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Sample records for crystal field cf

  1. Magnetic measurements and crystal field investigation on single crystals of Er(CF{sub 3}SO{sub 3}){sub 3}.9H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Bisui, D. [Solid State Research Laboratory, Department of Physics, Burdwan University, Burdwan 713 104, West Bengal (India); Chattopadhyay, K.N. [Institute of Science Education, Burdwan University, Burdwan 713 104, West Bengal (India); Chakrabarti, P.K. [Solid State Research Laboratory, Department of Physics, Burdwan University, Burdwan 713 104, West Bengal (India)], E-mail: pabitra_c@hotmail.com

    2008-02-15

    Single crystals of erbium tri-fluoromethanesulfonate (ErTFMS) were prepared from the slow evaporation of the aqueous solution. The principal magnetic susceptibilities perpendicular to the c-axis of the hexagonal crystal was measured down to 13 K. Principal magnetic anisotropy was also measured from 300 K down to 80 K which provides principal susceptibility parallel to the c-axis down to 80 K. A very good theoretical simulation of the thermal variation of principal magnetic susceptibilities of ErTFMS has been obtained with a crystal field (CF) of C{sub 3h} site symmetry, in which J-mixed eigenvectors and intermediate coupling effects have been used. No ordering effects were noticed down to the lowest temperature (13 K) attained, indicating the inter-ionic interaction to be of predominantly dipolar type. The g-values are found to be g{sub parallel}=8.86 and g{sub perpendicular}=1.62, respectively. The Schottky anomaly in the electronic heat capacity at about 80 K has been computed from the Stark pattern. The thermal behavior of quadrupole splitting and hyperfine heat capacity were calculated from the CF analysis.

  2. Terminological confusions and problems at the interface between the crystal field Hamiltonians and the zero-field splitting Hamiltonians—Survey of the CF=ZFS confusion in recent literature

    Energy Technology Data Exchange (ETDEWEB)

    Rudowicz, Czesław, E-mail: crudowicz@zut.edu.pl [Institute of Physics, West Pomeranian University of Technology, Al. Piastów 17, 70-310 Szczecin (Poland); Karbowiak, Mirosław [Faculty of Chemistry, University of Wrocław, ul. F. Joliot-Curie 14, 50-383 Wrocław (Poland)

    2014-10-15

    The single transition ions in various crystals or molecules as well as the exchange coupled systems (ECS) of transition ions, especially the single molecule magnets (SMM) or molecular nanomagnets (MNM), have been extensively studied in recent decades using electron magnetic resonance (EMR), optical spectroscopy, and magnetic measurements. Interpretation of magnetic and spectroscopic properties of transition ions is based on two physically distinct types of Hamiltonians: the physical crystal field (CF), or equivalently ligand field (LF), Hamiltonians and the effective spin Hamiltonians (SH), which include the zero-field splitting (ZFS) Hamiltonians. Survey of recent literature has revealed a number of terminological confusions and specific problems occurring at the interface between these Hamiltonians (denoted CF (LF)↔SH (ZFS)). Elucidation of sloppy or incorrect usage of crucial notions, especially those describing or parameterizing crystal fields and zero field splittings, is a very challenging task that requires several reviews. Here we focus on the prevailing confusion between the CF (LF) and SH (ZFS) quantities, denoted as the CF=ZFS confusion, which consists in referring to the parameters (or Hamiltonians), which are the true ZFS (or SH) quantities, as purportedly the CF (LF) quantities. The inverse ZFS=CF confusion, which pertains to the cases of labeling the true CF (LF) quantities as purportedly the ZFS quantities, is considered in a follow-up paper. The two reviews prepare grounds for a systematization of nomenclature aimed at bringing order to the zoo of different Hamiltonians. Specific cases of the CF=ZFS confusion identified in the recent textbooks, review articles, and SMM (MNM)- and EMR-related papers are surveyed and the pertinent misconceptions are outlined. The consequences of the terminological confusions go far beyond simple semantic issues or misleading keyword classifications of papers in journals and scientific databases. Serious

  3. The peculairities of material crystallization experiments in the CF-18 centrifuge under high gravity

    Science.gov (United States)

    Burdin, B. V.; Regel, L. L.; Turchaninov, A. M.; Shumaev, O. V.

    1992-04-01

    This paper presents data on the crystallization of various materials using the CF-18 centrifuge at the Gagarin Cosmonaut Center. The geometry and equipment are described. Consideration is given to some peculiarities of preparing and conducting crystal growth experiments in this centrifuge. Vibration in a coordinate system fixed to the crystal growth equipment and the reasons for its initiation are shown. From the results of experiments conducted during the last 10 years, it was concluded that there are many possibilities of using various classes of model materials to study crystal growth processes under high gravity conditions.

  4. Cardiorespiratory measurements during field tests in CF: use of an ambulatory monitoring system.

    Science.gov (United States)

    Bradley, Judy M; Kent, Lisa; O'Neill, Brenda; Nevill, Alan; Boyle, Lesley; Elborn, J Stuart

    2011-03-01

    Respiratory inductive plethysmography (e.g., LifeShirt) may offer in-depth study of the cardiorespiratory responses during field exercise tests. The aims of this study were to assess the reliability, discriminate validity, and responsiveness of cardiorespiratory measurements recorded by the LifeShirt during field exercise tests in adults with CF. To assess reliability and discriminate validity, participants with CF and stable lung disease and healthy participants performed the 6-Minute Walk Test (6MWT) and Modified Shuttle Test (MST) on two occasions. To assess responsiveness, participants with CF experiencing an exacerbation performed the 6MWT at the start and end of an admission for intravenous antibiotics. The LifeShirt was worn during all exercise tests. Reliability and discriminate validity were assessed in 18 participants with CF (mean (SD) age: 26 (10) years; FEV1 %predicted: 69.2 (23)%) and 18 healthy participants (age: 24 (5) years, FEV1 % predicted: 92 (8)%). There was no difference in 6MWT and MST performance between days and reliability of cardiorespiratory measures was acceptable (bias: P > 0.05; CV  0.05; CV tests in adults with CF. Reliability and discriminate validity of key cardiorespiratory measurements recorded by the LifeShirt were demonstrated. Some information on responsiveness is reported.

  5. Effect of the electric field on the primary scintillation from CF{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Morozov, A., E-mail: andrei@coimbra.lip.p [LIP-Coimbra and Departamento de Fisica, Universidade de Coimbra, 3004-516 Coimbra (Portugal); Fraga, M.M.F.R.; Pereira, L. [LIP-Coimbra and Departamento de Fisica, Universidade de Coimbra, 3004-516 Coimbra (Portugal); Margato, L.M.S. [LIP-Coimbra and Departamento de Fisica, Universidade de Coimbra, 3004-516 Coimbra (Portugal); Institut Laue Langevin, 6 rue Jules Horowitz, 38042 Grenoble (France); Fetal, S.T.G. [LIP-Coimbra and Departamento de Fisica, Universidade de Coimbra, 3004-516 Coimbra (Portugal); Guerard, B.; Manzin, G. [Institut Laue Langevin, 6 rue Jules Horowitz, 38042 Grenoble (France); Fraga, F.A.F. [LIP-Coimbra and Departamento de Fisica, Universidade de Coimbra, 3004-516 Coimbra (Portugal)

    2011-02-01

    The effect of an electric field on the primary scintillation from CF{sub 4} in the ultraviolet and visible wavelength regions (200-800 nm) is reported. The study was performed in the pressure range from 1 to 5 bar and at electric fields of up to 2 kV/cm. Photon emission spectra, fully corrected for the detection response, and the absolute photon yields in the ultraviolet and visible regions are reported. The CF{sub 4} emission spectra and the photon fluxes show no variations with the field at low pressures ({approx}1bar), while at higher pressures the effect of the field on the scintillation is strong: the ultraviolet emission intensity increases and the visible intensity decreases with the field strength. Time spectra of the primary scintillation for several applied electric field strengths are also reported for the two wavelength regions of light emission.

  6. Infrared spectra of CF(2)=CHD and CF(2)=CD(2): scaled quantum-chemical force fields and an equilibrium structure for 1,1-difluoroethylene.

    Science.gov (United States)

    McKean, Donald C; Law, Mark M; Groner, Peter; Conrad, Andrew R; Tubergen, Michael J; Feller, David; Moore, Michael C; Craig, Norman C

    2010-09-02

    Infrared (IR) spectra in the gas phase are reported for CF(2)=CHD and CF(2)=CD(2) in the region 350-4000 cm(-1). Ab initio calculations of an harmonic force-field and anharmonicity constants have been made with an MP2/aug-cc-pVTZ model. These enable a number of Fermi resonances in each species to be analyzed and a complete set of "observed" harmonic frequencies to be derived. The latter are combined with similar data for CF(2)=CH(2) in a scaling of the model harmonic force field to both anharmonic and harmonic frequencies. Inspection of the scale factors reveals minor defects of the model, evident in the out-of-plane wagging modes and in the CF stretch/CF stretch interaction force constant. Fermi resonance treatments involved in all isotopomers studied are compatible with the overall force-field refinement results. The treatment leaves a small anomaly in the (13)C shift on nu(1). Improved microwave spectra are reported for five isotopic species, and a semiexperimental equilibrium structure for F(2)C=CH(2) is determined and compared favorably with the structure obtained from new high-level ab initio calculations. Centrifugal distortion constants are predicted for the five isotopic species, and those for F(2)C=CH(2) are compared with values fit to microwave spectra.

  7. Validation of IRDFF in 252Cf Standard and IRDF-2002 Reference Neutron Fields

    Directory of Open Access Journals (Sweden)

    Simakov Stanislav

    2016-01-01

    Full Text Available The results of validation of the latest release of International Reactor Dosimetry and Fusion File, IRDFF-1.03, in the standard 252Cf(s.f. and reference 235U(nth,f neutron benchmark fields are presented. The spectrum-averaged cross sections were shown to confirm IRDFF-1.03 in the 252Cf standard spontaneous fission spectrum; that was not the case for the current recommended spectra for 235U(nth,f. IRDFF was also validated in the spectra of the research reactor facilities ISNF, Sigma-Sigma and YAYOI, which are available in the IRDF-2002 collection. The ISNF facility was re-simulated to remove unphysical oscillations in the spectrum. IRDFF-1.03 was shown to reproduce reasonably well the spectrum-averaged data measured in these fields except for the case of YAYOI.

  8. Magnetism of Rare-Earth Compounds with Non-Magnetic Crystal-Field Ground Levels

    Institute of Scientific and Technical Information of China (English)

    LIU Zhao-Sen

    2007-01-01

    @@ Among rare-earth compounds, there are many materials having non-magnetic crystal-field (CF) ground levels.To understand their magnetic behaviour at low temperatures, we study the effects of the CF levels and the Heisenberg-like coupling on the magnetic process of such a crystalline with mean-field and CF theory. It is found that the material can be magnetically ordered if the Heisenberg exchange is sufficiently strong. Additionally we obtain a condition for initial magnetic ordering, and derive a formula for estimating the Curie temperature if the ordering occurs.

  9. Field Continuous Measurement of Dissolved Gases with a CF-MIMS: Applications to the Physics and Biogeochemistry of Groundwater Flow.

    Science.gov (United States)

    Chatton, Eliot; Labasque, Thierry; de La Bernardie, Jérôme; Guihéneuf, Nicolas; Bour, Olivier; Aquilina, Luc

    2017-01-17

    In the perspective of a temporal and spatial exploration of aquatic environments (surface and groundwater), we developed a technique for field continuous measurements of dissolved gases with a precision better than 1% for N2, O2, CO2, He, Ar, 2% for Kr, 8% for Xe, and 3% for CH4, N2O and Ne. With a large resolution (from 1 × 10(-9) to 1 × 10(-2) ccSTP/g) and a capability of high frequency analysis (1 measure every 2 s), the CF-MIMS (Continuous Flow Membrane Inlet Mass Spectrometer) is an innovative tool allowing the investigation of a large panel of hydrological and biogeochemical processes in aquatic systems. Based on the available MIMS technology, this study introduces the development of the CF-MIMS (conception for field experiments, membrane choices, ionization) and an original calibration procedure allowing the quantification of mass spectral overlaps and temperature effects on membrane permeability. This study also presents two field applications of the CF-MIMS involving the well-logging of dissolved gases and the implementation of groundwater tracer tests with dissolved (4)He. The results demonstrate the analytical capabilities of the CF-MIMS in the field. Therefore, the CF-MIMS is a valuable tool for the field characterization of biogeochemical reactivity, aquifer transport properties, groundwater recharge, groundwater residence time and aquifer-river exchanges from few hours to several weeks experiments.

