the single crystals of potassium succinate-succinic acid (KSSA) at room temperature. Two magnetically in-equivalent Cu2+ sites in the lattice are identified, among them site I has been reported. The spin Hamiltonian parameters are determined with the fitting of spectra to rhombic symmetry crystalline field. The co-ordination of the Cu2+ ion in this molecule is a distorted dodecahedron. From the calculated gxx, gyy, gzz and Axx, Ayy, Azz and their directional cosines values, location of site I impurity ion Cu2+ could be identified as a substituitional one. Also the ground state wave function of the impurity ion was found to be d2z.

Ultralow mode-volume photonic crystal nanobeam cavities for high-efficiency coupling to individual carbon nanotube emitters

PubMed Central

Miura, R.; Imamura, S.; Ohta, R.; Ishii, A.; Liu, X.; Shimada, T.; Iwamoto, S.; Arakawa, Y.; Kato, Y. K.

2014-01-01

The unique emission properties of single-walled carbon nanotubes are attractive for achieving increased functionality in integrated photonics. In addition to being room-temperature telecom-band emitters that can be directly grown on silicon, they are ideal for coupling to nanoscale photonic structures. Here we report on high-efficiency coupling of individual air-suspended carbon nanotubes to silicon photonic crystal nanobeam cavities. Photoluminescence images of dielectric- and air-mode cavities reflect their distinctly different mode profiles and show that fields in the air are important for coupling. We find that the air-mode cavities couple more efficiently, and estimated spontaneous emission coupling factors reach a value as high as 0.85. Our results demonstrate advantages of ultralow mode-volumes in air-mode cavities for coupling to low-dimensional nanoscale emitters. PMID:25420679

A novel assay for detecting canine parvovirus using a quartz crystal microbalance biosensor.

PubMed

Kim, Yong Kwan; Lim, Seong-In; Choi, Sarah; Cho, In-Soo; Park, Eun-Hye; An, Dong-Jun

2015-07-01

Rapid and accurate diagnosis is crucial to reduce both the shedding and clinical signs of canine parvovirus (CPV). The quartz crystal microbalance (QCM) is a new tool for measuring frequency changes associated with antigen-antibody interactions. In this study, the QCM biosensor and ProLinker™ B were used to rapidly diagnosis CPV infection. ProLinker™ B enables antibodies to be attached to a gold-coated quartz surface in a regular pattern and in the correct orientation for antigen binding. Receiver operating characteristics (ROC) curves were used to set a cut-off value using reference CPVs (two groups: one CPV-positive and one CPV-negative). The ROC curves overlapped and the point of intersection was used as the cut-off value. A QCM biosensor with a cut-off value of -205 Hz showed 95.4% (104/109) sensitivity and 98.0% (149/152) specificity when used to test 261 field fecal samples compared to PCR. In conclusion, the QCM biosensor described herein is eminently suitable for the rapid diagnosis of CPV infection with high sensitivity and specificity. Therefore, it is a promising analytical tool that will be useful for clinical diagnosis, which requires rapid and reliable analyses. Copyright © 2015 Elsevier B.V. All rights reserved.

Organic field-effect transistors using single crystals.

PubMed

Hasegawa, Tatsuo; Takeya, Jun

2009-04-01

Organic field-effect transistors using small-molecule organic single crystals are developed to investigate fundamental aspects of organic thin-film transistors that have been widely studied for possible future markets for 'plastic electronics'. In reviewing the physics and chemistry of single-crystal organic field-effect transistors (SC-OFETs), the nature of intrinsic charge dynamics is elucidated for the carriers induced at the single crystal surfaces of molecular semiconductors. Materials for SC-OFETs are first reviewed with descriptions of the fabrication methods and the field-effect characteristics. In particular, a benchmark carrier mobility of 20-40 cm 2 Vs -1 , achieved with thin platelets of rubrene single crystals, demonstrates the significance of the SC-OFETs and clarifies material limitations for organic devices. In the latter part of this review, we discuss the physics of microscopic charge transport by using SC-OFETs at metal/semiconductor contacts and along semiconductor/insulator interfaces. Most importantly, Hall effect and electron spin resonance (ESR) measurements reveal that interface charge transport in molecular semiconductors is properly described in terms of band transport and localization by charge traps.

Organic field-effect transistors using single crystals

PubMed Central

Hasegawa, Tatsuo; Takeya, Jun

2009-01-01

Organic field-effect transistors using small-molecule organic single crystals are developed to investigate fundamental aspects of organic thin-film transistors that have been widely studied for possible future markets for ‘plastic electronics’. In reviewing the physics and chemistry of single-crystal organic field-effect transistors (SC-OFETs), the nature of intrinsic charge dynamics is elucidated for the carriers induced at the single crystal surfaces of molecular semiconductors. Materials for SC-OFETs are first reviewed with descriptions of the fabrication methods and the field-effect characteristics. In particular, a benchmark carrier mobility of 20–40 cm2 Vs−1, achieved with thin platelets of rubrene single crystals, demonstrates the significance of the SC-OFETs and clarifies material limitations for organic devices. In the latter part of this review, we discuss the physics of microscopic charge transport by using SC-OFETs at metal/semiconductor contacts and along semiconductor/insulator interfaces. Most importantly, Hall effect and electron spin resonance (ESR) measurements reveal that interface charge transport in molecular semiconductors is properly described in terms of band transport and localization by charge traps. PMID:27877287

The YBa2Cu3O7- anomalous second peak and irreversible magnetic field in the magnetization hysteresis cycles

NASA Astrophysics Data System (ADS)

Taoufik, A.; Ramzi, A.; Senoussi, S.; Labrag, A.

2004-05-01

The flux jumps, the second peak and the irreversible magnetic field in the magnetization hysteresis cycles have been investigated in the high temperature superconductor YBa2Cu3O7- single crystals. These cycles were obtained for different temperature values, the applied magnetic fields up to 6 T and the angle between the applied magnetic field and c-axis. The magnetization curves exhibit a remarkable second peak fishtail, this second peak was not observed for the low temperature, but we observed the flux jumps saw tooth. The temperature dependence of the irreversible magnetic field, Hirr, for the applied magnetic field perpendicular to the ab planes is given by an extended expression, Hirr α (1-T/Tc )α, where α is a constant, the Abrikosov flux dynamics can explain this behavior. The Hirr as a function of has been strongly influenced by the flux pinning and the thermally assisted flux motion.

H, O, Sr, Nd, and Pb isotope geochemistry of the Latir volcanic field and cogenetic intrusions, New Mexico, and relations between evolution of a continental magmatic center and modifications of the lithosphere

USGS Publications Warehouse

Johnson, C.M.; Lipman, P.W.; Czamanske, G.K.

1990-01-01

Over 200 H, O, Sr, Nd, and Pb isotope analyses, in addition to geologic and petrologic constraints, document the magmatic evolution of the 28.5-19 Ma Latir volcanic field and associated intrusive rocks, which includes multiple stages of crustal assimilation, magma mixing, protracted crystallization, and open- and closed-system evolution in the upper crust. In contrast to data from younger volcanic centers in northern New Mexico, relatively low and restricted primary ??18O values (+6.4 to +7.4) rule out assimilation of supracrustal rocks enriched in 18O. Initial 87Sr/86Sr ratios (0.705 to 0.708), ??18O values (-2 to-7), and 206Pb/204Pb ratios (17.5 to 18.4) of metaluminous precaldera volcanic rocks and postcaldera plutonic rocks suggest that most Latir rocks were generated by fractional crystallization of substantial volumes of mantle-derived basaltic magma that had near-chondritic Nd isotope ratios, accompanied by assimilation of crustal material in two main stages: 1) assimilation of non-radiogenic lower crust, followed by 2) assimilation of middle and upper crust by inter-mediate-composition magmas that had been contaminated during the first stage. Magmatic evolution in the upper crust peaked with eruption of the peralkaline Amalia Tuff (???26 Ma), which evolved from metaluminous parental magmas. A third stage of late, roofward assimilation of Proterozoic rocks in the Amalia Tuff magma is indicated by trends in initial 87Sr/86Sr and 206Pb/204Pb ratios from 0.7057 to 0.7098 and 19.5 to 18.8, respectively, toward the top of the pre-eruptive magma chamber. Highly evolved postcaldera plutons are generally fine grained and are zoned in initial 87Sr/86Sr and 206Pb/204Pb ratios, varying from 0.705 to 0.709 and 17.8 to 18.6, respectively. In contrast, the coarser-grained Cabresto Lake (???25 Ma) and Rio Hondo (???21 Ma) plutons have relatively homogeneous initial 87Sr/86Sr and 206Pb/204Pb ratios of approximately 0.7053 and 17.94 and 17.55, respectively. ??18O values for all the postcaldera plutons overlap those of the precaldera rocks and Amalia Tuff, except for those for two late-stage rhyolite dikes associated with the Rio Hondo pluton that have ??18O values of-8.6 and-9.5; these dikes are the only Latir rocks which may be largely crustal melts. Chemical and isotopic data from the Latir field suggest that large fluxes of mantle-derived basaltic magma are necessary for developing and sustaining large-volume volcanic centers. Development of a detailed model suggests that 6-15 km of new crust may have been added beneath the volcanic center; such an addition may result in significant changes in the chemical and Sr and Nd isotopic compositions of the crust, although Pb isotope ratios will remain relatively unchanged. If accompanied by assimilation, crystallization of pooled basaltic magma near the MOHO may produce substantial cumulates beneath the MOHO that generate large changes in the isotopic composition of the upper mantle. The Latir field may be similar to other large-volume, long-lived intracratonal volcanic fields that fundamentally owe their origins to extensive injection of basaltic magma into the lower parts of their magmatic systems. Such fields may overlie areas of significant crustal growth and hybridization. ?? 1990 Springer-Verlag.