  10. Crystal structures of the trifluoromethyl sulfonates M(SO3CF3)2 (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data.

    Science.gov (United States)

    Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin

    2006-06-01

    The crystal structures of divalent metal salts of trifluoromethyl sulfonic acid ("trifluoromethyl sulfonates") M(SO(3)CF(3))(2) (M = Mg, Ca, Ba, Zn, Cu) were determined from high-resolution X-ray powder diffraction data. Magnesium, calcium and zinc trifluoromethyl sulfonate crystallize in the rhombohedral space group R(bar)3. Barium trifluoromethyl sulfonate crystallizes in the monoclinic space group I2/a(C2/c) and copper trifluoromethyl sulfonate crystallizes in the triclinic group P(bar)1. Within the crystal structures the trifluoromethyl sulfonate anions are arranged in double layers with the apolar CF(3) groups pointing towards each other. The cations are located next to the SO(3) groups. The symmetry relations between the different crystal structures have been analysed.

  11. Crystal Structures of the Trifluoromethyl Sulfonates M(SO3CF3)2 (M = Mg, Ca, Ba, Zn, Cu) from Synchrotron X-ray Powder Diffraction Data

    Energy Technology Data Exchange (ETDEWEB)

    Dinnebier,R.; Sofina, N.; Hildebrandt, L.; Jansen, M.

    2006-01-01

    The crystal structures of divalent metal salts of trifluoromethyl sulfonic acid ('trifluoromethyl sulfonates') M(SO{sub 3}CF{sub 3}){sub 2} (M = Mg, Ca, Ba, Zn, Cu) were determined from high-resolution X-ray powder diffraction data. Magnesium, calcium and zinc trifluoromethyl sulfonate crystallize in the rhombohedral space group R{bar 3}. Barium trifluoromethyl sulfonate crystallizes in the monoclinic space group I2/a(C2/c) and copper trifluoromethyl sulfonate crystallizes in the triclinic group P{bar 1}. Within the crystal structures the trifluoromethyl sulfonate anions are arranged in double layers with the apolar CF{sub 3} groups pointing towards each other. The cations are located next to the SO{sub 3} groups. The symmetry relations between the different crystal structures have been analyzed.

  12. Raman spectrum of plutonium dioxide: Vibrational and crystal field modes

    Science.gov (United States)

    Naji, M.; Magnani, N.; Bonales, L. J.; Mastromarino, S.; Colle, J.-Y.; Cobos, J.; Manara, D.

    2017-03-01

    The Raman spectrum of plutonium dioxide is studied both experimentally and theoretically. Particular attention has been devoted to the identification of high-energy modes at 2110 and 2620 c m-1 , whose attribution has so far been controversial. The temperature dependence of both modes suggests an electronic origin for them. Original crystal field (CF) calculations reported in this work show that these two modes can be respectively assigned to the Γ1→Γ5 and Γ1→Γ3 CF transitions within the I54 manifold. These two modes, together with the only vibrational line foreseen by the group theory for the F m -3 m Pu O2 symmetry—the T2 gPu -O stretching mode observed at 478 c m-1 —can thus be used as a Raman fingerprint of fcc plutonium dioxide.

  13. The effective crystal field potential

    CERN Document Server

    Mulak, J

    2000-01-01

    As it results from the very nature of things, the spherical symmetry of the surrounding of a site in a crystal lattice or an atom in a molecule can never occur. Therefore, the eigenfunctions and eigenvalues of any bound ion or atom have to differ from those of spherically symmetric respective free ions. In this way, the most simplified concept of the crystal field effect or ligand field effect in the case of individual molecules can be introduced. The conventional notion of the crystal field potential is narrowed to its non-spherical part only through ignoring the dominating spherical part which produces only a uniform energy shift of gravity centres of the free ion terms. It is well understood that the non-spherical part of the effective potential "seen" by open-shell electrons localized on a metal ion plays an essential role in most observed properties. Light adsorption, electron paramagnetic resonance, inelastic neutron scattering and basic characteristics derived from magnetic and thermal measurements, ar...

  14. Crystal Structure and Ionic Conductivity of Three Polymorphic Phases of Rubidium Trefluoromethyl Sulfonate, RbSO3CF3

    Energy Technology Data Exchange (ETDEWEB)

    Hildebrandt,L.; Dinnebier, R.; Jansen, M.

    2006-01-01

    The crystal structures of three polymorphic phases of rubidium trifluoromethyl sulfonate (RbSO{sub 3}CF{sub 3}, rubidium 'triflate') were solved from X-ray powder diffraction data. At room temperature, rubidium triflate crystallizes in the monoclinic space group Cm with lattice parameters of a = 19.9611(5) Angstroms, b = 23.4913(7) Angstroms, c = 5.1514(2) Angstroms, = 102.758(2); Z = 16. At T = 321 K, a first-order phase transition occurs toward a monoclinic phase in space group P2{sub 1} with lattice parameters at T = 344 K of a = 10.3434(5) Angstroms, b = 5.8283(3) Angstroms, c = 5.1982(3) Angstroms, = 104.278(6); Z = (2). At T = 461 K, another phase transition, this time of second order, occurs toward an orthorhombic phase in space group Cmcm with lattice parameters at T = 510 K of a = 5.3069(2) Angstroms, b = 20.2423(10) Angstroms, c = 5.9479(2) Angstroms; Z = 4. As a common feature within all three crystal structures of rubidium triflate, the triflate anions are arranged in double layers with the lipophilic CF{sub 3} groups facing each other. The rubidium ions are located between the SO{sub 3} groups. The general packing is similar to the packing in cesium triflate. Rubidium triflate can be classified as a solid electrolyte with a specific ionic conductivity of = 9.89 x 10{sup -9} S/cm at T = 384 K and = 3.84 x 10{sup -6} S/cm at T = 481 K.

  15. Crystal structure and ionic conductivity of three polymorphic phases of rubidium trifluoromethyl sulfonate, RbSO3CF3.

    Science.gov (United States)

    Hildebrandt, Lars; Dinnebier, Robert; Jansen, Martin

    2006-04-17

    The crystal structures of three polymorphic phases of rubidium trifluoromethyl sulfonate (RbSO3CF3, rubidium 'triflate') were solved from X-ray powder diffraction data. At room temperature, rubidium triflate crystallizes in the monoclinic space group Cm with lattice parameters of a = 19.9611(5) A, b = 23.4913(7) A, c = 5.1514(2) A, beta = 102.758(2) degrees; Z = 16. At T = 321 K, a first-order phase transition occurs toward a monoclinic phase in space group P2(1) with lattice parameters at T = 344 K of a = 10.3434(5) A, b = 5.8283(3) A, c = 5.1982(3) A, beta = 104.278(6) degrees; Z = 2). At T = 461 K, another phase transition, this time of second order, occurs toward an orthorhombic phase in space group Cmcm with lattice parameters at T = 510 K of a = 5.3069(2) A, b = 20.2423(10) A, c = 5.9479(2) A; Z = 4. As a common feature within all three crystal structures of rubidium triflate, the triflate anions are arranged in double layers with the lipophilic CF3 groups facing each other. The rubidium ions are located between the SO3 groups. The general packing is similar to the packing in cesium triflate. Rubidium triflate can be classified as a solid electrolyte with a specific ionic conductivity of sigma = 9.89 x 10(-9) S/cm at T = 384 K and sigma = 3.84 x 10(-6) S/cm at T = 481 K.

  16. Field continuous measurement of dissolved gases with a CF-MIMS: Applications to the physics and biogeochemistry of groundwater flow

    Science.gov (United States)

    Chatton, Eliot; Labasque, Thierry; de La Bernardie, Jérôme; Guihéneuf, Nicolas; Bour, Olivier; Aquilina, Luc

    2017-04-01

    In the perspective of a temporal and spatial exploration of aquatic environments (surface and ground water), we developed a technique for precise field continuous measurements of dissolved gases (N2, O2, CO2, CH4, N2O, H2, He, Ne, Ar, Kr, Xe). With a large resolution (from 1×10-9 to 1×10-2 ccSTP/g) and a capability of high frequency analysis (1 measure every 2 seconds), the CF-MIMS (Continuous Flow Membrane Inlet Mass Spectrometer) is an innovative tool allowing the investigation of a large panel of hydrological and biogeochemical processes in aquatic systems. Based on the available MIMS technology, this study introduces the development of the CF-MIMS (conception for field experiments, membrane choices, ionisation) and an original calibration procedure allowing the quantification of mass spectral overlaps and temperature effects on membrane permeability. This study also presents two field applications of the CF-MIMS (Chatton et al, 2016) involving the well-logging of dissolved gases and the implementation of groundwater tracer tests with dissolved 4He. The results demonstrate the analytical capabilities of the CF-MIMS in the field. Therefore, the CF-MIMS is a valuable tool for the field characterisation of biogeochemical reactivity, aquifer transport properties, groundwater recharge, groundwater residence time and aquifer-river exchanges from few hours to several weeks experiments. Eliot Chatton, Thierry Labasque, Jérôme de La Bernardie, Nicolas Guihéneuf, Olivier Bour and Luc Aquilina; Field Continuous Measurement of Dissolved Gases with a CF-MIMS: Applications to the Physics and Biogeochemistry of Groundwater Flow; Environmental Science & Technology, in press, 2016.

  17. Reduced Magneto-Resistivity of a Rare-Earth Crystalline and the Degeneracy Removals of Its Crystal-Field Levels

    Institute of Scientific and Technical Information of China (English)

    LIU Zhao-Sen

    2007-01-01

    A theoretical approach is generalized and employed to calculate the magneto-resistivity of a rare-earth crystalline (CeAl2) with degenerate ground crystal-field (CF) level in the presence of external fields. The calculated results show that when a magnetic field is applied in the c-direction, the magneto-resistivity may be reduced by more than 90% in certain cases in comparison with the pure CF contribution at the same temperature, demonstrating the strong effects of the degeneracy removals of the CF levels on the magnetic resistivity.

  18. Neutron calibration field of bare {sup 252}Cf source in Vietnam

    Energy Technology Data Exchange (ETDEWEB)

    Le, Ngoc Thiem; Tran, Hoai Nam; Nguyen, Khai Tuan [Institute for Nuclear Science and Technology, Hanoi (Viet Nam); Trinh, Glap Van [Institute of Research and Development, Duy Tan University, Da Nang (Viet Nam)

    2017-02-15

    This paper presents the establishment and characterization of a neutron calibration field using a bare {sup 252}Cf source of low neutron source strength in Vietnam. The characterization of the field in terms of neutron flux spectra and neutron ambient dose equivalent rates were performed by Monte Carlo simulations using the MCNP5 code. The anisotropy effect of the source was also investigated. The neutron ambient dose equivalent rates at three reference distances of 75, 125, and 150 cm from the source were calculated and compared with the measurements using the Aloka TPS-451C neutron survey meters. The discrepancy between the calculated and measured values is found to be about 10%. To separate the scattered and the direct components from the total neutron flux spectra, an in-house shadow cone of 10% borated polyethylene was used. The shielding efficiency of the shadow cone was estimated using the MCNP5 code. The results confirmed that the shielding efficiency of the shadow cone is acceptable.

  19. Scaling of crystal field parameters between Pd 2REIn and Pd 2RESn

    Science.gov (United States)

    Babateen, M.; Neumann, K.-U.; Ziebeck, K. R. A.

    1995-02-01

    Experimentally it is found that crystal field (CF) parameters between the same rare earth compounds in the alloy series Pd 2REIn and Pd 2RESn (RE = rare earth element) exhibit scaling properties. A phenomenological model is put forward to explain this observation.

  20. Broken symmetry phase transition in solid p-H 2, o-D 2 and HD: crystal field effects

    Science.gov (United States)

    Freiman, Yu. A.; Hemley, R. J.; Jezowski, A.; Tretyak, S. M.

    1999-04-01

    We report the effect of the crystal field (CF) on the broken symmetry phase transition (BSP) in solid parahydrogen, orthodeuterium, and hydrogen deuteride. The CF was calculated taking into account a distortion from the ideal HCP structure. We find that, in addition to the molecular field generated by the coupling terms in the intermolecular potential, the Hamiltonian of the system contains a crystal-field term, originating from single-molecular terms in the intermolecular potential. Ignoring the CF is the main cause of the systematic underestimation of the transition pressure, characteristic of published theories of the BSP transition. The distortion of the lattice that gives rise to the negative CF in response to the applied pressure is in accord with the general Le Chatelier-Braun principle.

  1. Synthesis, crystal structure and magnetic properties of single-molecule magnet: [Mn4(CF3COO)4(hmp)6

    Institute of Scientific and Technical Information of China (English)

    Liyan NA; Guiling NING; Fengjie ZHANG; Bing WANG

    2008-01-01

    The preparation, X-ray structure and magnetic properties are presented for a new mixed-valence tetra-nuclear manganese complex that functions as a single-molecule magnet (SMM): [Mn4(CF3COO)4(hmp)6], where hmp is the anion of 2-(hydroxymethyl) pyridine and is a N,O bidentate chelate. The compound crystallizes in a monoclinic system, space group P21/C (No. 14) with unit cell parameters a = 13.663(3) (A), b = 14.705(3) (A), c = 14.734(3) (A), β = 98.51(3)°, V= 2927.6 (A)3 and Z = 2. The structure of the complex shows a novel coordination of the trifluoroacetate (TFA) anions, with one anion acting as a monodentate ligand while the second one coordinating through both oxygens to the same Mn center. Direct current magnetic susceptibility measurement in the 2-300 K temperature range supports a high-spin ground state. The presence of a frequency-dependent alternating current susceptibility signal indicates that the individual molecule is acting as magnet.

  2. Critical properties of mixed spin-1 and spin-5/2 with equal and unequal crystal fields

    Institute of Scientific and Technical Information of China (English)

    Ali Yigita; Erhan Albayrakb

    2012-01-01

    The effects of assuming equal or unequal crystal fields (CF) on the phase diagrams of a mixed spin-1 and spin-5/2 system are investigated in terms of the recursion relations on the Bethe lattice (BL).The equal CF case was considered for the coordination numbers q =3,4,and 6,while for q =3 the unequal CF case was also studied.It was found that for the equal CF case,the model exhibits second-order phase transitions and two compensation temperatures for all q,the reentrant behavior for q =4 and first-order phase transitions and tricritical point (TCP) for q =6.In the unequal CF case for q =3,the system yields first- and second-order phase transitions,TCP's,and three compensation temperatures.In addition,the TCP's in a very short range are classified as the stable and unstable ones depending on their free energies.

  3. Crystal fields and conduction electrons in praseodymium

    DEFF Research Database (Denmark)

    Clausen, K.N.; Aagaard Sørensen, S.; McEwen, K.A.

    1995-01-01

    The interactions between the crystal-field excitations, the phonons and the conduction electrons in Pr have been studied further. The low-energy satellites to the crystal-field excitations, which are believed to be associated with propagating paramagnon modes in the conduction-electron gas, appear...

  4. Calculation of crystal-field parameters for rare-earth noble metal alloys

    Energy Technology Data Exchange (ETDEWEB)

    Steinbeck, L. [MPG Research Group `Electron Systems`, Department of Physics, University of Technology, Mommsenstr. 13, D-01062, Dresden (Germany); Richter, M. [MPG Research Group `Electron Systems`, Department of Physics, University of Technology, Mommsenstr. 13, D-01062, Dresden (Germany); Eschrig, H. [MPG Research Group `Electron Systems`, Department of Physics, University of Technology, Mommsenstr. 13, D-01062, Dresden (Germany); Nitzsche, U. [MPG Research Group `Electron Systems`, Department of Physics, University of Technology, Mommsenstr. 13, D-01062, Dresden (Germany)

    1995-02-09

    The crystal-field (CF) parameters for 4f electrons of a series of rare-earth impurities in Ag and Au have been evaluated from first-principles density functional calculations of the charge distribution which are based on an optimized LCAO scheme. The localized 4f states are treated as `open core shell`. By including the self-interaction correction for the 4f states, artificial constraints on the 4f charge density employed in earlier density functional CF calculations are avoided. The calculated parameters are compared with recent neutron scattering data. ((orig.)).

  5. Calculation of crystal-field parameters for rare-earth noble metal alloys

    Science.gov (United States)

    Steinbeck, L.; Richter, M.; Eschrig, H.; Nitzsche, U.

    1995-02-01

    The crystal-field (CF) parameters for 4f electrons of a series of rare earth impurities in Ag and Au have been evaluated from first-principles density functional calculations of the charge distribution which are based on an optimized LCAO scheme. The localized 4f states are treated as 'open core shell'. By including the self-interaction correction for the 4f states, artificial constraints on the 4f charge density employed in earlier density functional CF calculations are avoided. The calculated parameters are compared with recent neutron scattering data.

  6. Crystal fields of porphyrins and phthalocyanines

    Science.gov (United States)

    Johnson, P. S.; Boukahil, I.; Himpsel, F. J.; Kennedy, C.; Jersett, N.; Cook, P. L.; Garcia-Lastra, J. M.

    2014-03-01

    Polarization-dependent X-ray absorption spectroscopy at the N 1s and metal 2p edges is combined with density functional and atomic multiplet calculations to determine the crystal field parameters 10Dq, Ds, and Dt of transition metal (Mn, Fe, Co, Ni) phthalocyanines and octaethylporphyrins. Octaethyl porphyrins are observed to lie flat on Si with native oxide, while phthalocyanines lie on edge. Strong polarization dependence is found at all edges, which facilitates a unique determination of the crystal field parameters. Crystal field values from PBE density functional calculations provide helpful starting values, which are refined by fitting atomic multiplet calculations to the data. Since the crystal field affects electron-hole separation in solar cells, the systematic set of crystal field parameters obtained here can be useful for optimizing dyes for solar cells.

  7. Crystal-field effects in fluoride crystals for optical refrigeration

    Energy Technology Data Exchange (ETDEWEB)

    Hehlen, Markus P [Los Alamos National Laboratory

    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. 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

  8. Coulomb crystals in the magnetic field

    CERN Document Server

    Baiko, D A

    2009-01-01

    The body-centered cubic Coulomb crystal of ions in the presence of a uniform magnetic field is studied using the rigid electron background approximation. The phonon mode spectra are calculated for a wide range of magnetic field strengths and for several orientations of the field in the crystal. The phonon spectra are used to calculate the phonon contribution to the crystal energy, entropy, specific heat, Debye-Waller factor of ions, and the rms ion displacements from the lattice nodes for a broad range of densities, temperatures, chemical compositions, and magnetic fields. Strong magnetic field dramatically alters the properties of quantum crystals. The phonon specific heat increases by many orders of magnitude. The ion displacements from their equilibrium positions become strongly anisotropic. The results can be relevant for dusty plasmas, ion plasmas in Penning traps, and especially for the crust of magnetars (neutron stars with superstrong magnetic fields $B \\gtrsim 10^{14}$ G). The effect of the magnetic ...

  9. Calculated crystal-field parameters for rare-earth impurities in noble metals

    Science.gov (United States)

    Steinbeck, Lutz; Richter, Manuel; Eschrig, Helmut; Nitzsche, Ulrike

    1994-06-01

    From first-principles density-functional calculations of the charge distribution the crystal-field (CF) parameters for 4f states of Er and Dy impurities in Ag and Au have been evaluated. The calculations are based on an optimized linear combination of atomic orbitals scheme, where the local-density approximation (LDA) is used for the conduction-electron states, while the localized rare-earth 4f states are treated as ``open core shell.'' As the 4f localization cannot be properly described within LDA, a self-interaction correction for the 4f states is included. In this way, any artificial constraints on the 4f charge density employed in earlier first-principles CF calculations are avoided. The calculated CF parameters agree well with recent neutron scattering data.

  10. Self-consistent density functional calculations of the crystal field levels in lanthanide and actinide dioxides

    Science.gov (United States)

    Zhou, Fei; Ozoliņš, Vidvuds

    2012-02-01

    Using a recently developed method combining a nonspherical self-interaction corrected LDA + U scheme and an on-site multibody Hamiltonian [Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.83.085106 83, 085106 (2011)], we calculate the crystal field parameters and crystal field (CF) excitation levels of f-element dioxides in the fluorite structure with fn electronic configurations, including n=1 (PaO2, PrO2), n=2 (UO2), n=3 (NpO2), and n=4 (PuO2). It is shown that good agreement with experimental data (within approximately 10-20 meV) can be obtained in all cases. The properties of the multielectron CF ground states are analyzed.

  11. Crystal Field Splittings of NdN

    DEFF Research Database (Denmark)

    Warming, E.; Bak, Poul Erik

    1975-01-01

    The crystal field levels of the Nd (J=9/2) ion in NdN have been determined by inelastic neutron scattering. The crystal field parameters obtained by a least-squares fit to the spectra at 80K are: B4=-0.042+or-0.002K and B6=-0.00042+or-0.00002K. This result contrasts with the point charge model used...

  12. Scaling of crystal field parameters between Pd{sub 2}REIn and Pd{sub 2}RESn

    Energy Technology Data Exchange (ETDEWEB)

    Babateen, M. [Department of Physics, Loughborough University of Technology, Loughborough, Leics. LE11 3TU (United Kingdom); Neumann, K.U. [Department of Physics, Loughborough University of Technology, Loughborough, Leics. LE11 3TU (United Kingdom); Ziebeck, K.R.A. [Department of Physics, Loughborough University of Technology, Loughborough, Leics. LE11 3TU (United Kingdom)

    1995-02-09

    Experimentally it is found that crystal field (CF) parameters between the same rare earth compounds in the alloy series Pd{sub 2}REIn and Pd{sub 2}RESn (RE=rare earth element) exhibit scaling properties. A phenomenological model is put forward to explain this observation. ((orig.)).

  13. EMR-related problems at the interface between the crystal field Hamiltonians and the zero-field splitting Hamiltonians

    Directory of Open Access Journals (Sweden)

    Rudowicz Czesław

    2015-07-01

    Full Text Available The interface between optical spectroscopy, electron magnetic resonance (EMR, and magnetism of transition ions forms the intricate web of interrelated notions. Major notions are the physical Hamiltonians, which include the crystal field (CF (or equivalently ligand field (LF Hamiltonians, and the effective spin Hamiltonians (SH, which include the zero-field splitting (ZFS Hamiltonians as well as to a certain extent also the notion of magnetic anisotropy (MA. Survey of recent literature has revealed that this interface, denoted CF (LF ↔ SH (ZFS, has become dangerously entangled over the years. The same notion is referred to by three names that are not synonymous: CF (LF, SH (ZFS, and MA. In view of the strong need for systematization of nomenclature aimed at bringing order to the multitude of different Hamiltonians and the associated quantities, we have embarked on this systematization. In this article, we do an overview of our efforts aimed at providing a deeper understanding of the major intricacies occurring at the CF (LF ↔ SH (ZFS interface with the focus on the EMR-related problems for transition ions.

  14. Effects of nitrogen supply on Pseudo-nitzschia calliantha and Pseudo-nitzschia cf. seriata: field and laboratory experiments.

    Science.gov (United States)

    Melliti Ben Garali, Sondes; Sahraoui, Inès; de la Iglesia, Pablo; Chalghaf, Mohamed; Diogène, Jorge; Ksouri, Jamel; Sakka Hlaili, Asma

    2016-08-01

    The effects of inorganic and organic nitrogen supply on the growth and domoic acid (DA) production of Pseudo-nitzschia cf. seriata and Pseudo-nitzschia calliantha from Bizerte Lagoon (SW Mediterranean Sea) were studied during field and laboratory experiments. Nitrogen enrichments (40 µM NO3 (-); 10 µM NH4 (+); 20 µM CH4N2O) and a control, with no added N, were carried out in separate carboys with seawater collected from Bizerte Lagoon. In the field experiments, all N-enrichments resulted in significant increases in chlorophyll a concentration, and maintained exponential growth until the end of the experiment. The initial diatom community was dominated by a bloom of P. cf. seriata (9.3 × 10(5) cells l(-1)). After 6 days of incubation, the abundance of P. cf. seriata was greatest in the urea addition (1.52 × 10(6) cells l(-1)), compared to the ammonium treatment (0.47 × 10(6) cells l(-1)), nitrate treatment (0.70 × 10(6) cells l(-1)) and control (0.36 × 10(6) cells l(-1)). The specific growth rates, calculated from increases in chlorophyll a and cell abundance, were statistically different across all treatments, with the highest in the urea and nitrate additions. Similar results were obtained from the laboratory experiments. These were carried out with P. calliantha isolated from Bizerte Lagoon and grown in f/2 medium enriched with 40 µM nitrate, 10 µM ammonium and 20 µM urea. The exponential growth rate was significantly faster for the cells cultured with urea (1.50 d(-1)) compared to the nitrate (0.90 d(-1)) and ammonium (0.80 d(-1)) treatments and the control (0.40 d(-1)). Analysis of DA, performed at the beginning and the end of the both experiments in all treatments, revealed very low concentrations (below the limit of quantification, 0.02- 1.310(-7) pg cell(-1), respectively).The field and laboratory experiments demonstrate that P.cf. seriata and P. calliantha are able to grow efficiently on the three forms of N, but with a

  15. Crystal-field analysis of Eu sup 3 sup + in Lu sub 2 O sub 3

    CERN Document Server

    Karbowiak, M; Hoelsae, J

    2003-01-01

    Low temperature (7 K) absorption spectra of polycrystalline sintered ceramic Lu sub 2 O sub 3 :Eu sup 3 sup + were recorded between 3950 and 50000 cm sup - sup 1. There are two different intrinsic Eu sup 3 sup + sites, C sub 2 and S sub 6 (C sub 3 sub i), in this host. A total of 105 crystal-field (CF) energy levels were assigned and fitted to a semiempirical Hamiltonian representing the combined free-ion (FI) and CF interactions for a 4f sup 6 ion in the C sub 2 symmetry site. 10 FI and 14 CF parameters were varied simultaneously in the least square adjustments yielding an rms deviation between the calculated and experimental levels of 15 cm sup - sup 1. The CF strength parameter, S, obtained from calculated B sub q sup k parameters is larger for Lu sub 2 O sub 3 when compared to the Y sub 2 O sub 3 host, which is in accordance with the smaller ionic radius of the Lu sup 3 sup + ion. The CF splittings of the sup 7 F sub 1 and sup 5 D sub 1 levels were also determined experimentally for the Eu sup 3 sup + ion...