Crystallization screening: the influence of history on current practice.

PubMed

Luft, Joseph R; Newman, Janet; Snell, Edward H

2014-07-01

While crystallization historically predates crystallography, it is a critical step for the crystallographic process. The rich history of crystallization and how that history influences current practices is described. The tremendous impact of crystallization screens on the field is discussed.

Synthesis and Photoluminescence Characteristics of Eu(3+)-Doped Molybdates Nanocrystals.

PubMed

Li, Fuhai; Yu, Lixin; Wei, Shuilin; Sun, Jiaju; Chen, Weiqing; Sun, Wei

2015-12-01

In this paper, the Eu(3+)-doped molybdate (CaMoO4, ZnMoO4 and BaMoO4) phosphors have been prepared by a hydrothermal method through modulating the pH value of the precursor solution (pH = 8, 10, and 12, respectively). The crystalline phase, morphology, photoluminescent properties of the prepared samples were systematically characterized by means of X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM) and photoluminescence (PL) spectra. The results indicate that the photoluminescence and morphology can be affected by the precursor solution. And the growth of the ZnMoO4 crystals also can be affected by the pH value of the precursor solution.

Polarization-resolved second-harmonic generation microscopy as a method to visualize protein-crystal domains

PubMed Central

DeWalt, Emma L.; Begue, Victoria J.; Ronau, Judith A.; Sullivan, Shane Z.; Das, Chittaranjan; Simpson, Garth J.

2013-01-01

Polarization-resolved second-harmonic generation (PR-SHG) microscopy is described and applied to identify the presence of multiple crystallographic domains within protein-crystal conglomerates, which was confirmed by synchrotron X-ray diffraction. Principal component analysis (PCA) of PR-SHG images resulted in principal component 2 (PC2) images with areas of contrasting negative and positive values for conglomerated crystals and PC2 images exhibiting uniformly positive or uniformly negative values for single crystals. Qualitative assessment of PC2 images allowed the identification of domains of different internal ordering within protein-crystal samples as well as differentiation between multi-domain conglomerated crystals and single crystals. PR-SHG assessments of crystalline domains were in good agreement with spatially resolved synchrotron X-ray diffraction measurements. These results have implications for improving the productive throughput of protein structure determination through early identification of multi-domain crystals. PMID:23275165

Magnetic field controlled single crystal growth and surface modification of titanium alloys exposed for biocompatibility

NASA Astrophysics Data System (ADS)

Hermann, Regina; Uhlemann, Margitta; Wendrock, Horst; Gerbeth, Gunter; Büchner, Bernd

2011-03-01

The aim of this work is growth and characterisation of Ti55Nb45 (wt%) single crystals by floating-zone single crystal growth of intermetallic compounds using two-phase radio-frequency (RF) electromagnetic heating. Thereby, the process and, in particular, the flow field in the molten zone is influenced by additional magnetic fields. The growth of massive intermetallic single crystals is very often unsuccessful due to an unfavourable solid-liquid interface geometry enclosing concave fringes. It is generally known that the crystallization process stability is enhanced if the crystallization interface is convex. For this, a tailored magnetic two-phase stirrer system has been developed, which enables a controlled influence on the melt ranging from intensive inwards to outwards flows. Since Ti is favourably light, strong and biocompatible, it is one of the few materials that naturally match the requirements for implantation in the human body. Therefore, the magnetic system was applied to crystal growth of Ti alloys. The grown crystals were oriented and cut to cubes with the desired crystallographic orientations [1 0 0] and [1 0 1] normally on a plane. The electron backscatter diffraction (EBSD) technique was applied to clearly determine crystal orientation and to localize grain boundaries. The formation of oxidic nanotubes on Ti surfaces in dependence of the grain orientation was investigated, performed electrochemically by anodic oxidation from fluoride containing electrolyte.

Geodynamo, solar wind, and magnetopause 3.4 to 3.45 billion years ago.

PubMed

Tarduno, John A; Cottrell, Rory D; Watkeys, Michael K; Hofmann, Axel; Doubrovine, Pavel V; Mamajek, Eric E; Liu, Dunji; Sibeck, David G; Neukirch, Levi P; Usui, Yoichi

2010-03-05

Stellar wind standoff by a planetary magnetic field prevents atmospheric erosion and water loss. Although the early Earth retained its water and atmosphere, and thus evolved as a habitable planet, little is known about Earth's magnetic field strength during that time. We report paleointensity results from single silicate crystals bearing magnetic inclusions that record a geodynamo 3.4 to 3.45 billion years ago. The measured field strength is approximately 50 to 70% that of the present-day field. When combined with a greater Paleoarchean solar wind pressure, the paleofield strength data suggest steady-state magnetopause standoff distances of < or = 5 Earth radii, similar to values observed during recent coronal mass ejection events. The data also suggest lower-latitude aurora and increases in polar cap area, as well as heating, expansion, and volatile loss from the exosphere that would have affected long-term atmospheric composition.

Magnetocaloric effect in textured rare earth intermetallic compound ErNi

NASA Astrophysics Data System (ADS)

Sankar, Aparna; Chelvane, J. Arout; Morozkin, A. V.; Nigam, A. K.; Quezado, S.; Malik, S. K.; Nirmala, R.

2018-05-01

Melt-spun ErNi crystallizes in orthorhombic FeB-type structure (Space group Pnma, no. 62) similar to the arc-melted ErNi compound. Room temperature X-ray diffraction (XRD) experiments reveal the presence of texture and preferred crystal orientation in the melt-spun ErNi. The XRD data obtained from the free surface of the melt-spun ErNi show large intensity enhancement for (1 0 2) Bragg reflection. The scanning electron microscopy image of the free surface depicts a granular microstructure with grains of ˜1 μm size. The arc-melted and the melt-spun ErNi compounds order ferromagnetically at 11 K and 10 K (TC) respectively. Field dependent magnetization (M-H) at 2 K shows saturation behaviour and the saturation magnetization value is 7.2 μB/f.u. for the arc-melted ErNi and 7.4 μB/f.u. for the melt-spun ErNi. The isothermal magnetic entropy change (ΔSm) close to TC has been calculated from the M-H data. The maximum isothermal magnetic entropy change, -ΔSmmax, is ˜27 Jkg-1K-1 and ˜24 Jkg-1K-1 for the arc-melted and melt-spun ErNi for 50 kOe field change, near TC. The corresponding relative cooling power values are ˜440 J/kg and ˜432 J/kg respectively. Although a part of ΔSm is lost to crystalline electric field (CEF) effects, the magnetocaloric effect is substantially large at 10 K, thus rendering melt-spun ErNi to be useful in low temperature magnetic refrigeration applications such as helium gas liquefaction.

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

James, S St.; Argento, D; Stewart, R

Purpose: The University of Washington Medical Center offers neutron therapy for the palliative and definitive treatment of selected cancers. In vivo field verification has the potential to improve the safe and effective delivery of neutron therapy. We propose a portal imaging method that relies on the creation of positron emitting isotopes (11C and 15O) through (n, 2n) reactions with a PMMA plate placed below the patient. After field delivery, the plate is retrieved from the vault and imaged using a reader that detects annihilation photons. The spatial pattern of activity produced in the PMMA plate provides information to reconstruct themore » neutron fluence map needed to confirm treatment delivery. Methods: We used MCNP to simulate the accumulation of 11C activity in a slab of PMMA 2 mm thick, and GATE was used to simulate the sensitivity and spatial resolution of a prototype imaging system. BGO crystal thicknesses of 1 cm, 2 cm and 3 cm were simulated with detector separations of 2 cm. Crystal pitches of 2 mm and 4 mm were evaluated. Back-projection of the events was used to create a planar image. The spatial resolution was taken to be the FWHM of the reconstructed point source image. Results: The system sensitivity for a point source in the center of the field of view was found to range from 58% for 1 cm thick BGO with 2 mm crystal pitch to 74% for the 3 cm thick BGO crystals with 4 mm crystal pitch. The spatial resolution at the center of the field of view was found to be 1.5 mm for the system with 2 mm crystal pitch and 2.8 mm for the system with the 4 mm crystal pitch. Conclusion: BGO crystals with 4 mm crystal pitch and 3 cm length would offer the best sensitivity reader.« less

Magnetically-assembled micro/mesopixels exhibiting light intensity enhancement in the (012) planes of fish guanine crystals

NASA Astrophysics Data System (ADS)

Chikashige, T.; Iwasaka, M.

2018-05-01

In this study, a new method was investigated to form light-reflecting dots at the micrometer scale using the magnetic orientations of biogenic guanine crystals obtained from fish skin and scales. The crystal platelets, possessing average dimensions of 5 μm×20 μm×100 nm, were dispersed in water and observed during exposure to vertical magnetic fields up to 5 T. The magnetic field direction was parallel to Earth's gravity, and allowed the narrowest edges of the crystals to be observed at the micrometer scale for the first time. The magnetic orientation process was initiated under conditions where the crystal platelets in water were laid on a glass substrate or where the platelets had random orientations. In the former case, the crystal platelets followed a two-stage magnetic orientation process where, in the first step, the platelet widths were aligned in the magnetic field direction. The second step required rotation of the ˜20-μm-long plates with respect to the Earth's gravity, where application of a 5 T magnetic field enabled their orientation. Real-time images of the magnetically aligning platelets provided new evidence that the crystal platelets also emitted reflected light from a very narrow window at two crystal planes (i.e., (0 1 ¯ 2 ¯ ) and (0 1 ¯ 2 )). In the latter case with random platelet orientation, spatially-condensed light-reflecting dots appeared while the guanine crystal platelets were floating and maintaining their orientation. The technique developed for controlling light-reflecting microscale objects in an aqueous medium can be applied to produce a type of microfluidic optical tool.