  16. Theory of electrolyte crystallization in magnetic field

    DEFF Research Database (Denmark)

    Madsen, Hans Erik Lundager

    2007-01-01

    Crystallization from aqueous solution of a sparingly soluble electrolyte is accelerated by magnetic field if the crystalizing phase is a diamagnetic salt of a weak acid, and crystallization is from neutral or acid solution in ordinary (not heavy) water. Since the effect of Lorentz force...... is negligible, if not absent, the key property is likely to be the spin of protons which, by virtue of their half-integral spin, are fermions. An effect on crystal growth kinetics has been demonstrated, and the apparent effect on nucleation concerns the growth rate of nuclei. We are thus dealing with surface...... phenomena. The basis of the theory is a crystal model of a sparingly soluble salt with NaCl structure, where the ions are divalent, and the anion is a base. It is assumed that almost all the anions in the surface layer are protonized, and that an approaching metal ion pushes the proton away...

  17. Optical study of crystal-field excitation in (R)Ba{sub 2}Cu{sub 3}O{sub 7-{delta}} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Martin, A.A. [Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany); Inst. de Fisica ' ' Gleb Wataghin' ' , UNICAMP, Campinas-SP (Brazil); Cardona, M. [Max-Planck-Institut fuer Festkoerperforschung, Stuttgart (Germany); Jandl, S. [Sherbrooke Univ., PQ (Canada). Dept. de Physique; Nekvasil, V. [Inst. of Physics, Czech Academy of Sciences, Prague (Czech Republic); Wolf, T. [Forschungszentrum Karlsruhe GmbH Technik und Umwelt (Germany). Inst. fuer Technische Physik

    2000-07-01

    A large number of high-temperature superconductors (HTS) contain rare-earth (R) ions with 4f-electron multiplets which are split by the crystal field (CF) of the neighboring ligands and, in many cases, their energy differences are in the range of optical phonons. When these two excitations (phonons and CF) have the same symmetry and are close in energy they can couple to each other, leading to a doublet structure at low temperature. Since the R ions are located between the CuO{sub 2} superconducting planes, this crystal-field-phonon coupling can be used as a probe to investigate superconductivity related phenomena. In this paper, we discuss the coupling of phonons to CF excitations in (R)Ba{sub 2}Cu{sub 3}O{sub 7-{delta}} and demonstrate that Raman and infrared spectroscopy can be successfully used as a novel tool for CF studies in HTS, since they are not limited to low energy transfer and can be applied to study small single crystals. (orig.)

  18. Raman study of crystal-field excitations in Pr{sub 2}CuO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Jandl, S. [Centre de Recherche en Physique du Solide, Departement de Physique, Universite de Sherbrooke, Sherbrooke, Quebec, J1K2R1 (CANADA); Strach, T.; Ruf, T.; Cardona, M. [Max-Planck-Institut fuer Festkoerperforschung, Heisenbergstrasse 1, D-70569 Stuttgart (Germany); Nekvasil, V. [Institute of Physics, Czech Academy of Sciences, Cukrovarnicka 10, 162 00 Prague 6 (Czech Republic); Iliev, M. [Faculty of Physics, University of Sofia, BG-1126 Sofia (Bulgaria); Zhigunov, D.I.; Barilo, S.N.; Shiryaev, S.V. [Institute of Physics of Solids and Semiconductors, Academy Science Belarus, Tolstoi street 4, 220072 Minsk (Belarus)

    1997-09-01

    Raman measurements in a Pr{sub 2}CuO{sub 4} single crystal show structures related to nine crystal-field (CF) excitations. They correspond to transitions within the {sup 3}H{sub 4}, {sup 3}H{sub 5}, and {sup 3}H{sub 6} multiplets of Pr{sup 3+} ions in C{sub 4v} site symmetry. Satellites to these CF excitations are also observed and associated with the presence of an inequivalent Pr{sup 3+} site of lower symmetry. A set of CF parameters which describes the observed energy spectra is derived and compared to previous calculations. {copyright} {ital 1997} {ital The American Physical Society}

  19. Revealing the consequences and errors of substance arising from the inverse confusion between the crystal (ligand) field quantities and the zero-field splitting ones

    Energy Technology Data Exchange (ETDEWEB)

    Rudowicz, Czesław, E-mail: crudowicz@zut.edu.pl [Institute of Physics, West Pomeranian University of Technology, Al. Piastów 17, 70-310 Szczecin (Poland); Karbowiak, Mirosław [Faculty of Chemistry, University of Wrocław, ul. F. Joliot-Curie 14, 50-383 Wrocław (Poland)

    2015-01-01

    Survey of recent literature has revealed a doubly-worrying tendency concerning the treatment of the two distinct types of Hamiltonians, namely, the physical crystal field (CF), or equivalently ligand field (LF), Hamiltonians and the zero-field splitting (ZFS) Hamiltonians, which appear in the effective spin Hamiltonians (SH). The nature and properties of the CF (LF) Hamiltonians have been mixed up in various ways with those of the ZFS Hamiltonians. Such cases have been identified in a rapidly growing number of studies of the transition-ion based systems using electron magnetic resonance (EMR), optical spectroscopy, and magnetic measurements. These findings have far ranging implications since these Hamiltonians are cornerstones for interpretation of magnetic and spectroscopic properties of the single transition ions in various crystals or molecules as well as the exchange coupled systems (ECS) of transition ions, e.g. single molecule magnets (SMM) or single ion magnets (SIM). The seriousness of the consequences of such conceptual problems and related terminological confusions has reached a level that goes far beyond simple semantic issues or misleading keyword classifications of papers in journals and scientific databases. The prevailing confusion, denoted as the CF=ZFS confusion, pertains to the cases of labeling the true ZFS quantities as purportedly the CF (LF) quantities. Here we consider the inverse confusion between the CF (LF) quantities and the SH (ZFS) ones, denoted the ZFS=CF confusion, which consists in referring to the parameters (or Hamiltonians), which are the true CF (LF) quantities, as purportedly the ZFS (or SH) quantities. Specific cases of the ZFS=CF confusion identified in recent textbooks, reviews and papers, especially SMM- and SIM-related ones, are surveyed and the pertinent misconceptions are clarified. The serious consequences of the terminological confusions include misinterpretation of data from a wide range of experimental techniques and

  20. Crystal-field excitations in PrAl sub 3 and NdAl sub 3 at ambient and elevated pressure

    CERN Document Server

    Straessle, T; Rusz, J; Janssen, S; Juranyi, F; Sadykov, R; Furrer, A

    2003-01-01

    The crystal fields (CFs) of the binary rare-earth compounds PrAl sub 3 and NdAl sub 3 have been examined at ambient pressure by means of inelastic neutron scattering. The CF of the latter compound has also been measured under hydrostatic pressure (p = 0.84 GPa). The observed substantial changes of the CF under pressure are discussed within the framework of first-principles density functional theory calculations.

  1. Crystal fields in UO2 - revisited

    Energy Technology Data Exchange (ETDEWEB)

    Nakotte, Heinz [Los Alamos National Laboratory; Rajatram, R [NMSU/UNIV OF N.C.; Kern, S [COLORADO STATE UNIV; Mcqueeney, R J [AMES LAB; Lander, G H [EUROPEAN COMMISIONS, JRC; Robinson, R A [BRAGG INSTITUTE

    2009-01-01

    We performed inelastic neutron scattering (INS) in order to re-investigate the crystal-field ground state and the level splitting in UO{sub 2}. Previous INS studies on UO{sub 2} by Amorelli et al. [Physical Review B 15, 1989, 1856] uncovered four excitations at low temperatures in the 150-180 meV range. Considering the dipole-allowed transitions, only three of these transitions could be explained by the published crystal-field model. Our INS results on a different UO{sub 2} sample revealed that the unaccounted peak at about 180 meV is a spurious one, and thus not intrinsic to UO{sub 2}. In good agreement with Amoretti's results, we corroborated that the ground-state of UO{sub 2} is the {Lambda}{sub 5} triplet, and we computed that the fourth- and six-order crystal field parameters are V{sub 4} = -116 meV and V{sub 6} = 26 meV, respectively. We also studied the INS response of the non-magnetic U{sub 0.4}Th{sub 0.6}O{sub 2}. The splitting for this thorium-doped compound is similar to the one of UO{sub 2}, which orders antiferromagnetically at low temperatures. Therefore, we can conclude that magnetic interactions only weakly perturb the energy level splitting, which is dominated by strong crystal fields.

  2. High Field Magnetization of Tb Single Crystals

    DEFF Research Database (Denmark)

    Roeland, L. W.; Cock, G. J.; Lindgård, Per-Anker

    1975-01-01

    The magnetization of Tb single crystals was measured in magnetic fields to 34T along the hard direction at temperature of 1.8, 4.2, 65.5 and 77K, and along with easy direction at 4.2 and 77K. The data are compared with the results of a self-consistent spin wave calculation using a phenomenological...

  3. Mean-field models for disordered crystals

    CERN Document Server

    Cancès, Eric; Lewin, Mathieu

    2012-01-01

    In this article, we set up a functional setting for mean-field electronic structure models of Hartree-Fock or Kohn-Sham types for disordered crystals. The electrons are quantum particles and the nuclei are classical point-like articles whose positions and charges are random. We prove the existence of a minimizer of the energy per unit volume and the uniqueness of the ground state density of such disordered crystals, for the reduced Hartree-Fock model (rHF). We consider both (short-range) Yukawa and (long-range) Coulomb interactions. In the former case, we prove in addition that the rHF ground state density matrix satisfies a self-consistent equation, and that our model for disordered crystals is the thermodynamic limit of the supercell model.

  4. Coupling between crystal field transitions and phonons in the 4f-electron system CeCu 2

    Science.gov (United States)

    Schedler, R.; Witte, U.; Loewenhaupt, M.; Kulda, J.

    2003-07-01

    In general, elementary excitations like phonons and crystal field (CF) transitions are considered decoupled and the determination and interpretation of the measured spectra of both phenomena, i.e. the phonon dispersion relations and the CF level schemes are made independently of each other. A signature of a strong coupling between both phenomena is the observation of an unusual behaviour in both subsystems. In this paper, we present inelastic neutron scattering results on the rare earth compound CeCu 2. This substance shows a orthorhombic CeCu 2 structure with 18 phonon modes and a splitting of the J= {5}/{2} ground state multiplet of the Ce 3+ ions into 3 doublets. The assumption of a coupling between a CF transition connecting the two excited CF states and phonons was put forward from the results of inelastic neutron data on a polycrystalline sample. This assumption is now confirmed by inelastic neutron spectra on a single crystal showing unusual phonon energy shifts and line widths as well as a strong broadening of the CF excitations.

  5. Eighth-order phase-field-crystal model for two-dimensional crystallization

    OpenAIRE

    Jaatinen, A.; Ala-Nissila, T.

    2010-01-01

    We present a derivation of the recently proposed eighth order phase field crystal model [Jaatinen et al., Phys. Rev. E 80, 031602 (2009)] for the crystallization of a solid from an undercooled melt. The model is used to study the planar growth of a two dimensional hexagonal crystal, and the results are compared against similar results from dynamical density functional theory of Marconi and Tarazona, as well as other phase field crystal models. We find that among the phase field crystal models...

  6. Crystal-field study of magnetization and specific heat properties of frustrated pyrochlore Pr2Zr2O7

    Science.gov (United States)

    Alam, J.; Jana, Y. M.; Biswas, A. Ali

    2016-10-01

    The experimental results of temperature dependent dc magnetic susceptibility, field dependent isothermal magnetization, magnetic specific heat and entropy of the pyrochlore Pr2Zr2O7 are simulated and analyzed using appropriate D3d crystal-field (CF) and anisotropic molecular field tensors at Pr-sites in the self-consistent mean-field approach involving four magnetically non-equivalent rare-earth spins on the tetrahedral unit of the pyrochlore structure. CF level pattern and wave-functions of the ground 3H4 multiplet of the Pr3+ ions are obtained considering intermediate coupling between different Russell-Saunders terms of the 4f2 electronic configurations of Pr-ion and J-mixing effects. CF analysis shows that the CF ground-state of the Pr3+ ion in Pr2Zr2O7 is a well-isolated doublet, with significant admixtures of terms coming from |MJ=±4> and |MJ=±1>, and the Pr-spins are effectively Ising-like along the local axes. Magnetic specific heat in zero-field is simulated by considering a temperature dependence of the exchange splitting of the ground doublet.

  7. Temperature fields in a growing solar silicon crystal

    Directory of Open Access Journals (Sweden)

    Kondrik A. I.

    2012-06-01

    Full Text Available The optimal thermal terms for growing by Czochralski method Si single-crystals, suitable for making photoelectric energy converters, has been defined by the computer simulation method. Dependences of temperature fields character and crystallization front form on the diameter of the crystal, stage and speed of growing, and also on correlation between diameter and height of the crystal has been studied.

  8. Oxidation and crystal field effects in uranium

    Energy Technology Data Exchange (ETDEWEB)

    Tobin, J. G. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Booth, C. H. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Shuh, D. K. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); van der Laan, G. [Diamond Light Source, Didcot (United Kingdom); Sokaras, D. [Stanford Synchrotron Radiation Lightsource, Stanford, CA (United States); Weng, T. -C. [Stanford Synchrotron Radiation Lightsource, Stanford, CA (United States); Yu, S. W. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Bagus, P. S. [Univ. of North Texas, Denton, TX (United States); Tyliszczak, T. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Nordlund, D. [Stanford Synchrotron Radiation Lightsource, Stanford, CA (United States)

    2015-07-06

    An extensive investigation of oxidation in uranium has been pursued. This includes the utilization of soft x-ray absorption spectroscopy, hard x-ray absorption near-edge structure, resonant (hard) x-ray emission spectroscopy, cluster calculations, and a branching ratio analysis founded on atomic theory. The samples utilized were uranium dioxide (UO2), uranium trioxide (UO3), and uranium tetrafluoride (UF4). As a result, a discussion of the role of non-spherical perturbations, i.e., crystal or ligand field effects, will be presented.

  9. Magnetic Field in Superlattices Semiconductors of Crystals

    Directory of Open Access Journals (Sweden)

    Luciano Nascimento

    2015-05-01

    Full Text Available In this work we present a study on the super-semiconductor networks, using the Kronig-Penney model for the effective mass approximation, and then the calculations for the application of the magnetic field perpendicular and parallel to the layers of super lattices crystals. The magnetic field applied parallel to the layers, was used to adjust the resonance of a higher energy subband of a well by thermal excitation with a lower energy subband of the adjacent well, increasing energy levels in its tunneling rate. We use the formalism of Schrödinger equation of quantum mechanics. Introducing the calculations in a systematic way in superlattices for each semiconductor quantum well to assess their energy spectrum systematically studied.

  10. Field and Laboratory Observations on Predation and Prey Selectivity of the Scyphomedusa Chrysaora cf.caliparea in Southeast Indian Waters

    Institute of Scientific and Technical Information of China (English)

    Govindan Kanagaraj; Pazhaniyappan Ezhilarasan; Pitchai Sampathkumar; André C. Morandini; Velayudhan pillai Sivakumar

    2011-01-01

    Chrysaora cf. caliparea, one of the most abundant medusae species in India, seems to be an important predator in the coastal waters of Bay of Bengal. The ability of Chrysaora cf. caliparea to feed at maximum rate in high prey concentrations implies that this jellyfish can efficiently exploit dense prey patches, at least for a short period. This study presents preliminary information regarding digestion and feeding rate upon copepods in a warm water environment. The ingestion rate of the average-sized medusae Chrysaora cf. caliparea is well balanced in nature, which in turn implies that this jellyfish is tuned for optimal utilization of available prey resources. Comparison with earlier research indicates that prey escape speed is one important factor governing which prey will be captured. A full understanding of predation mechanics awaits further investigation of both predator and prey behavior. However, because of the scarcity of long-term quantitative population data most insights have to be made indirectly. Nevertheless, low abundance of Chrysaora cf. caliparea in the water column during summer (May 2007) and the overall annual abundance seem not to considerably affect the zooplankton population, especially copepods. The present work contributes to the knowledge of prey-predator relationship of the forgotten fauna in Indian waters, which is especially crucial for understanding the process of ecological recovery of coastal water environment.

  11. Field-dependent specific heat study of the spin-Peierls transition in TTF- AuS4C4(CF3)4 a)

    Science.gov (United States)

    Northby, J. A.; Greidanus, F. J. A. M.; Huiskamp, W. J.; de Jongh, L. J.; Jacobs, I. S.; Interrante, L. V.

    1982-11-01

    The compound TTF-AuS4C4(CF3)4 is one of the very few existing examples of the spin-Peierls transition, in which a system of 1D antiferromagnetic chains dimerizes spontaneously as a consequence of magnetoelastic coupling with the surrounding lattice. We have studied the spectific heat anomaly accompanying the SP transition for this compound as a function of an applied magnetic field. Our H=0 data differ considerably from those obtained earlier by Wei et al., and in fact remove the discrepancy found by them between their results for TTF-AuS4C4(CF3)4 and the isomorphous TTF-CuS4C4(CF3)4. The differences between the two experiments are probably due to thermal relaxation effects. The combination of the specific heat data now available confirms the conclusion drawn from our previous field-dependent differential susceptibility studies on the Au compound, namely that the SP transition involves a considerable degree of short-range order, starting to develop below T=1.2 Tsp. We have been able to follow the specific heat anomaly for fields up to the multicritical point in the H-T phase diagram.

  12. Eighth-order phase-field-crystal model for two-dimensional crystallization

    OpenAIRE

    Jaatinen, A.; Ala-Nissilä, Tapio

    2010-01-01

    We present a derivation of the recently proposed eighth-order phase-field crystal model [A. Jaatinen et al., Phys. Rev. E 80, 031602 (2009)] for the crystallization of a solid from an undercooled melt. The model is used to study the planar growth of a two-dimensional hexagonal crystal, and the results are compared against similar results from dynamical density functional theory of Marconi and Tarazona, as well as other phase-field crystal models. We find that among the phase-field crystal mod...

  13. Breakdown Electric Field of Hot 30% CF3I/CO2 Mixtures at Temperature of 300-3500 K During Arc Extinction Process

    Science.gov (United States)

    Zhao, Xiaoling; Jiao, Juntao; Xiao, Dengming

    2016-11-01

    We calculated the uniform dielectric breakdown field strength of residual 30% CF3I/CO2 gas mixtures during the arc extinction process over the temperature range 300-3500 K at 0.1 MPa. The limiting reduced field strengths are decided by a balance of electron generation and loss based on chemical reactions estimated by the electron energy distribution function (EEDF), which employs the Boltzmann equation method with two-term expanding approximation in the steady-state Townsend (SST) condition. During the insulation recovery phase, the hot CF3I/CO2 gas mixtures have maximum dielectric strength at a temperature of about 1500 K. At room temperature 300 K, the electric strength after arc extinction (90.3 Td, 1 Td=10-21 V·m2) is only 38% of the original value before arc (234.9 Td). The adverse insulation recovery ability of CF3I/CO2 gas mixtures in arc extinction hinders its application in electric circuit breakers and other switchgears as an arc quenching and insulating medium. supported by National Natural Science Foundation of China (No. 10875093)

  14. Magnetism and crystal field in TmCu sub 2

    Energy Technology Data Exchange (ETDEWEB)

    Sima, V.; Smetana, Z.; Divis, M.; Svoboda, P.; Zajac, S. (Karlova Univ., Prague (CS)); Bischof, J.; (Vyzkummy Ustav Silmoproude Elektrotechniky, Bechovice (CS)); Lebech, B. (Risoe National Lab., Roskilde (DK)); Kayzel, F. (Amsterdam Univ. (NL). Natuurkundig Lab.)

    1988-12-01

    The crystal field energies and Gruneisen parameters of the individual crystal field levels of Tm{sup 3+} in TmCu{sub 2} were determined from specific heat and thermal expansion data above T{sub N}. The magnetic phase transitions are discussed with respect to magnetic entropy and molar volume.

  15. Chemical pressure effect in magnetic frustrated pyrochlore Nd2Pb2O7: A crystal-field analysis

    Science.gov (United States)

    Swarnakar, Debasish; Jana, Yatramohan; Alam, Jahangir; Nandi, Saikat

    2017-09-01

    Variation of chemical pressure at R-site due to substitution of nonmagnetic cation of varying size at the M-site makes a fine tuning between the crystal-field and molecular field to adopt exotic ground states in the frustrated magnetic R2M2O7 pyrochlore structures. Presence 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-sites which leads to a dramatic change in the crystal-field and molecular field at R-site. To explore the effect of chemical pressure, the experimental results of powder magnetic susceptibility and isothermal magnetization of a geometrically frustrated compound, Nd2Pb2O7 containing largest cation, e.g. lead (Pb), at M4+-sites are 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 4I9/2 of Nd3+-ions became the lowest among the isomorphic Nd-pyrochlore compounds, implying reduced effect of the crystal-field at Nd sites. Nd2Pb2O7 has strong [111] Ising anisotropy. Relative strength and values of the exchange tensor among nearest-neighbor Nd3+-spins in Nd2Pb2O7 and Nd2Zr2O7 result in a very close competition of anti-ferromagnetic and ferromagnetic interactions.

  16. Effects of magnetic fields on dissolution of arthritis causing crystals

    Science.gov (United States)

    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.

  17. Enhancement of crystal homogeneity of protein crystals under application of an external alternating current electric field

    Energy Technology Data Exchange (ETDEWEB)

    Koizumi, H.; Uda, S.; Fujiwara, K.; Nozawa, J. [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, 980-8577 (Japan); Tachibana, M. [Graduate School of Nanobioscience, Yokohama City University, 22-2 Seto, Kanazawa-ku, Yokohama, 236-0027 (Japan); Kojima, K. [Department of Education, Yokohama Soei University, 1 Miho-tyou, Midori-ku, Yokohama, 226-0015 (Japan)

    2014-10-06

    X-ray diffraction rocking-curve measurements were performed on tetragonal hen egg white (HEW) lysozyme crystals grown with and without the application of an external alternating current (AC) electric field. The crystal quality was assessed by the full width at half maximum (FWHM) value for each rocking curve. For two-dimensional maps of the FWHMs measured on the 440 and the 12 12 0 reflection, the crystal homogeneity was improved under application of an external electric field at 1 MHz, compared with that without. In particular, the significant improvement of the crystal homogeneity was observed for the 12 12 0 reflection.

  18. Effect of magnetic field on the crystallization of zinc sulfate

    Directory of Open Access Journals (Sweden)

    Freitas A. M. B.

    2000-01-01

    Full Text Available The effect of magnetic field on the crystallization of diamagnetic zinc sulfate was investigated in a series of controlled batch cooling experiments. Zinc sulfate solutions were exposed to magnetic fields of different intensities, up to a maximum of 0.7T. A clear influence of magnetic field on the following zinc sulfate crystallization parameters was found: an increase in saturation temperature, a decrease in metastable zone width, and an increase in growth rate and average crystal size. These effects were observed for the diamagnetic zinc sulfate, but not in similar, previously reported experiments for paramagnetic copper sulfate.

  19. Crystal-Field Engineering of Solid-State Laser Materials

    Science.gov (United States)

    Henderson, Brian; Bartram, Ralph H.

    2005-08-01

    This book examines the underlying science and design of laser materials. It emphasizes the principles of crystal-field engineering and discusses the basic physical concepts that determine laser gain and nonlinear frequency conversion in optical crystals. Henderson and Bartram develop the predictive capabilities of crystal-field engineering to show how modification of the symmetry and composition of optical centers can improve laser performance. They also discuss applications of the principles of crystal-field engineering to a variety of optical crystals in relation to the performances of laser devices. This book will be of considerable interest to physical, chemical and material scientists and to engineers involved in the science and technology of solid state lasers.