Tuning the functional properties of PMN-PT single crystals via doping and thermoelectrical treatments

NASA Astrophysics Data System (ADS)

Luo, Laihui; Dietze, Matthias; Solterbeck, Claus-Henning; Luo, Haosu; Es-Souni, Mohammed

2013-12-01

Single crystals based on solid solutions of lead-magnesium-niobate (PMN) and lead titanate (PT) have emerged as highly promising multifunctional systems combining piezoelectric, pyroelectric, and electro-optic properties that surpass by far those of the best known lead-zirkonium-titanate ceramics. In this paper we present new findings on how the phase transition temperature and the dielectric and ferroelectric properties can be tuned depending on crystal composition, orientation, and thermoelectrical treatment. Mn-doped and pure 0.72PbMg1/3Nb2/3O3-0.28PbTiO3 (0.72PMN-0.28PT) single crystals with ⟨111⟩ and ⟨001⟩ orientations were investigated. A special attention was devoted to field cooling (FC), i.e., cooling under electric field from different temperatures. The results illustrate different findings that were not reported before: the Curie temperature, i.e., ferroelectric-paraelectric transition temperature, is enhanced after field cooling of the Mn-doped, ⟨001⟩-oriented crystal while such a shift is not observed in the ⟨111⟩-oriented and the non-doped crystals. In addition, substantial polarization suppression occurs in the Mn-doped crystals upon FC from high temperature regardless of orientation. Based on piezoforce microscopy of the domain structure that shows suppression of domain growth following field cooling from 200 °C, we propose a mechanism for polarization suppression based on domain pinning by charged defects. The practical importance of our results lies in showing the opportunity offered by a proper choice of crystal composition and poling conditions for tuning the functional properties of PMN-PT single crystals for a specific application. This should contribute to the understanding of their properties towards advanced sensor and transducers devices.

Reentrant behaviors in the phase diagram of spin-1 planar ferromagnet with single-ion anisotropy

NASA Astrophysics Data System (ADS)

Rabuffo, I.; De Cesare, L.; Caramico D'Auria, A.; Mercaldo, M. T.

2018-05-01

We used the two-time Green function framework to investigate the role played by the easy-axis single-ion anisotropy on the phase diagram of (d > 2)-dimensional spin-1planar ferromagnets, which exhibit a magnetic field induced quantum phase transition. We tackled the problem using two different kind of approximations: the Anderson-Callen decoupling scheme and the Devlin approach. In the latter scheme, the exchange anisotropy terms in the equations of motion are treated at the Tyablikov decoupling level while the crystal field anisotropy contribution is handled exactly. The emerging key result is a reentrant structure of the phase diagram close to the quantum critical point, for certain values of the single-ion anisotropy parameter. We compare the results obtained within the two approximation schemes. In particular, we recover the same qualitative behavior. We show the phase diagram, close to the field-induced quantum critical point and the behavior of the susceptibility for different values of the single-ion anisotropy parameter, enhancing the differences between the two different scenarios (i.e. with and without reentrant behavior).

Magnetostriction of Hexagonal HoMnO3 and YMnO3 Single Crystals

NASA Astrophysics Data System (ADS)

Pavlovskii, N. S.; Dubrovskii, A. A.; Nikitin, S. E.; Semenov, S. V.; Terent'ev, K. Yu.; Shaikhutdinov, K. A.

2018-03-01

We report on the magnetostriction of hexagonal HoMnO3 and YMnO3 single crystals in a wide range of applied magnetic fields (up to H = 14 T) at all possible combinations of the mutual orientations of magnetic field H and magnetostriction Δ L/L. The measured Δ L/L( H, T) data agree well with the magnetic phase diagram of the HoMnO3 single crystal reported previously by other authors. It is shown that the nonmonotonic behavior of magnetostriction of the HoMnO3 crystal is caused by the Ho3+ ion; the magnetic moment of the Mn3+ ion parallel to the hexagonal crystal axis. The anomalies established from the magnetostriction measurements of HoMnO3 are consistent with the phase diagram of these compounds. For the isostructural YMnO3 single crystal with a nonmagnetic rare-earth ion, the Δ L/L( H, T) dependences are described well by a conventional quadratic law in a wide temperature range (4-100 K). In addition, the magnetostriction effect is qualitatively estimated with regard to the effect of the crystal electric field on the holmium ion.

High purith low defect FZ silicon

NASA Technical Reports Server (NTRS)

Kimura, H.; Robertson, G.

1985-01-01

The most common intrinsic defects in dislocation-free float zone (FZ) silicon crystals are the A- and B-type swirl defects. The mechanisms of their formation and annihilation have been extensively studied. Another type of defect in dislocation-free FZ crystals is referred to as a D-type defect. Concentrations of these defects can be minimized by optimizing the growth conditions, and the residual swirls can be reduced by the post-growth extrinsic gettering process. Czochralski (Cz) silicon wafers are known to exhibit higher resistance to slip and warpage due to thermal stress than do FZ wafers. The Cz crystals containing dislocations are more resistant to dislocation movement than dislocated FZ crystals because of the locking of dislocations by oxygen atoms present in the Cz crystals. Recently a transverse magnetic field was applied during the FZ growth of extrinsic silicon. Resultant flow patterns, as revealed by striation etching and spreading resistance in Ga-doped silicon crystals, indicate strong effects of the transverse magnetic field on the circulation within the melt. At fields of 5500 gauss, the fluid flow in the melt volume is so altered as to affect the morphology of the growing crystal.

Eliminating Crystals in Non-Oxide Optical Fiber Preforms and Optical Fibers

NASA Technical Reports Server (NTRS)

Tucker, Dennis S.; LaPointe, Michael R.

2012-01-01

Non ]oxide fiber optics such as heavy metal fluoride and chalcogenide glasses are extensively used in infrared transmitting applications such as communication systems, chemical sensors, and laser fiber guides for cutting, welding and medical surgery. The addition of rare earths such as erbium, enable these materials to be used as fiber laser and amplifiers. Some of these glasses however are very susceptible to crystallization. Even small crystals can lead to light scatter and a high attenuation coefficient, limiting their usefulness. Previously two research teams found that microgravity suppressed crystallization in heavy metal fluoride glasses. Looking for a less expensive method to suppress crystallization, ground based research was performed utilizing an axial magnetic field. The experiments revealed identical results to those obtained via microgravity processing. This research then led to a patented process for eliminating crystals in optical fiber preforms and the resulting optical fibers. In this paper, the microgravity results will be reviewed as well as patents and papers relating to the use of magnetic fields in various material and glass processing applications. Finally our patent to eliminate crystals in non ]oxide glasses utilizing a magnetic field will be detailed.

Atomistic simulation of solid-liquid coexistence for molecular systems: application to triazole and benzene.

PubMed

Eike, David M; Maginn, Edward J

2006-04-28

A method recently developed to rigorously determine solid-liquid equilibrium using a free-energy-based analysis has been extended to analyze multiatom molecular systems. This method is based on using a pseudosupercritical transformation path to reversibly transform between solid and liquid phases. Integration along this path yields the free energy difference at a single state point, which can then be used to determine the free energy difference as a function of temperature and therefore locate the coexistence temperature at a fixed pressure. The primary extension reported here is the introduction of an external potential field capable of inducing center of mass order along with secondary orientational order for molecules. The method is used to calculate the melting point of 1-H-1,2,4-triazole and benzene. Despite the fact that the triazole model gives accurate bulk densities for the liquid and crystal phases, it is found to do a poor job of reproducing the experimental crystal structure and heat of fusion. Consequently, it yields a melting point that is 100 K lower than the experimental value. On the other hand, the benzene model has been parametrized extensively to match a wide range of properties and yields a melting point that is only 20 K lower than the experimental value. Previous work in which a simple "direct heating" method was used actually found that the melting point of the benzene model was 50 K higher than the experimental value. This demonstrates the importance of using proper free energy methods to compute phase behavior. It also shows that the melting point is a very sensitive measure of force field quality that should be considered in parametrization efforts. The method described here provides a relatively simple approach for computing melting points of molecular systems.

Optimization of Pockels electric field in transverse modulated optical voltage sensor

NASA Astrophysics Data System (ADS)

Huang, Yifan; Xu, Qifeng; Chen, Kun-Long; Zhou, Jie

2018-05-01

This paper investigates the possibilities of optimizing the Pockels electric field in a transverse modulated optical voltage sensor with a spherical electrode structure. The simulations show that due to the edge effect and the electric field concentrations and distortions, the electric field distributions in the crystal are non-uniform. In this case, a tiny variation in the light path leads to an integral error of more than 0.5%. Moreover, a 2D model cannot effectively represent the edge effect, so a 3D model is employed to optimize the electric field distributions. Furthermore, a new method to attach a quartz crystal to the electro-optic crystal along the electric field direction is proposed to improve the non-uniformity of the electric field. The integral error is reduced therefore from 0.5% to 0.015% and less. The proposed method is simple, practical and effective, and it has been validated by numerical simulations and experimental tests.

Magnetism of californium metal

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

Nave, S.E.; Moore, J.R.; Spaar, M.T.

1984-01-01

Magnetic susceptibility measurements have been made on samples of californium-249 metal having the dhcp crystal structure. At temperatures between 100K and 300K and at fields up to 50 kilogauss, the samples exhibit Curie-Weiss behavior with 3 samples giving a magnetic moment per atom of ..mu../sub eff/ = 10.6 +- 0.2 ..mu../sub B/ and paramagnetic Weiss temperatures, theta/sub p/, in the range of -2K to -41K. These values of ..mu../sub eff/ are in good agreement with the value expected (10.62..mu../sub B/) for a free-ion 5f/sup 9/ configuration based on an L-S coupling scheme and Hund's Rule. A fourth sample gives themore » values ..mu../sub eff/ = 9.7 +- 0.2..mu../sub B/ and theta/sub p/ = -41K. At low temperatures the samples exhibit an ordered magnetic transition to a state with a saturated moment of 6.1 ..mu../sub B//atom when extrapolated to infinitely-high field. The low temperature ordered phase exists at temperatures below T/sub c/ = 51 +- 2K as determined from constant magnetization plots. 2 references, 3 figures.« less

Bond energy prediction of Curie temperature of lithium niobate crystals.