  20. On the interplay between heavy-fermion and soft crystal field excitations in Kondo lattices

    Energy Technology Data Exchange (ETDEWEB)

    Kagan, Yu.; Kikoin, K.A.; Mishchenko, A.S. [Rossijskij Nauchnyj Tsentr ``Kurchatovskij Inst.``, Moscow (Russian Federation)

    1997-06-13

    On the grounds of the microscopic theory of heavy-fermion spin-liquids a novel description of low-energy excitation spectra in CeNiSn and related compounds is offered. The anomalous properties of orthorhombic CeNiSn and related materials are explained by the interplay between the fermi-type spinon excitations with the energy scale T{sup *}{approx}T{sub K} and the one-site crystal field excitations with the energy {Delta}{sub CF}

  1. Eighth-order phase-field-crystal model for two-dimensional crystallization

    Science.gov (United States)

    Jaatinen, A.; Ala-Nissila, T.

    2010-12-01

    We present a derivation of the recently proposed eighth-order phase-field crystal model [A. Jaatinen , Phys. Rev. E 80, 031602 (2009)10.1103/PhysRevE.80.031602] for the crystallization of a solid from an undercooled melt. The model is used to study the planar growth of a two-dimensional hexagonal crystal, and the results are compared against similar results from dynamical density functional theory of Marconi and Tarazona, as well as other phase-field crystal models. We find that among the phase-field crystal models studied, the eighth-order fitting scheme gives results in good agreement with the density functional theory for both static and dynamic properties, suggesting it is an accurate and computationally efficient approximation to the density functional theory.

  2. Near-field probing of photonic crystals

    NARCIS (Netherlands)

    Flück, E.; Hammer, M.; Vos, W.L.; Hulst, van N.F.; Kuipers, L.

    2004-01-01

    Photonic crystals form an exciting new class of optical materials that can greatly affect optical propagation and light emission. As the relevant length scale is smaller than the wavelength of light, sub-wavelength detection forms an important ingredient to obtain full insight in the physical proper

  3. Goethite liquid crystals and magnetic field effects

    NARCIS (Netherlands)

    van den Pol, E

    2010-01-01

    In this thesis the liquid crystal phase behavior of colloidal, boardlike, goethite (alpha-FeOOH) particles is described. Apart from the nematic phase, a smectic A phase is formed in systems with a low and high polydispersity. Strong fractionation occurs which is able to reduce the local length polyd

  4. Crystal field effects in TmCu2 compound

    Science.gov (United States)

    Zajac, Š.; Šíma, V.; Smetana, Z.

    1987-01-01

    The splitting of the3H6 multiplet has been estimated for the Tm3+ ion in the crystal electric field of the orthorhombic TmCu2 compound. Using the energy levels and appropriate eigenfunctions the crystal field only susceptibility has been calculated along the principal orthorhombic axes at temperatures 10 to 300 K. The obtained results are compared with our measurements of specific heat and paramagnetic susceptibility on polycrystalline sample.

  5. A revised catalog of CfA galaxy groups in the Virgo/Great Attractor flow field

    Science.gov (United States)

    Nolthenius, Richard

    1993-01-01

    A new identification of groups and clusters in the CfAl Catalog of Huchra, et al. (1983) is presented, using a percolation algorithm to identify density enhancements. The procedure differs from that of the original Geller and Huchra (1983; GH) catalog in several important respects; galaxy distances are calculated from the Virgo-Great Attractor flow model of Faber and Burnstein (1988), the adopted distance linkage criteria is only approx. 1/4 as large as in the Geller and Huchra catalog, the sky link relation is taken from Nolthenius and White (1987), correction for interstellar extinction is included, and 'by-hand' adjustments to group memberships are made in the complex regions of Virgo/Coma I/Ursa Major and Coma/A1367 (to allow for varying group velocity dispersions and to trim unphysical 'spider arms'). Since flow model distances are poorly determined in these same regions, available distances from the IR Tully-Fisher planetary nebula luminosity function and surface brightness resolution methods are adopted if possible.

  6. Intermittent dislocation density fluctuations in crystal plasticity from a phase-field crystal model

    DEFF Research Database (Denmark)

    Tarp, Jens M.; Angheluta, Luiza; Mathiesen, Joachim;

    2014-01-01

    Plastic deformation mediated by collective dislocation dynamics is investigated in the two-dimensional phase-field crystal model of sheared single crystals. We find that intermittent fluctuations in the dislocation population number accompany bursts in the plastic strain-rate fluctuations. Disloc...

  7. Mapping individual electromagnetic field components inside a photonic crystal

    CERN Document Server

    Denis, T; Lee, J H H; van der Slot, P J M; Vos, W L; Boller, K -J

    2012-01-01

    We present a method to map the absolute electromagnetic field strength inside photonic crystals. We apply the method to map the electric field component Ez of a two-dimensional photonic crystal slab at microwave frequencies. The slab is placed between two mirrors to select Bloch standing waves and a subwavelength spherical scatterer is scanned inside the resulting resonator. The resonant Bloch frequencies shift depending on the electric field at the position of the scatterer. To map the electric field component Ez we measure the frequency shift in the reflection and transmission spectrum of the slab versus the scatterer position. Very good agreement is found between measurements and calculations without any adjustable parameters.

  8. Field renormalization in photonic crystal waveguides

    DEFF Research Database (Denmark)

    Colman, Pierre

    2015-01-01

    A novel strategy is introduced in order to include variations of the nonlinearity in the nonlinear Schro¨dinger equation. This technique, which relies on renormalization, is in particular well adapted to nanostructured optical systems where the nonlinearity exhibits large variations up to two...... Schro¨dinger equation is an occasion for physics-oriented considerations and unveils the potential of photonic crystal waveguides for the study of new nonlinear propagation phenomena....

  9. Field induced heliconical structure of cholesteric liquid crystal

    Science.gov (United States)

    Lavrentovich, Oleg D.; Shiyanovsii, Sergij V.; Xiang, Jie; Kim, Young-Ki

    2017-06-27

    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 the 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.

  10. Nucleation of lysozyme crystals under external electric and ultrasonic fields

    Science.gov (United States)

    Nanev, Christo N.; Penkova, Anita

    2001-11-01

    Preferred orientation along c-axis of hen-egg-white lysozyme (HEWL) crystals has been observed in an external electric field. Besides, the HEWL crystals grew predominantly on the cathode side of the glass cell. These facts were explained on the basis of a concept for specific spatial distribution of the positive electric charges on the individual HEWL molecules, and thus attributed to the (preferred) orientation of individual HEWL molecules in the solution, under these conditions. Ultrasonic field redoubles the nucleation rate of HEWL crystals, but does not change the number of building units in the critical nucleus. Taking into account the intermolecular binding energy, we conclude that ultrasonic field accelerates nucleation due to breaking of the protein crystals.

  11. Optical properties of 3d-ions in crystals spectroscopy and crystal field analysis

    CERN Document Server

    Brik, Mikhail

    2013-01-01

    "Optical Properties of 3d-Ions in Crystals: Spectroscopy and Crystal Field Analysis" discusses spectral, vibronic and magnetic properties of 3d-ions in a wide range of crystals, used as active media for solid state lasers and potential candidates for this role. Crystal field calculations (including first-principles calculations of energy levels and absorption spectra) and their comparison with experimental spectra, the Jahn-Teller effect, analysis of vibronic spectra, materials science applications are systematically presented. The book is intended for researchers and graduate students in crystal spectroscopy, materials science and optical applications. Dr. N.M. Avram is an Emeritus Professor at the Physics Department, West University of Timisoara, Romania; Dr. M.G. Brik is a Professor at the Institute of Physics, University of Tartu, Estonia.

  12. Mapping the absolute electromagnetic field strength of individual field components inside a photonic crystal

    NARCIS (Netherlands)

    Denis, T.; Reijnders, B.; Lee, J.H.H.; Vos, Willem L.; Boller, Klaus J.; van der Slot, Petrus J.M.

    2013-01-01

    We present a method to map the absolute electromagnetic field strength inside photonic crystals. We demonstrate our method by applying it to map the electric field component Ez of a two-dimensional photonic crystal slab at microwave frequencies. The slab is placed between two mirrors to create a

  13. Fiber field-effect device via in situ channel crystallization.

    Science.gov (United States)

    Danto, Sylvain; Sorin, Fabien; Orf, Nicholas D; Wang, Zheng; Speakman, Scott A; Joannopoulos, John D; Fink, Yoel

    2010-10-01

    The in situ crystallization of the incorporated amorphous semiconductor within the multimaterial fiber device yields a large decrease in defect density and a concomitant five-order-of-magnitude decrease in resistivity of the novel metal-insulator-crystalline semiconductor structure. Using a post-drawing crystallization process, the first tens-of-meters-long single-fiber field-effect device is demonstrated. This work opens significant opportunities for incorporating higher functionality in functional fibers and fabrics.

  14. Phase Field Modeling of Twinning in Indentation of Transparent Crystals

    Science.gov (United States)

    2011-09-01

    twin boundaries . Equilibrium configurations of deformed and twinned crystals are attained via direct energy minimization. The theory is framed in the...phases: (i) the original crystal (the parent) and (ii) the twin. Interfaces between phases are twin boundaries . Order parameter η generally exhibits the...following values: η(X, •) = 0∀X ∈ parent, = 1∀X ∈ twin, ∈ (0, 1)∀X ∈ twin boundaries . (1) In linear elasticity, kinematic field variables are

  15. Magnetic Fields and the Crystallization of White Dwarfs

    Science.gov (United States)

    Isern, J.; García-Berro, E.; Külebi, B.; Lorén-Aguilar, P.

    2017-03-01

    The evolution of white dwarfs can be described as a cooling process. When the temperature is low enough, the interior experiences a phase transition and crystallizes. Crystallization introduces two new sources of energy, latent heat and chemical sedimentation, and induces the formation of a convective mantle around the solid core. This structure, which is analogous to that of the Earth, could induce the formation of a magnetic field via dynamo mechanism. In this work we discuss the viability of such mechanism, and its use as a diagnostic tool of crystallization.

  16. Crystal field spectra of lunar pyroxenes.

    Science.gov (United States)

    Burns, R. G.; Abu-Eid, R. M.; Huggins, F. E.

    1972-01-01

    Absorption spectra in the visible and near infrared regions have been obtained for pyroxene single crystals in rocks from the Apollo 11, 12, 14, and 15 missions. The polarized spectra are compared with those obtained from terrestrial calcic clinopyroxenes, subcalcic augites, pigeonites, and orthopyroxenes. The lunar pyroxenes contain several broad, intense absorption bands in the near infrared, the positions of which are related to bulk composition, Fe(2+) site occupancy and structure type of the pyroxene. The visible spectra contain several sharp, weak peaks mainly due to spin-forbidden transitions in Fe(2+). Additional weak bands in this region in Apollo 11 pyroxenes are attributed to Ti(3+) ions. Spectral features from Fe(3+), Mn(2+), Cr(3+), and Cr(2+) were not observed.

  17. Magnetic Field Applications in Semiconductor Crystal Growth and Metallurgy

    Science.gov (United States)

    Mazuruk, Konstantin; Ramachandran, Narayanan; Grugel, Richard; Curreri, Peter A. (Technical Monitor)

    2002-01-01

    The Traveling Magnetic Field (TMF) technique, recently proposed to control meridional flow in electrically conducting melts, is reviewed. In particular, the natural convection damping capability of this technique has been numerically demonstrated with the implication of significantly improving crystal quality. Advantages of the traveling magnetic field, in comparison to the more mature rotating magnetic field method, are discussed. Finally, results of experiments with mixing metallic alloys in long ampoules using TMF is presented

  18. Correlation theory of crystal field and anisotropic exchange effects

    DEFF Research Database (Denmark)

    Lindgård, Per-Anker

    1985-01-01

    A general theory for including correlation effects in static and dynamic properties is presented in terms of Raccah or Stevens operators. It is explicitly developed for general crystal fields and anisotropic interactions and systems with several sublattices, like the rare earth compounds. The the......A general theory for including correlation effects in static and dynamic properties is presented in terms of Raccah or Stevens operators. It is explicitly developed for general crystal fields and anisotropic interactions and systems with several sublattices, like the rare earth compounds....... The theory gives explicitly a temperature dependent renormalization of both the crystal field and the interactions, and a damping of the excitations and in addition a central park component. The general theory is illustrated by a discussion of the singlet-doublet system. The correlation effects...... on the susceptibility, the first and second moment frequencies and the line shape are calculated self-consistently....