PubMed

Zhang, Xu; Xue, Dongfeng

2007-03-15

A general expression of the Curie temperature (Tc) and spontaneous polarization (Ps) of lithium niobate (LN) crystals is energetically proposed by employing the viewpoint of the bond energy of constituent chemical bonds within the LN crystallographic frame. The calculated Tc values of various pure and doped LN crystals are in a good agreement with those reported data. Ps values of these LN crystals can also be quantitatively estimated in this work. It is found that the Li site is a sensitive lattice position to dominate the ferroelectricity of LN crystals. This novel method provides us a good understanding of ferroelectric behaviors of LN crystals, which may be applicable to the estimation of ferroelectric behaviors of LN-type solids.

Crystallization of Calcium Carbonate in a Large Scale Field Study

NASA Astrophysics Data System (ADS)

Ueckert, Martina; Wismeth, Carina; Baumann, Thomas

2017-04-01

The long term efficiency of geothermal facilities and aquifer thermal energy storage in the carbonaceous Malm aquifer in the Bavarian Molasse Basin is seriously affected by precipitations of carbonates. This is mainly caused by pressure and temperature changes leading to oversaturation during production. Crystallization starts with polymorphic nuclei of calcium carbonate and is often described as diffusion-reaction controlled. Here, calcite crystallization is favoured by high concentration gradients while aragonite crystallization is occurring at high reaction rates. The factors affecting the crystallization processes have been described for simplified, well controlled laboratory experiments, the knowledge about the behaviour in more complex natural systems is still limited. The crystallization process of the polymorphic forms of calcium carbonate were investigated during a heat storage test at our test site in the eastern part of the Bavarian Molasse Basin. Complementary laboratory experiments in an autoclave were run. Both, field and laboratory experiments were conducted with carbonaceous tap water. Within the laboratory experiments additionally ultra pure water was used. To avoid precipitations of the tap water, a calculated amount of {CO_2} was added prior to heating the water from 45 - 110°C (laboratory) resp. 65 - 110°C (field). A total water volume of 0.5 L (laboratory) resp. 1 L (field) was immediately sampled and filtrated through 10 - 0.1

High field induced magnetic transitions in the Y0.7E r0.3F e2D4.2 deuteride

NASA Astrophysics Data System (ADS)

Paul-Boncour, V.; Guillot, M.; Isnard, O.; Hoser, A.

2017-09-01

The influence of the partial Er for Y substitution on the crystal structure and magnetic properties of YF e2D4.2 has been investigated by high field magnetization and neutron diffraction experiments. Y0.7E r0.3F e2D4.2 compound crystallizes in the same monoclinic structure as YF e2D4.2 described in P c (P1c1) space group with D atoms located in 18 different tetrahedral interstitial sites. A cell volume contraction of 0.6% is observed upon Er substitution, inducing large modification of the magnetic properties. Electronic effect of D insertion as well as lowering of crystal symmetry are important factors determining the magnetic properties of Fe sublattice, which evolves towards more delocalized behavior and modifying the Er-Fe exchange interactions. In the ground state, the Er and Fe moments are arranged ferrimagnetically within the plane perpendicular to the monoclinic b axis and with average moments mEr=6.4 (3 ) μBEr-1 and mFe=2.0 (1 ) μBFe-1 at 10 K. Upon heating, mEr decreases progressively until TEr=55 K . Between 55 K and 75 K, the Fe sublattice undergoes a first-order ferromagnetic-antiferromagnetic (FM-AFM) transition with a cell volume contraction due to the itinerant metamagnetic behavior of one Fe site. In the AFM structure, mFe decreases until the Néel temperature TN=125 K . At high field, two different types of field induced transitions are observed. The Er moments become parallel to the Fe one and saturates to the E r3 + free ion value, leading to an unusual field induced FM arrangement at a transition field BTrans of only 78 kG below 30 K. Then above TM0=66 K , an AFM-FM transition of the Fe sublattice, accompanied by a cell volume increase is observed. BTrans increases linearly versus temperature and with a larger d BTrans/d T slope than for YF e2D4.2 . This has been explained by the additional contribution of Er induced moments above BTrans.

Multigap superconductivity and Shubnikov-de Haas oscillations in single crystals of the layered boride OsB2

NASA Astrophysics Data System (ADS)

Singh, Yogesh; Martin, C.; Bud'Ko, S. L.; Ellern, A.; Prozorov, R.; Johnston, D. C.

2010-10-01

Single crystals of superconducting OsB2 [Tc=2.10(5)K] have been grown using a Cu-B eutectic flux. We confirm that OsB2 crystallizes in the reported orthorhombic structure (space group Pmmn ) at room temperature. Both the normal and superconducting state properties of the crystals are studied using various techniques. Heat capacity versus temperature C(T) measurements yield the normal state electronic specific heat coefficient γ=1.95(1)mJ/molK2 and the Debye temperature ΘD=539(2)K . The measured frequencies of Shubnikov-de Haas oscillations are in good agreement with those predicted by band structure calculations. Magnetic susceptibility χ(T,H) , electrical resistivity ρ(T) , and C(T,H) measurements ( H is the magnetic field) demonstrate that OsB2 is a bulk low- κ [κ(Tc)=2(1)] type-II superconductor that is intermediate between the clean and dirty limits [(ξ(T=0)/ℓ=0.97)] with a small upper critical magnetic field Hc2(T=0)=186(4)Oe . The penetration depth is λ(T=0)=0.300μm . An anomalous (not single-gap BCS) T dependence of λ was fitted by a two-gap model with Δ1(T=0)/kBTc=1.9 and Δ2(T=0)/kBTc=1.25 , respectively. The discontinuity in the heat capacity at Tc , ΔC/γTc=1.32 , is smaller than the weak-coupling BCS value of 1.43, consistent with the two-gap nature of the superconductivity in OsB2 . An anomalous increase in ΔC at Tc of unknown origin is found in finite H ; e.g., ΔC/γTc≈2.5 for H≈25Oe .

Crystallization screening: the influence of history on current practice

PubMed Central

Luft, Joseph R.; Newman, Janet; Snell, Edward H.

2014-01-01

While crystallization historically predates crystallography, it is a critical step for the crystallographic process. The rich history of crystallization and how that history influences current practices is described. The tremendous impact of crystallization screens on the field is discussed. PMID:25005076

Crystal Growth of the S =1/2 Antiferromagnet K2PbCu(NO2)6 Elpasolite

NASA Astrophysics Data System (ADS)

Dong, Lianyang; Besara, Tiglet; Siegrist, Theo

The elpasolite K2PbCu(NO2)6is known for its two structural transitions at 281 K and 273 K. Single crystals of K2PbCu(NO2)6 have been grown in aqueous solution, but the rapid nucleation rate and convective transport renders it difficult to obtain large high quality single crystals. We developed a gel method to grow K2PbCu(NO2)6 Elpasolite with sizes up to 5x5x5 mm3, suitable for neutron diffraction measurements. Susceptibility measurements clearly show that the Jahn-Teller distortions at 286K and 273K with associated orbital ordering produce a linear chain Heisenberg antiferromagnetic system. The intrachain interaction strength has been derived from a Bonner-Fisher analysis that yielded a value of 5.4K. This work was supported by the National Science Foundation, under award DMR-1534818. A portion of this work has been performed at the National High Magnetic Field Laboratory, which is supported by the National Science Foundation Cooperative Agreement.

Correlations of crystallographic defects and anisotropy with magnetotransport properties in Fe x TaS 2 single crystals ( 0.23 ≤ x ≤ 0.35 )

DOE PAGES

Chen, Chih-Wei; Chikara, Shalinee; Zapf, Vivien S.; ...

2016-08-02

Very large magnetoresistance discovered in single crystals of the ferromagnetic Fe-intercalated transition metal dichalcogenide, Fe 0.28TaS 2 was attributed to the deviation of the Fe concentration from commensurate values (x = 1/4 or 1/3), which caused magnetic moment misalignments. Here we report a study of Fe xTaS 2 crystals with 0:23 ≤ x ≤ 0:35, demonstrating that crystallographic defects lead to spin disorder, which correlates with magneto-transport properties such as switching magnetic fi eld HS, magnetoresistance MR, and even zero-field resistivity ρ0 and temperature coefficient A in ρ(T) = ρ 0 + AT 2: The ordering temperature T C andmore » Weiss temperature θ W are maximized at the superstructure composition x = 1/4, while H s, MR, ρ 0, and A are minimum. Conversely, at a composition intermediate between the superstructure compositions x = 1/4 and 1/3, the corresponding magneto-transport properties reach local maxima.« less

Correlations of crystallographic defects and anisotropy with magnetotransport properties in Fe x TaS 2 single crystals ( 0.23 ≤ x ≤ 0.35 )

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

Chen, Chih-Wei; Chikara, Shalinee; Zapf, Vivien S.

Very large magnetoresistance discovered in single crystals of the ferromagnetic Fe-intercalated transition metal dichalcogenide, Fe 0.28TaS 2 was attributed to the deviation of the Fe concentration from commensurate values (x = 1/4 or 1/3), which caused magnetic moment misalignments. Here we report a study of Fe xTaS 2 crystals with 0:23 ≤ x ≤ 0:35, demonstrating that crystallographic defects lead to spin disorder, which correlates with magneto-transport properties such as switching magnetic fi eld HS, magnetoresistance MR, and even zero-field resistivity ρ0 and temperature coefficient A in ρ(T) = ρ 0 + AT 2: The ordering temperature T C andmore » Weiss temperature θ W are maximized at the superstructure composition x = 1/4, while H s, MR, ρ 0, and A are minimum. Conversely, at a composition intermediate between the superstructure compositions x = 1/4 and 1/3, the corresponding magneto-transport properties reach local maxima.« less

Discussion on optical response of liquid-crystal BPIII driven by an inclined electric field.

NASA Astrophysics Data System (ADS)

Chen, Hui-Yu; Wang, Yen-Wen

Three blue phases exist between the chiral nematic and the liquid phase. Compared with the electro-optical properties of BPI and BPII, BPIII is a fast response photonic device with no residual birefringence, and less hysteresis effect when an in-plane electric field is applied. However, the in-the-plane field is not uniform and then the electro-optical properties is more complicate than that we can image. This is a key point for further application of BP. In this paper, a grating-like vertical electric field is used to induce the two different optical phenomena of BPIII. As the electric field is turned on, the light transmittance rapidly increases to a stable value (<0.5 ms, Kerr effect). If the applied voltage is a dc, the transmittance will remind in this stable value. However, when the applied voltage is ac, the transmittance will oscillate with the frequency. The change in transmittance will be obvious in a low frequency. From our observation, we have known that the oscillation of the transmittance is not caused by the ion effect. It is induced by reorientation of the induced optical axis (flexoeletric effect). Thus, we can control the applied frequency and the amplitude to modulate the contribution of Kerr effect and flexoelectric effect. MOST 105-2112-M-005-010.

Control of spontaneous emission from a microwave-field-driven four-level atom in an anisotropic photonic crystal

NASA Astrophysics Data System (ADS)

Zhang, Duo; Li, Jiahua; Ding, Chunling; Yang, Xiaoxue

2012-05-01

The spontaneous emission properties of a microwave-field-driven four-level atom embedded in anisotropic double-band photonic crystals (PCs) are investigated. We discuss the influences of the band-edge positions, Rabi frequency and detuning of the microwave field on the emission spectrum. It is found that several interesting features such as spectral-line enhancement, spectral-line suppression, spectral-line overlap, and multi-peak structures can be observed in the spectra. The proposed scheme can be achieved by use of a microwave-coupled field into hyperfine levels in rubidium atom confined in a photonic crystal. These theoretical investigations may provide more degrees of freedom to manipulate the atomic spontaneous emission.

Molecular reorientation of a nematic liquid crystal by thermal expansion

PubMed Central

Kim, Young-Ki; Senyuk, Bohdan; Lavrentovich, Oleg D.

2012-01-01

A unique feature of nematic liquid crystals is orientational order of molecules that can be controlled by electromagnetic fields, surface modifications and pressure gradients. Here we demonstrate a new effect in which the orientation of nematic liquid crystal molecules is altered by thermal expansion. Thermal expansion (or contraction) causes the nematic liquid crystal to flow; the flow imposes a realigning torque on the nematic liquid crystal molecules and the optic axis. The optical and mechanical responses activated by a simple temperature change can be used in sensing, photonics, microfluidic, optofluidic and lab-on-a-chip applications as they do not require externally imposed gradients of temperature, pressure, surface realignment, nor electromagnetic fields. The effect has important ramifications for the current search of the biaxial nematic phase as the optical features of thermally induced structural changes in the uniaxial nematic liquid crystal mimic the features expected of the biaxial nematic liquid crystal. PMID:23072803

Field emission investigations of single crystal LaB6 FEA fabricated by femtosecond laser direct writing

NASA Astrophysics Data System (ADS)

Liu, Hongliang; Zhang, Xin; Li, Yuancheng; Xiao, Yixin; Zhang, Wei; Zhang, Jiu-Xing

2018-04-01

The femtosecond laser direct writing method has been used to fabricate the single crystal lanthanum hexaboride (LaB6) field-emission tip arrays (FEAs). The morphologies, structure phase, and field emission of the single crystal LaB6 FEAs are systematically studied. The nanostructures on the surface of tips with the LaB6 phase were formed, resulting in favor of improving field emission, particularly for samples with the nanohill shaped bulges having the size of about 100 nm. The produced single crystal LaB6 FEAs have a uniform structure and a controllable curvature radius of about 0.5-3.0 μm. The FEAs with a curvature radius of about 0.5 μm as field emitters have the best field emission performance, which the field emission turns on and the threshold electric fields are as low as 2.2 and 3.8 V/μm with an emission current of 1.0 A/cm2 at 8.0 V/μm, and the emission current exhibits high stability. These indicate that the processed LaB6 FEAs have a good prospect applied in vacuum microelectronic devices and the simple femtosecond laser direct writing method could lead to an approach for the development of electron sources.

Design and performance evaluation of a high resolution IRI-microPET preclinical scanner

NASA Astrophysics Data System (ADS)

Islami rad, S. Z.; Peyvandi, R. Gholipour; lehdarboni, M. Askari; Ghafari, A. A.

2015-05-01

PET for small animal, IRI-microPET, was designed and built at the NSTRI. The scanner is made of four detectors positioned on a rotating gantry at a distance 50 mm from the center. Each detector consists of a 10×10 crystal matrix of 2×2×10 mm3 directly coupled to a PS-PMT. A position encoding circuit for specific PS-PMT has been designed, built and tested with a PD-MFS-2MS/s-8/14 data acquisition board. After implementing reconstruction algorithms (FBP, MLEM and SART) on sinograms, images quality and system performance were evaluated by energy resolution, timing resolution, spatial resolution, scatter fraction, sensitivity, RMS contrast and SNR parameters. The energy spectra were obtained for the crystals with an energy window of 300-700 keV. The energy resolution in 511 keV averaged over all modules, detectors, and crystals, was 23.5%. A timing resolution of 2.4 ns FWHM obtained by coincidence timing spectrum was measured with crystal LYSO. The radial and tangential resolutions for 18F (1.15-mm inner diameter) at the center of the field of view were 1.81 mm and 1.90 mm, respectively. At a radial offset of 5 mm, the FWHM values were 1.96 and 2.06 mm. The system scatter fraction was 7.1% for the mouse phantom. The sensitivity was measured for different energy windows, leading to a sensitivity of 1.74% at the center of FOV. Also, images quality was evaluated by RMS contrast and SNR factors, and the results show that the reconstructed images by MLEM algorithm have the best RMS contrast, and SNR. The IRI-microPET presents high image resolution, low scatter fraction values and improved SNR for animal studies.

Structure and thermodynamic properties of (C5H12N)CuBr3: a new weakly coupled antiferromagnetic spin-1/2 chain complex lying in the 1D-3D dimensional cross-over regime.

PubMed

Pan, Bingying; Wang, Yang; Zhang, Lijuan; Li, Shiyan

2014-04-07

Single crystals of a metal organic complex (C5H12N)CuBr3 (C5H12N = piperidinium, pipH for short) have been synthesized, and the structure was determined by single-crystal X-ray diffraction. (pipH)CuBr3 crystallizes in the monoclinic group C2/c. Edging-sharing CuBr5 units link to form zigzag chains along the c axis, and the neighboring Cu(II) ions with spin-1/2 are bridged by bibromide ions. Magnetic susceptibility data down to 1.8 K can be well fitted by the Bonner-Fisher formula for the antiferromagnetic spin-1/2 chain, giving the intrachain magnetic coupling constant J ≈ -17 K. At zero field, (pipH)CuBr3 shows three-dimensional (3D) order below TN = 1.68 K. Calculated by the mean-field theory, the interchain coupling constant J' = -0.91 K is obtained and the ordered magnetic moment m0 is about 0.23 μB. This value of m0 makes (pipH)CuBr3 a rare compound suitable to study the 1D-3D dimensional cross-over problem in magnetism, since both 3D order and one-dimensional (1D) quantum fluctuations are prominent. In addition, specific heat measurements reveal two successive magnetic transitions with lowering temperature when external field μ0H ≥ 3 T is applied along the a' axis. The μ0H-T phase diagram of (pipH)CuBr3 is roughly constructed.

Coexistence of ferromagnetism and unconventional spin-glass freezing in the site-disordered kagome ferrite SrS n2F e4O11

NASA Astrophysics Data System (ADS)

Shlyk, L.; Strobel, S.; Farmer, B.; De Long, L. E.; Niewa, R.

2018-02-01

Single-crystal x-ray diffraction refinements indicate SrS n2F e4O11 crystallizes in the hexagonal R -type ferrite structure with noncentrosymmetric space group P 63m c and lattice parameters a =5.9541 (2 )Å , c =13.5761 (5 )Å , Z =2 (R (F )=0.034 ). Octahedrally coordinated 2 a [M (1) and M (1a)] and 6 c sites [M (2 )] have random, mixed occupation by Sn and Fe; whereas the tetrahedrally coordinated 2 b sites [Fe(3) and Fe(3a)] are exclusively occupied by Fe, whose displacement from the ideal position with trigonal-bipyramidal coordination causes the loss of inversion symmetry. Our dc and ac magnetization data indicate SrS n2F e4O11 single crystals undergo a ferro- or ferri-magnetic transition below a temperature TC=630 K with very low coercive fields μoHc ⊥=0.27 Oe and μoHc ∥=1.5 Oe at 300 K, for applied field perpendicular and parallel to the c axis, respectively. The value for TC is exceptionally high, and the coercive fields exceptionally low, among the known R-type ferrites. Time-dependent dc magnetization and frequency-dependent ac magnetization data indicate the onset of short-range, spin-glass freezing below Tf=35.8 K , which results from crystallographic disorder of magnetic F e3 + and nonmagnetic S n4 + ions on a frustrated Kagome sublattice. Anomalous ac susceptibility and thermomagnetic relaxation behavior in the short-range-ordered state differs from that of conventional spin glasses. Optical measurements in the ultraviolet to visible frequency range in a diffuse reflectance geometry indicate an overall optical band gap of 0.8 eV, consistent with observed semiconducting properties.