  19. Relaxation Dynamics of Ferroelectric Liquid Crystals in Pulsed Electric Field

    Science.gov (United States)

    Kudreyko, A. A.; Migranov, N. G.; Migranova, D. N.

    2016-11-01

    In this contribution we report a theoretical study of relaxation processes in surface-stabilized ferroelectric liquid crystals with spontaneous polarization. The influence of pulsed electric field on the behavior of ferroelectric liquid crystal in the SmC* phase, which is placed in a thin cell with strong anchoring of SmC* molecules with the boundary substrate, is studied. In the vicinity of the substrate interface, temporal dependence of the azimuthal motion of the director induced by electric field is obtained. The response to the external distortion of ferroelectric liquid crystal confined between two microstructured substrates is the occurrence of periodic temporal formation of solitons connected with the distortion of the director field n in the sample bulk. The interplay between microstructured substrates and director distribution of the ferroelectric SmC* phase is explained by the Frenkel-Kontorova model for a chain of atoms, but adapted for the continuum problem.

  20. Physical modelling of Czochralski crystal growth in horizontal magnetic field

    Science.gov (United States)

    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.

  1. CRYSTAL-FIELD AND TRANSVERSE-FIELD EFFECTS OF THE SPIN-ONE ISING MODEL

    Institute of Scientific and Technical Information of China (English)

    宋为基; 杨传章

    1993-01-01

    A mean-field approximation (MFA) is used to treat the crystal-field and transverse-field effects of the spin-1 Ising modle in the presence of longitudinal field. In spite of its simplicity, this scheme still gives the satisfied results.

  2. Organic single-crystal field-effect transistors

    Directory of Open Access Journals (Sweden)

    Colin Reese

    2007-03-01

    Full Text Available Organic molecular crystals hold great promise for the rational development of organic semiconductor materials. Their long-range order not only reveals the performance limits of organic materials, but also provides unique insight into their intrinsic transport properties. The field-effect transistor (FET has served as a versatile tool for electrical characterization of many facets of their performance. In the last few years, breakthroughs in single-crystal FET fabrication techniques have enabled the realization of field-effect mobilities far surpassing amorphous Si, observation of the Hall effect in an organic material, and the study of transport as an explicit function of molecular packing and chemical structure.

  3. Fine structure of fields in 2D photonic crystal waveguides

    DEFF Research Database (Denmark)

    Lavrinenko, Andrei; Volkov, V. S.; Bozhevolnyi, S. I.

    2006-01-01

    We resolve fine structure of fields in a single-row missing photonic crystal waveguide by finite-difference time-domain modelling and SNOM measurements. Both linear dispersion and slow-light regimes in proximity of the cutoff are addressed in the analysis.......We resolve fine structure of fields in a single-row missing photonic crystal waveguide by finite-difference time-domain modelling and SNOM measurements. Both linear dispersion and slow-light regimes in proximity of the cutoff are addressed in the analysis....

  4. Electromagnetic Field Effects in Semiconductor Crystal Growth

    Science.gov (United States)

    Dulikravich, George S.

    1996-01-01

    This proposed two-year research project was to involve development of an analytical model, a numerical algorithm for its integration, and a software for the analysis of a solidification process under the influence of electric and magnetic fields in microgravity. Due to the complexity of the analytical model that was developed and its boundary conditions, only a preliminary version of the numerical algorithm was developed while the development of the software package was not completed.

  5. Electromagnetic field patterning or crystal light

    Science.gov (United States)

    Słupski, Piotr; Wymysłowski, Artur; Czarczyński, Wojciech

    2016-12-01

    Using the orbital angular momentum of light for the development of a vortex interferometer, the underlying physics requires microwave/RF models,1 as well as quantum mechanics for light1, 2 and fluid flow for semiconductor devices.3, 4 The combination of the aforementioned physical models yields simulations and results such as optical lattices,1 or an Inverse Farday effect.5 The latter is explained as the absorption of optical angular momentum, generating extremely high instantenous magnetic fields due to radiation friction. An algorithmic reduction across the computational methods used in microwaves, lasers, quantum optics and holography is performed in order to explain electromagnetic field interactions in a single computational framework. This work presents a computational model for photon-electron interactions, being a simplified gauge theory described using differentials or disturbances (photons) instead of integrals or fields. The model is based on treating the Z-axis variables as a Laplace fluid with spatial harmonics, and the XY plane as Maxwell's equations on boundaries. The result is a unified, coherent, graphical computational method of describing the photon qualitatively, quantitatively and with proportion. The model relies on five variables and is described using two equations, which use emitted power, cavity wavelength, input frequency, phase and time. Phase is treated as a rotated physical dimension under gauge theory of Feynmann's QED. In essence, this model allows the electromagnetic field to be treated with it's specific crystallography. The model itself is described in Python programming language. PACS 42.50.Pq, 31.30.J-, 03.70.+k, 11.10.-z, 67.10.Hk

  6. Improving NASICON Sinterability through Crystallization under High Frequency Electrical Fields

    Directory of Open Access Journals (Sweden)

    Ilya eLisenker

    2016-03-01

    Full Text Available The effect of high frequency (HF electric fields on the crystallization and sintering rates of a lithium aluminum germanium phosphate (LAGP ion conducting ceramic was investigated. LAGP with the nominal composition Li1.5Al0.5Ge1.5(PO43 was crystallized and sintered, both conventionally and under effect of electrical field. Electrical field application, of 300V/cm at 1MHz, produced up to a 40% improvement in sintering rate of LAGP that was crystallized and sintered under the HF field. Heat sink effect of the electrodes appears to arrest thermal runaway and subsequent flash behavior. Sintered pellets were characterized using XRD, SEM, TEM and EIS to compare conventionally and field sintered processes. The as-sintered structure appears largely unaffected by the field as the sintering curves tend to converge beyond initial stages of sintering. Differences in densities and microstructure after 1 hour of sintering were minor with measured sintering strains of 31% vs. 26% with and without field, respectively . Ionic conductivity of the sintered pellets was evaluated and no deterioration due to the use of HF field was noted, though capacitance of grain boundaries due to secondary phases was significantly increased.

  7. Crystallization of Calcium Carbonate in a Large Scale Field Study

    Science.gov (United States)

    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

  8. Crystal Field Parameters and Phase Transitions in ErSb

    DEFF Research Database (Denmark)

    Shapiro, S. M.; Bak, P.

    1975-01-01

    The crystal field levels of the Er ion in a single crystal of ErSb have been measured by inelastic neutron scattering. The crystal field parameters obtained by a least squares fit to the spectra at several temperatures are: B4 = (0·473 ± 0·005) × 10−2°K and B6 = (0·59 ± 0·06) × 10−5°K, which differ...... considerably from the values o by interpolation from measurements on other compounds. In addition the temperature dependence of the magnetic scattering in the vicinity of the Néel temperature (TN = 3·55°K) clearly demonstrates that the transition is second order in contrast to the first order behavior...

  9. Tailor-made force fields for crystal-structure prediction.

    Science.gov (United States)

    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.

  10. Fine structure of fields in 2D photonic crystal waveguides

    DEFF Research Database (Denmark)

    Lavrinenko, Andrei; Volkov, V. S.; Bozhevolnyi, S. I.

    2006-01-01

    We resolve fine structure of fields in a single-row missing photonic crystal waveguide by finite-difference time-domain modelling and SNOM measurements. Both linear dispersion and slow-light regimes in proximity of the cutoff are addressed in the analysis....

  11. Control over colloidal crystallization by shear and electric fields

    NARCIS (Netherlands)

    Wu, Y.L.

    2007-01-01

    We used shear flow and an electric field to control colloidal crystallization. The structures were examined in situ with confocal microscopy. For experiments under shear, a new parallel plate shear cell was designed. It had a zero-velocity plane that was stationary with respect to the microscope. Th

  12. Density functional theory of the crystal field in dioxides

    Science.gov (United States)

    Diviš, M.; Kuriplach, J.; Richter, M.; Steinbeck, L.

    1996-04-01

    Presented are the results of ab-initio density functional calculations for PrO2 and UO2 using the general potential LAPW and optimized LCAO method in the local density approximation. The crystal field splitting of ionic Pr4+ and U4+ ground states was calculated and compared with predictions of a superposition model.

  13. Crystal orientation effects on wurtzite quantum well electromechanical fields

    DEFF Research Database (Denmark)

    Duggen, Lars; Willatzen, Morten

    2010-01-01

    A one-dimensional continuum model for calculating strain and electric field in wurtzite semiconductor heterostructures with arbitrary crystal orientation is presented and applied to GaN/AlGaN and ZnO/MgZnO heterostructure combinations. The model is self-consistent involving feedback couplings of ...

  14. Field-effect transistors on tetracene single crystals

    NARCIS (Netherlands)

    De Boer, R.W.I.; Klapwijk, T.M.; Morpurgo, A.F

    2003-01-01

    We report on the fabrication and electrical characterization of field-effect transistors at the surface of tetracene single crystals. We find that the mobility of these transistors reaches the room-temperature value of 0.4 cm2/V s. The nonmonotonous temperature dependence of the mobility, its weak g

  15. Phase field simulations of ice crystal growth in sugar solutions

    NARCIS (Netherlands)

    Sman, Van Der R.G.M.

    2016-01-01

    We present the first model ever, that describes explicitly ice crystal growth in a sugar solution during freezing. This 2-D model uses the phase field method, supplemented with realistic, and predictive theories on the thermodynamics and (diffusion) kinetics of this food system. We have to make u

  16. Magnetic properties and electronic structure of neptunyl(VI) complexes: wavefunctions, orbitals, and crystal-field models

    Energy Technology Data Exchange (ETDEWEB)

    Gendron, Frederic; Pritchard, Ben; Autschbach, Jochen [Department of Chemistry, University at Buffalo, State University of New York, Buffalo, NY (United States); Paez-Hernandez, Dayan; Bolvin, Helene [Laboratoire de Physique et de Chimie Quantiques, Universite Toulouse 3 (France); Notter, Francois-Paul [Laboratoire de Chimie Quantique, Universite de Strasbourg (France)

    2014-06-23

    The electronic structure and magnetic properties of neptunyl(VI), NpO{sub 2}{sup 2+}, and two neptunyl complexes, [NpO{sub 2}(NO{sub 3}){sub 3}]{sup -} and [NpO{sub 2}Cl{sub 4}]{sup 2-}, were studied with a combination of theoretical methods: ab initio relativistic wavefunction methods and density functional theory (DFT), as well as crystal-field (CF) models with parameters extracted from the ab initio calculations. Natural orbitals for electron density and spin magnetization from wavefunctions including spin-orbit coupling were employed to analyze the connection between the electronic structure and magnetic properties, and to link the results from CF models to the ab initio data. Free complex ions and systems embedded in a crystal environment were studied. Of prime interest were the electron paramagnetic resonance g-factors and their relation to the complex geometry, ligand coordination, and nature of the nonbonding 5f orbitals. The g-factors were calculated for the ground and excited states. For [NpO{sub 2}Cl{sub 4}]{sup 2-}, a strong influence of the environment of the complex on its magnetic behavior was demonstrated. Kohn-Sham DFT with standard functionals can produce reasonable g-factors as long as the calculation converges to a solution resembling the electronic state of interest. However, this is not always straightforward. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Field stability of piezoelectric shear properties in PIN-PMN-PT crystals under large drive field.

    Science.gov (United States)

    Zhang, Shujun; Li, Fei; Luo, Jun; Xia, Ru; Hackenberger, Wesley; Shrout, Thomas

    2011-02-01

    The coercive fields (E(C)) of Pb(In₀.₅Nb₀.₅)O₃-Pb(Mg(¹/₃)Nb(²/₃)O₃-PbTiO₃ (PIN-PMN-PT) ternary single crystals were found to be 5 kV/cm, double the value of binary Pb(Mg(¹/₃)Nb(²/₃)O₃-PbTiO₃ (PMNT) crystals, further increased to 6 to 9 kV/cm using Mn modifications. In addition to an increased EC, the acceptor modification resulted in the developed internal bias (E(int)), on the order of ~1 kV/cm. The piezoelectric shear properties of unmodified and Mn-modified PIN-PMN-PT crystals with various domain configurations were investigated. The shear piezoelectric coefficients and electromechanical coupling factors for different domain configurations were found to be >2000 pC/N and >0.85, respectively, with slightly reduced properties observed in Mn-modified tetragonal crystals. Fatigue/cycling tests performed on shearmode samples as a function of ac drive field level demonstrated that the allowable ac field levels (the maximum applied ac field before the occurrence of depolarization) were only ~2 kV/cm for unmodified crystals, less than half of their coercive field. Allowable ac drive levels were on the order of 4 to 6 kV/cm for Mn-modified crystals with rhombohedral/orthorhombic phase, further increased to 5 to 8 kV/cm in tetragonal crystals, because of their higher coercive fields. It is of particular interest that the allowable ac drive field level for Mn-modified crystals was found to be ≥ 60% of their coercive fields, because of the developed E(int), induced by the acceptor-oxygen vacancy defect dipoles.