Piezoelectrically-induced trap-depth reduction model of elastico-mechanoluminescent materials

NASA Astrophysics Data System (ADS)

Chandra, B. P.; Chandra, V. K.; Jha, Piyush

2015-03-01

Considering the detrapping of charge carriers due to reduction in trap-depth caused by piezoelectric field produced by applied pressure, an expression is derived for the detrapping rate of electrons. Then, an expression is obtained for the rate of generation of excited ions produced during capture of detrapped electrons by Eu3+ ions in persistent luminescent materials or by the energy released during electron-hole recombination in ZnS:Mn crystals. Finally, an expression is explored for the elastico-mechanoluminescence (EML) intensity, which is able to explain satisfactorily the characteristics of EML for the application of static pressure as well as for impact pressure. The total number of detrapped electrons and the total EML intensity are found to increase linearly with the electrostatic energy of the crystals in piezoelectric field. It is shown that the EML intensity should increase with the EML efficiency, number of crystallites (volume of sample), concentration of local piezoelectric regions in crystallites, piezoelectric constant of local piezoelectric regions, average length of the local piezoelectric regions, total number of electron traps, pressing rate, and applied pressure, and it should be higher for the materials having low value of threshold pressure and low value of trap-depth in unstressed condition. On the basis of the piezoelectrically-induced trap-depth reduction model of EML reported in the present investigation novel intense elastico mechanoluminescent materials having repetitive EML with undiminished intensity for successive loadings can be tailored which may find applications in sensing, imaging, lighting, colored displays, and other mechano-optical devices.

Crystallization kinetics of orthorhombic paracetamol from supercooled melts studied by non-isothermal DSC.

PubMed

Nikolakakis, Ioannis; Kachrimanis, Kyriakos

2017-02-01

A simple and highly reproducible procedure was established for the study of orthorhombic paracetamol crystallization kinetics, comprising melting, quench-cooling of the melt and scanning the formed glass by DSC at different heating rates. Results were analyzed on the basis of the mean as well as local values of the Avrami exponent, n, the energy of activation, as well as the Šesták-Berggren two-parameter autocatalytic kinetic model. The mean value of the Avrami kinetic exponent, n, ranged between 3 and 5, indicating deviation from the nucleation and growth mechanism underlying the Johnson-Mehl, Avrami-Kolmogorov (JMAK) model. To verify the extent of the deviation, local values of the Avrami exponent as a function of the volume fraction transformed were calculated. Inspection of the local exponent values indicates that the crystallization mechanism changes over time, possibly reflecting the uncertainty of crystallization onset, instability of nucleation due to an autocatalytic effect of the crystalline phase, and growth anisotropy due to impingement of spherulites in the last stages of crystallization. The apparent energy of activation, E a , has a rather low mean value, close to 81 kJ/mol, which is in agreement with the observed instability of glassy-state paracetamol. Isoconversional methods revealed that E a tends to decrease with the volume fraction transformed, possibly because of the different energy demands of nucleation and growth. The exponents of the Šesták-Berggren two-parameter model showed that the crystallized fraction influences the process, confirming the complexity of the crystallization mechanism.

Redox process catalysed by growing crystal-strengite, FePO4,2H2O, crystallizing from solution with iron(II) and hydroxylamine

NASA Astrophysics Data System (ADS)

Lundager Madsen, Hans Erik

2014-09-01

In an attempt to grow pure crystals of the iron(II) phosphate vivianite, Fe3(PO4)2,8H2O, from a solution of Mohr's salt, Fe(NH4)2(SO4)2,6H2O, added to a solution of ammonium phosphate, hydroxylammonium chloride, NH3OHCl, was added to the iron(II) stock solution to eliminate oxidation of iron(II) by oxygen from the air. However, the effect turned out to be the opposite of the expected: whereas hydroxylamine reduces iron(III) in bulk solution, it acted as a strong oxidant in the presence of growing iron phosphate crystals, causing the crystallization of the iron(III) phosphate strengite, FePO4,2H2O, as the only solid phase. Evidently the crystal surface catalyses oxidation of iron(II) by hydroxylamine. The usual composite kinetics of spiral growth and surface nucleation was found. The surface-nucleation part yielded edge free energy λ in the range 12-45 pJ/m, virtually independent of temperature and in the range typical for phosphates of divalent metals. The scatter of values for λ presumably arises from contributions from different crystal forms to the overall growth rate. The low mean value points to strong adsorption of iron(II), which is subsequently oxidized at the crystal surface, forming strengite. The state of the system did not tend to thermodynamic equilibrium, but to a metastable state, presumably controlled by the iron(II) rich surface layer of the crystal. In addition to crystal growth, it was possible to measure nucleation kinetics by light scattering (turbidimetry). A point of transition from heterogeneous to homogeneous nucleation was found, and from the results for the homogeneous domain a rather precise value of crystal surface free energy γ=55 mJ/m2 was found. This is a relatively low value as well, indicating that the redox process plays a role already at the nucleation stage.

Increasing the switching speed of liquid crystal devices with magnetic nanorods

NASA Astrophysics Data System (ADS)

Garbovskiy, Yu.; Baptist, J. R.; Thompson, J.; Hunter, T.; Lim, J. H.; Gi Min, Seong; Wiley, J. B.; Malkinski, L. M.; Glushchenko, A.; Celinski, Z.

2012-10-01

Liquid crystal (LC)/magnetic nanorods colloids were fabricated and tested using a magneto-optical setup. These thermotropic ferronematics do not show any signs of macroscopic aggregation, exhibit enhanced magnetic sensitivity, and faster time response in the simultaneous presence of crossed electric and magnetic fields. Magnetic nanorods increase an effective magnetic anisotropy of the colloid and decrease magnetic Freedericksz threshold. Applying a magnetic field along the direction perpendicular to the applied electric field leads to a decrease of the time OFF by a factor of 6 for pure liquid crystals, and by a factor of 9—for ferronematics.

Field alignment of bent-core smectic liquid crystals for analog optical phase modulation

NASA Astrophysics Data System (ADS)

Shen, Y.; Goodhew, L.; Shao, R.; Moran, M.; Korblova, E.; Walba, D. M.; Clark, N. A.; Maclennan, J. E.; Rudquist, P.

2015-05-01

A general method for aligning bent-core smectic liquid crystal materials is described. Alternating electric fields between interdigitated electrodes patterned on one cell surface create torques on the liquid crystal that result in uniform "bookshelf" orientation of the smectic layers. The aligned cell can then be driven in the conventional way by applying an electric field between all of the stripe electrodes connected together and a monolithic electrode on the other cell surface. Fast, analog, optical phase-only modulation is demonstrated in a device containing a polar, bent-core SmAPF material aligned using this technique.

Antiferromagnetism in semiconducting SrMn 2 Sb 2 and BaMn 2 Sb 2 single crystals

DOE PAGES

Sangeetha, N. S.; Smetana, V.; Mudring, A. -V.; ...

2018-01-03

Here, crystals of SrMn 2Sb 2 and BaMn 2Sb 2 were grown using Sn flux and characterized by powder and single-crystal x-ray diffraction, respectively, and by single-crystal electrical resistivity ρ, heat capacity C p, and magnetic susceptibility χ measurements versus temperature T, and magnetization versus field M(H) isotherm measurements. SrMn 2Sb 2 adopts the trigonal CaAl 2Si 2-type structure, whereas BaMn 2Sb 2 crystallizes in the tetragonal ThCr 2Si 2-type structure. The ρ(T) data indicate semiconducting behaviors for both compounds with activation energies of ≳0.35 eV for SrMn 2Sb 2 and 0.16 eV for BaMn 2Sb 2. The χ(T) andmore » C p(T) data reveal antiferromagnetic (AFM) ordering at T N = 110 K for SrMn 2Sb 2 and 450 K for BaMn 2Sb 2. The anisotropic χ(T≤T N) data also show that the ordered moments in SrMn 2Sb 2 are aligned in the hexagonal ab plane, whereas the ordered moments in BaMn 2Sb 2 are aligned collinearly along the tetragonal c axis. The ab-plane M(H) data for SrMn 2Sb 2 exhibit a continuous metamagnetic transition at low fields 02Sb 2 exhibits no metamagnetic transitions up to 5.5 T. The χ(T) and C p(T) data for both SrMn 2Sb 2 and BaMn 2Sb 2 indicate strong dynamic short-range AFM correlations above their respective T N up to at least 900 K within a local-moment picture, corresponding to quasi-two-dimensional magnetic behavior. The present results and a survey of the literature for Mn pnictides with the CaAl 2Si 2 and ThCr 2Si 2 crystal structures show that the T N values for the CaAl 2Si 2-type compounds are much smaller than those for the ThCr 2Si 2-type materials.« less

Antiferromagnetism in semiconducting SrMn2Sb2 and BaMn2Sb2 single crystals

NASA Astrophysics Data System (ADS)

Sangeetha, N. S.; Smetana, V.; Mudring, A.-V.; Johnston, D. C.

2018-01-01

Crystals of SrMn2Sb2 and BaMn2Sb2 were grown using Sn flux and characterized by powder and single-crystal x-ray diffraction, respectively, and by single-crystal electrical resistivity ρ , heat capacity Cp, and magnetic susceptibility χ measurements versus temperature T , and magnetization versus field M (H ) isotherm measurements. SrMn2Sb2 adopts the trigonal CaAl2Si2 -type structure, whereas BaMn2Sb2 crystallizes in the tetragonal ThCr2Si2 -type structure. The ρ (T ) data indicate semiconducting behaviors for both compounds with activation energies of ≳0.35 eV for SrMn2Sb2 and 0.16 eV for BaMn2Sb2 . The χ (T ) and Cp(T ) data reveal antiferromagnetic (AFM) ordering at TN = 110 K for SrMn2Sb2 and 450 K for BaMn2Sb2 . The anisotropic χ (T ≤TN) data also show that the ordered moments in SrMn2Sb2 are aligned in the hexagonal a b plane, whereas the ordered moments in BaMn2Sb2 are aligned collinearly along the tetragonal c axis. The a b -plane M (H ) data for SrMn2Sb2 exhibit a continuous metamagnetic transition at low fields 0

Current response of a TlBr detector to {sup 137}Cs {gamma}-ray radiation

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

Gazizov, I. M., E-mail: gazizov@isotop.dubna.ru; Zaletin, V. M.; Kukushkin, V. M.

2011-05-15

The current response of a TlBr detector to {sup 137}Cs {gamma}-ray radiation has been studied in the dose-rate range 0.033-3.84 Gy/min and within the voltage range 1-300 V; the detectors are based on pure and doped TlBr crystals grown from the melt by the Bridgman-Stockbarger method. The mass fraction of Pb or Ca introduced into the TlBr crystals was 1-10 ppm for Pb and 150 ppm for Ca. The current response of nominally undoped TlBr samples was nearly linear over two decades of studied dose rates. Deep hole levels associated with cationic vacancies V{sub c}{sup -} determine the dependence ofmore » the current response on the voltage in the high electric fields. The parameters of the carriers' transport {mu}{tau} are determined. The TlBr crystals grown in vacuum and in the bromine vapor exhibit a large mobility-lifetime product of 4.3 Multiplication-Sign 10{sup -4} and 6.4 Multiplication-Sign 10{sup -5} cm{sup 2}V{sup -1}, respectively. The value of {mu}{tau} is in the range (4-9) Multiplication-Sign 10{sup -5} cm{sup 2}V{sup -1} for crystals doped with a divalent cation.« less

Luminescence, magnetic and vibrational properties of novel heterometallic niccolites [(CH3)2NH2][CrIIIMII(HCOO)6] (MII=Zn, Ni, Cu) and [(CH3)2NH2][AlIIIZnII(HCOO)6]:Cr3+

NASA Astrophysics Data System (ADS)

Mączka, Mirosław; Pietraszko, Adam; Pikul, Adam; Hermanowicz, Krzysztof

2016-01-01

We report synthesis of three novel heterometallic MOFs, [(CH3)2NH2][CrIIIMII(HCOO)6] with M=Zn (DMCrZn), Ni (DMCrNi) and Cu (DMCrCu), crystallizing in the niccolite type structure. We also successfully synthesized [(CH3)2NH2][AlCu(HCOO)6] (DMAlCu) and [(CH3)2NH2][AlZn(HCOO)6] doped with 5.8 mol% of Cr3+ (DMAlZn: Cr). X-ray diffraction shows that DMCrZn, DMCrNi and DMAlZn: Cr3+ crystallize in the trigonal structure (space group P 3 bar1c) while DMCrCu and DMAlCu crystallize in the monoclinic structure (space group C2/c). Magnetic investigation of the chromium-based niccolites reveals no magnetic order in DMCrZn and ferromagnetic order in DMCrNi and DMCrCu below 23 and 11 K, respectively. Optical studies show that DMCrZn and DMAlZn: Cr samples exhibit efficient emission typical for chromium ions located at sites of strong crystal field with the Dq/B values 2.62 and 2.67, respectively. We also discuss role of geometrical parameters in stability of the perovskite and niccolite structures.

Giant increase of critical current density and vortex pinning in Mn doped K{sub x}Fe{sub 2−y}Se{sub 2} single crystals

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

Li, Mingtao; Zhang, Jincang, E-mail: jczhang@staff.shu.edu.cn; Materials Genome Institute, Shanghai University, Shanghai 200444

2014-11-10

We report a comparative study of the critical current density (J{sub c}) and vortex pinning among pure and Mn doped K{sub x}Fe{sub 2−y}Se{sub 2} single crystals. It is found that the J{sub c} values can be greatly improved by Mn doping and post-quenching treatment when comparing to pristine pure sample. In contrast to pure samples, an anomalous second magnetization peak (SMP) effect is observed in both 1% and 2% Mn doped samples at T = 3 K for H∥ab but not for H∥c. Referring to Dew-Hughes and Kramer's model, we performed scaling analyses of the vortex pinning force density vs magnetic field inmore » 1% Mn doped and quenched pristine crystals. The results show that the normal point defects are the dominant pinning sources, which probably originate from the variations of intercalated K atoms. We propose that the large nonsuperconducting K-Mn-Se inclusions may contribute to the partial normal surface pinning and give rise to the anomalous SMP effect for H∥ab in Mn doped crystals. These results may facilitate further understanding of the superconductivity and vortex pinning in intercalated iron-selenides superconductors.« less

Strain-relief by single dislocation loops in calcite crystals grown on self-assembled monolayers

DOE PAGES

Ihli, Johannes; Clark, Jesse N.; Côté, Alexander S.; ...

2016-06-15

Most of our knowledge of dislocation-mediated stress relaxation during epitaxial crystal growth comes from the study of inorganic heterostructures. In this study, we use Bragg coherent diffraction imaging to investigate a contrasting system, the epitaxial growth of calcite (CaCO 3) crystals on organic self-assembled monolayers, where these are widely used as a model for biomineralization processes. The calcite crystals are imaged to simultaneously visualize the crystal morphology and internal strain fields. Our data reveal that each crystal possesses a single dislocation loop that occupies a common position in every crystal. The loops exhibit entirely different geometries to misfit dislocations generatedmore » in conventional epitaxial thin films and are suggested to form in response to the stress field, arising from interfacial defects and the nanoscale roughness of the substrate. In conclusion, this work provides unique insight into how self-assembled monolayers control the growth of inorganic crystals and demonstrates important differences as compared with inorganic substrates.« less

A drunken search in crystallization space

PubMed Central

Fazio, Vincent J.; Peat, Thomas S.; Newman, Janet

2014-01-01

The REMARK280 field of the Protein Data Bank is the richest open source of successful crystallization information. The REMARK280 field is optional and currently uncurated, so significant effort needs to be applied to extract reliable data. There are well over 15 000 crystallization conditions available commercially from 12 different vendors. After putting the PDB crystallization information and the commercial cocktail data into a consistent format, these data are used to extract information about the overlap between the two sets of crystallization conditions. An estimation is made as to which commercially available conditions are most appropriate for producing well diffracting crystals by looking at which commercial conditions are found unchanged (or almost unchanged) in the PDB. Further analyses include which commercial kits are the most appropriate for shotgun or more traditional approaches to crystallization screening. This analysis suggests that almost 40% of the crystallization conditions found currently in the PDB are identical or very similar to a commercial condition. PMID:25286930

Strain-relief by single dislocation loops in calcite crystals grown on self-assembled monolayers

PubMed Central

Ihli, Johannes; Clark, Jesse N.; Côté, Alexander S.; Kim, Yi-Yeoun; Schenk, Anna S.; Kulak, Alexander N.; Comyn, Timothy P.; Chammas, Oliver; Harder, Ross J.; Duffy, Dorothy M.; Robinson, Ian K.; Meldrum, Fiona C.

2016-01-01

Most of our knowledge of dislocation-mediated stress relaxation during epitaxial crystal growth comes from the study of inorganic heterostructures. Here we use Bragg coherent diffraction imaging to investigate a contrasting system, the epitaxial growth of calcite (CaCO3) crystals on organic self-assembled monolayers, where these are widely used as a model for biomineralization processes. The calcite crystals are imaged to simultaneously visualize the crystal morphology and internal strain fields. Our data reveal that each crystal possesses a single dislocation loop that occupies a common position in every crystal. The loops exhibit entirely different geometries to misfit dislocations generated in conventional epitaxial thin films and are suggested to form in response to the stress field, arising from interfacial defects and the nanoscale roughness of the substrate. This work provides unique insight into how self-assembled monolayers control the growth of inorganic crystals and demonstrates important differences as compared with inorganic substrates. PMID:27302863

Effect of the Crystallization Process on the Marginal and Internal Gaps of Lithium Disilicate CAD/CAM Crowns

PubMed Central

Kim, Jae-Hong; Oh, Seunghan; Uhm, Soo-Hyuk

2016-01-01

The aim of this study is to quantify the effect of the crystallization process on lithium disilicate ceramic crowns fabricated using a computer-aided design/computer-aided manufacturing (CAD/CAM) system and to determine whether the effect of crystallization is clinically acceptable by comparing values of fit before and after the crystallization process. The mandibular right first molar was selected as the abutment for the experiments. Fifteen working models were prepared. Lithium disilicate crowns appropriate for each abutment were prepared using a commercial CAD/CAM system. Gaps in the marginal area and 4 internal areas of each crown were measured twice—before and after crystallization—using the silicone replica technique. The mean values of fit before and after crystallization were analyzed using a paired t-test to examine whether the conversion that occurred during crystallization affected marginal and internal gaps (α = 0.05). Gaps increased in the marginal area and decreased in the internal areas after crystallization. There were statistically significant differences in all of the investigated areas (P < 0.05). None of the values for marginal and internal fit of lithium disilicate CAD/CAM crowns after crystallization exceeded 120 μm, which is the clinically acceptable threshold. PMID:27123453

Characteristics of a liquid-crystal-filled composite lattice terahertz bandgap fiber

NASA Astrophysics Data System (ADS)

Bai, Jinjun; Ge, Meilan; Wang, Shasha; Yang, Yanan; Li, Yong; Chang, Shengjiang

2018-07-01

A new type of terahertz fiber is presented based on composite lattice photonic crystal bandgap. The cladding is filled selectively with the nematic liquid crystal 5CB which is sensitive to the electric field. The terahertz wave can be modulated by using the electric field to control the orientation of liquid crystal molecules. The plane wave expansion method and the finite element method are employed to theoretically analyze bandgap characteristics, polarization characteristics, energy fraction and material absorption loss. The results show that this fiber structure can be used as tunable terahertz polarization controller.

Unusual ruby-sapphire transition in alluvial megacrysts, Cenozoic basaltic gem field, New England, New South Wales, Australia

NASA Astrophysics Data System (ADS)

Sutherland, Frederick L.; Graham, Ian T.; Harris, Stephen J.; Coldham, Terry; Powell, William; Belousova, Elena A.; Martin, Laure

2017-05-01

Rare ruby crystals appear among prevailing sapphire crystals mined from placers within basaltic areas in the New England gem-field, New South Wales, Australia. New England ruby (NER) has distinctive trace element features compared to those from ruby elsewhere in Australia and indeed most ruby from across the world. The NER suite includes ruby (up to 3370 ppm Cr), pink sapphire (up to 1520 ppm Cr), white sapphire (up to 910 ppm) and violet, mauve, purple, or bluish sapphire (up to 1410 ppm Cr). Some crystals show outward growth banding in this respective colour sequence. All four colour zones are notably high in Ga (up to 310 ppm) and Si (up to 1820 ppm). High Ga and Ga/Mg values are unusual in ruby and its trace element plots (laser ablation-inductively coupled plasma-mass spectrometry) and suggests that magmatic-metasomatic inputs were involved in the NER suite genesis. In situ oxygen isotope analyses (secondary ion mass spectrometry) across the NER suite colour range showed little variation (n = 22; δ18O = 4.4 ± 0.4, 2σ error), and are values typical for corundum associated with ultramafic/mafic rocks. The isolated NER xenocryst suite, corroded by basalt transport and with few internal inclusions, presents a challenge in deciphering its exact origin. Detailed consideration of its high Ga chemistry in relation to the known geology of the surrounding region was used to narrow down potential sources. These include Late Palaeozoic-Triassic fractionated I-type granitoid magmas or Mesozoic-Cenozoic felsic fractionates from basaltic magmas that interacted with early Palaeozoic Cr-bearing ophiolite bodies in the New England Orogen. Other potential sources may lie deeper within lower crust-mantle metamorphic assemblages, but need to match the anomalous high-Ga geochemistry of the New England ruby suite.

Wafer-scale single-crystal perovskite patterned thin films based on geometrically-confined lateral crystal growth

PubMed Central

Lee, Lynn; Baek, Jangmi; Park, Kyung Sun; Lee, Yong-EunKoo; Shrestha, Nabeen K.; Sung, Myung M.

2017-01-01

We report a facile roll-printing method, geometrically confined lateral crystal growth, for the fabrication of large-scale, single-crystal CH3NH3PbI3 perovskite thin films. Geometrically confined lateral crystal growth is based on transfer of a perovskite ink solution via a patterned rolling mould to a heated substrate, where the solution crystallizes instantly with the immediate evaporation of the solvent. The striking feature of this method is that the instant crystallization of the feeding solution under geometrical confinement leads to the unidirectional lateral growth of single-crystal perovskites. Here, we fabricated single-crystal perovskites in the form of a patterned thin film (3 × 3 inch) with a high carrier mobility of 45.64 cm2 V−1 s−1. We also used these single-crystal perovskite thin films to construct solar cells with a lateral configuration. Their active-area power conversion efficiency shows a highest value of 4.83%, which exceeds the literature efficiency values of lateral perovskite solar cells. PMID:28691697

Thermal, dielectric studies on pure and amino acid ( L-glutamic acid, L-histidine, L-valine) doped KDP single crystals

NASA Astrophysics Data System (ADS)

Kumaresan, P.; Moorthy Babu, S.; Anbarasan, P. M.

2008-05-01

Amino acids ( L-glutamic acid, L-histidine, L-valine) doped potassium dihydrogen phospate crystals are grown by solution growth technique. Slow cooling as well as slow evaporation methods were employed to grow these crystals. The concentration of dopants in the mother solution was varied from 0.1 mol% to 10 mol%. The solubility data for all dopants concentration were determined. There is variation in pH value and hence, there is habit modification of the grown crystals were characterized with UV-VIS, FT-IR studies, SHG trace elements and dielectric studies reveal slight distortion of lattice parameter for the heavily doped KDP crystals. UV-Visible spectra confirm the improvement in the transparency of these crystals on doping metal ions. FT-IR spectra reveal strong absorption band between 1400 and 1600 cm -1 for metal ion doped crystals. TGA-DTA studies reveal good thermal stability. The dopants increase the hardness value of the material and it also depends on the concentration of the dopants. Amino acids doping improved the NLO properties. The detailed results on the spectral parameters, habit modifications and constant values will be presented.

Er3+-doped transparent glass ceramics containing micron-sized SrF2 crystals for 2.7 μm emissions

PubMed Central

Jiang, Yiguang; Fan, Jintai; Jiang, Benxue; Mao, Xiaojian; Tang, Junzhou; Xu, Yinsheng; Dai, Shixun; Zhang, Long

2016-01-01

Er3+-doped transparent glass ceramics containing micron-sized SrF2 crystals were obtained by direct liquid-phase sintering of a mixture of SrF2 powders and precursor glass powders at 820 °C for 15 min. The appearance and microstructural evolution of the SrF2 crystals in the resulting glass ceramics were investigated using X-ray diffraction, field-emission scanning electron microscopy and transmission microscopy. The SrF2 crystals are ~15 μm in size and are uniformly distributed throughout the fluorophosphate glass matrix. The glass ceramics achieve an average transmittance of 75% in the visible region and more than 85% in the near-IR region. The high transmittance of the glass ceramics results from matching the refractive index of the SrF2 with that of the precursor glass. Energy dispersive spectroscopy, photoluminescence spectra, and photoluminescence lifetimes verified the incorporation of Er3+ into the micron-sized SrF2 crystals. Intense 2.7 μm emissions due to the 4I11/2 → 4I13/2 transition were observed upon excitation at 980 nm using a laser diode. The maximum value of the emission cross section of Er3+ around 2.7 μm is more than 1.2 × 10−20 cm2, which indicates the potential of using transparent glass ceramics containing micron-sized SrF2 crystals for efficient 2.7 μm lasers and amplifiers. PMID:27430595

Er(3+)-doped transparent glass ceramics containing micron-sized SrF2 crystals for 2.7 μm emissions.

PubMed

Jiang, Yiguang; Fan, Jintai; Jiang, Benxue; Mao, Xiaojian; Tang, Junzhou; Xu, Yinsheng; Dai, Shixun; Zhang, Long

2016-07-19

Er(3+)-doped transparent glass ceramics containing micron-sized SrF2 crystals were obtained by direct liquid-phase sintering of a mixture of SrF2 powders and precursor glass powders at 820 °C for 15 min. The appearance and microstructural evolution of the SrF2 crystals in the resulting glass ceramics were investigated using X-ray diffraction, field-emission scanning electron microscopy and transmission microscopy. The SrF2 crystals are ~15 μm in size and are uniformly distributed throughout the fluorophosphate glass matrix. The glass ceramics achieve an average transmittance of 75% in the visible region and more than 85% in the near-IR region. The high transmittance of the glass ceramics results from matching the refractive index of the SrF2 with that of the precursor glass. Energy dispersive spectroscopy, photoluminescence spectra, and photoluminescence lifetimes verified the incorporation of Er(3+) into the micron-sized SrF2 crystals. Intense 2.7 μm emissions due to the (4)I11/2 → (4)I13/2 transition were observed upon excitation at 980 nm using a laser diode. The maximum value of the emission cross section of Er(3+) around 2.7 μm is more than 1.2 × 10(-20) cm(2), which indicates the potential of using transparent glass ceramics containing micron-sized SrF2 crystals for efficient 2.7 μm lasers and amplifiers.

Single-shot terahertz time-domain spectroscopy in pulsed high magnetic fields

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

Noe, II, G. Timothy; Katayama, Ikufumi; Katsutani, Fumiya

Here, we have developed a single-shot terahertz time-domain spectrometer to perform optical-pump/terahertz-probe experiments in pulsed, high magnetic fields up to 30 T. The single-shot detection scheme for measuring a terahertz waveform incorporates a reflective echelon to create time-delayed beamlets across the intensity profile of the optical gate beam before it spatially and temporally overlaps with the terahertz radiation in a ZnTe detection crystal. After imaging the gate beam onto a camera, we can retrieve the terahertz time-domain waveform by analyzing the resulting image. To demonstrate the utility of our technique, we measured cyclotron resonance absorption of optically excited carriers inmore » the terahertz frequency range in intrinsic silicon at high magnetic fields, with results that agree well with published values.« less

Single-shot terahertz time-domain spectroscopy in pulsed high magnetic fields

DOE PAGES

Noe, II, G. Timothy; Katayama, Ikufumi; Katsutani, Fumiya; ...

2016-12-22

Here, we have developed a single-shot terahertz time-domain spectrometer to perform optical-pump/terahertz-probe experiments in pulsed, high magnetic fields up to 30 T. The single-shot detection scheme for measuring a terahertz waveform incorporates a reflective echelon to create time-delayed beamlets across the intensity profile of the optical gate beam before it spatially and temporally overlaps with the terahertz radiation in a ZnTe detection crystal. After imaging the gate beam onto a camera, we can retrieve the terahertz time-domain waveform by analyzing the resulting image. To demonstrate the utility of our technique, we measured cyclotron resonance absorption of optically excited carriers inmore » the terahertz frequency range in intrinsic silicon at high magnetic fields, with results that agree well with published values.« less