  18. Organic field-effect transistors using single crystals

    Directory of Open Access Journals (Sweden)

    Tatsuo Hasegawa and Jun Takeya

    2009-01-01

    Full Text Available 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.

  19. TOPICAL REVIEW: Organic field-effect transistors using single crystals

    Science.gov (United States)

    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 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.

  20. Effective-Field Theory on High Spin Systems with Biaxial Crystal Field

    Institute of Scientific and Technical Information of China (English)

    JIANG Wei; GUO An-Bang; LI Xin; WANG Xi-Kun; BAI Bao-Dong

    2006-01-01

    Based on the effective-field theory with self-spin correlations and the differential operator technique,physical properties of the spin-2 system with biaxial crystal field on the simple cubic, body-centered cubic, as well as faced-centered lattice have been studied. The influences of the external longitudinal magnetic field on the magnetization,internal energy, specific heat, and susceptibility have been discussed in detail. The phenomenon that the magnetization in the ground state shows quantum effects produced by the biaxial transverse crystal field has been found.

  1. Zeeman study of Raman-active crystal-field transitions in Nd{sub 2}CuO{sub 4} and Sm{sub 2}CuO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Strach, T.; Ruf, T.; Cardona, M. [Max-Planck-Institut fuer Festkoerperforschung, Heisenbergstrasse 1, D-70569 Stuttgart (Germany); Jandl, S. [Centre de Recherche en Physique du Solide, Departement de Physique, Universite de Sherbrooke, Sherbrooke, Quebec, (Canada) J1K 2RI; Nekvasil, V. [Institute of Physics, Czech Academy of Sciences, Cukrovarnicka 10, 162 00, Prague 6 (Czech Republic); Chen, C.; Wanklyn, B.M. [Department of Physics, Clarendon Laboratory, University of Oxford, Oxford OXI 3PU (United Kingdom); Zhigunov, D.I.; Barilo, S.N.; Shiryaev, S.V. [Institute of Physics of Solids and Semiconductors, Academy of Science of Belarus, 220072 Minsk, Tolstoi st. 4 (Belarus)

    1997-09-01

    We have measured by Raman scattering crystal-field (CF) transitions in Nd{sub 2}CuO{sub 4} and Sm{sub 2}CuO{sub 4} at low temperature in magnetic fields up to 16 T. The experimental results are in good agreement with theoretical calculations using a single-ion Hamiltonian which includes the CF potential, the rare-earth-Cu exchange interaction, and a Zeeman term. Furthermore, the measured Raman scattering intensities are in qualitative agreement with transition strengths predicted by calculations using second-order perturbation theory and the Judd-Ofelt approximation. Being sensitive to wave functions, such Zeeman studies provide a crucial test for the accuracy of CF Hamiltonians and their parameters. {copyright} {ital 1997} {ital The American Physical Society}

  2. Near-field probing of photonic crystal directional couplers

    DEFF Research Database (Denmark)

    Volkov, V. S.; Bozhevolnyi, S. I.; Borel, Peter Ingo

    2006-01-01

    . By comparing the near-field optical images recorded in and after the directional coupler area, the features of light distribution are analyzed. Finally, the scanning near-field optical microscope observations are found to be in agreement with the transmission measurements conducted with the same sample.......We report the design, fabrication and characterization of a photonic crystal directional with a size of ~20 x 20 mm2 fabricated in silicon-on-insulator material. Using a scanning near-field optical microscope we demonstrate a high coupling efficiency for TM polarized light at telecom wavelengths...

  3. Discovery of Interstellar CF+

    CERN Document Server

    Neufeld, D A; Menten, K M; Wolfire, M G; Black, J H; Schuller, F; Müller, H; Thorwirth, S; Gusten, R; Philipp, S

    2006-01-01

    We discuss the first astronomical detection of the CF+ (fluoromethylidynium) ion, obtained by observations of the J=1-0 (102.6 GHz), J=2-1 (205.2 GHz) and J=3-2 (307.7 GHz) rotational transitions toward the Orion Bar region. Our search for CF+, carried out using the IRAM 30m and APEX 12m telescopes, was motivated by recent theoretical models that predict CF+ abundances of a few times 1.E-10 in UV-irradiated molecular regions where C+ is present. The CF+ ion is produced by exothermic reactions of C+ with HF. Because fluorine atoms can react exothermically with H2, HF is predicted to be the dominant reservoir of fluorine, not only in well-shielded regions but also in the surface layers of molecular clouds where the C+ abundance is large. The observed CF+ line intensities imply the presence of CF+ column densities of at least 1.E+12 cm-2 over a region of size at least ~ 1 arcmin, in good agreement with theoretical predictions. They provide support for our current theories of interstellar fluorine chemistry, whic...

  4. Orientation ordering in J = 1 solid hydrogens at crystal fields

    CERN Document Server

    Antsygina, T N; Freimann, Y A; Hemley, R J

    2003-01-01

    A system of quantum linear rotators with a rotational quantum number J 1 is considered at a crystal field. An equation for orientation order parameter is derived, and the critical parameters, the phase separation curve and the lines of overheating and overcooling points are obtained. It is shown that in terms of the thermodynamics the behavior of the above linear rotators in the classical case and in the extremely quantum (J = 1) one is identical. For positive values of the crystal field there also exist parallels between orientation phase transitions in a system of rotators with J = 1 and phase transitions in a liquid-vapor system. It is shown that the consideration of J > 1 states results in a radical change of the phase transition behavior in a system of rotators: instead of the sole critical point typical for the J = 1 system, there appears a line of critical points.

  5. Magnetic Field Measurements Based on Terfenol Coated Photonic Crystal Fibers

    Directory of Open Access Journals (Sweden)

    Carla C. Kato

    2011-11-01

    Full Text Available A magnetic field sensor based on the integration of a high birefringence photonic crystal fiber and a composite material made of Terfenol particles and an epoxy resin is proposed. An in-fiber modal interferometer is assembled by evenly exciting both eigenemodes of the HiBi fiber. Changes in the cavity length as well as the effective refractive index are induced by exposing the sensor head to magnetic fields. The magnetic field sensor has a sensitivity of 0.006 (nm/mT over a range from 0 to 300 mT with a resolution about ±1 mT. A fiber Bragg grating magnetic field sensor is also fabricated and employed to characterize the response of Terfenol composite to the magnetic field.

  6. Magnetic field measurements based on Terfenol coated photonic crystal fibers.

    Science.gov (United States)

    Quintero, Sully M M; Martelli, Cicero; Braga, Arthur M B; Valente, Luiz C G; Kato, Carla C

    2011-01-01

    A magnetic field sensor based on the integration of a high birefringence photonic crystal fiber and a composite material made of Terfenol particles and an epoxy resin is proposed. An in-fiber modal interferometer is assembled by evenly exciting both eigenemodes of the HiBi fiber. Changes in the cavity length as well as the effective refractive index are induced by exposing the sensor head to magnetic fields. The magnetic field sensor has a sensitivity of 0.006 (nm/mT) over a range from 0 to 300 mT with a resolution about ±1 mT. A fiber Bragg grating magnetic field sensor is also fabricated and employed to characterize the response of Terfenol composite to the magnetic field.

  7. Low-frequency electromagnetic field in a Wigner crystal

    CERN Document Server

    Stupka, Anton

    2016-01-01

    Long-wave low-frequency oscillations are described in a Wigner crystal by generalization of the reverse continuum model for the case of electronic lattice. The internal self-consistent long-wave electromagnetic field is used to describe the collective motions in the system. The eigenvectors and eigenvalues of the obtained system of equations are derived. The velocities of longitudinal and transversal sound waves are found.

  8. Semiconductor Crystal Growth in Static and Rotating Magnetic fields

    Science.gov (United States)

    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

  9. Order by virtual crystal field fluctuations in pyrochlore XY antiferromagnets

    Science.gov (United States)

    Rau, Jeffrey G.; Petit, Sylvain; Gingras, Michel J. P.

    2016-05-01

    Conclusive evidence of order by disorder is scarce in real materials. Perhaps one of the strongest cases presented has been for the pyrochlore XY antiferromagnet Er2Ti2O7 , with the ground state selection proceeding by order by disorder induced through the effects of quantum fluctuations. This identification assumes the smallness of the effect of virtual crystal field fluctuations that could provide an alternative route to picking the ground state. Here we show that this order by virtual crystal field fluctuations is not only significant, but competitive with the effects of quantum fluctuations. Further, we argue that higher-multipolar interactions that are generically present in rare-earth magnets can dramatically enhance this effect. From a simplified bilinear-biquadratic model of these multipolar interactions, we show how the virtual crystal field fluctuations manifest in Er2Ti2O7 using a combination of strong-coupling perturbation theory and the random-phase approximation. We find that the experimentally observed ψ2 state is indeed selected and the experimentally measured excitation gap can be reproduced when the bilinear and biquadratic couplings are comparable while maintaining agreement with the entire experimental spin-wave excitation spectrum. Finally, we comment on possible tests of this scenario and discuss implications for other order-by-disorder candidates in rare-earth magnets.

  10. Introduction to Phase-Field Model and Its Applications in the Fields of Crystal Growth and Planetary Science

    Science.gov (United States)

    Miura, Hitoshi; Yokoyama, Etsuro; Tsukamoto, Katsuo

    2010-07-01

    The growth of crystal induces a change of ambient environment (temperature, concentration, etc.), and the environmental change gives some feedback to the growth of crystal. The interaction between the crystal growth and ambient environment is important to be taken into consideration, also in the crystallization process of cosmic crystals observed in chondritic meteorites. In this lecture, we will introduce the phase-field simulation, which is one of the powerful numerical methods to treat the crystal growth and diffusion fields (temperature, concentration, etc.) simultaneously. Participants can experience some phase-field simulations on their own laptop by using a newly developed Java program, which will be distributed at the school.

  11. Ab-initio calculations of Judd–Ofelt intensity parameters for transitions between crystal-field levels

    Energy Technology Data Exchange (ETDEWEB)

    Wen, Jun, E-mail: wenjunkd@mail.ustc.edu.cn [School of Physics and Electric Engineering, Anqing Normal University, Anqing 246011 (China); Department of Physics, University of Science and Technology of China, Hefei 230026 (China); Reid, Michael F. [Department of Physics and Astronomy and MacDiarmid Institute for Advanced Materials and Nanotechnology, University of Canterbury, PB4800 Christchurch (New Zealand); Ning, Lixin [Department of Physics, Anhui Normal University, Wuhu 241000 (China); Zhang, Jie [School of Physics and Electric Engineering, Anqing Normal University, Anqing 246011 (China); Zhang, Yongfan [Department of Chemistry, Fuzhou University, Fuzhou, Fujian 350002 (China); Duan, Chang-Kui; Yin, Min [Department of Physics, University of Science and Technology of China, Hefei 230026 (China)

    2014-08-01

    Wavefunction-based ab-initio calculations of the electric-dipole moments of 4f{sup N}–4f{sup N} transitions of lanthanide ions are performed to extract the A{sub tp}{sup λ} intensity parameters. The extraction method is an extension of our earlier calculations of crystal-field (CF) parameters for lanthanide ions in crystals. The CASSCF/RASSI-SO (Complete-Active-Space Self-Consistent-Field/Restricted-Active-Space State-Interaction Spin-Orbit) calculations have been carried out on the chosen model system of CaF{sub 2}: Ce{sup 3+} with an interstitial fluoride ion (F{sub i}{sup −}) on z-axis (Ce{sup 3+} ion occupying the C{sub 4v} symmetry site). In consideration of the site symmetry and the coordination situation of Ce{sup 3+} ion at C{sub 4v} site in CaF{sub 2} as well as the superposition model (SM), the calculated intensity parameters for Ce{sup 3+} ion can be classified into three categories, and detailed discussions are then given. - Highlights: • Extraction of transition intensity parameters from ab-initio calculations. • CASSCF/RASSI-SO calculations are performed for Ce{sup 3+}-doped CaF{sub 2} crystal (C{sub 4v} case). • Extracted parameters are analyzed and compared with experiment and other calculation.

  12. Phase-field-crystal model for fcc ordering.

    Science.gov (United States)

    Wu, Kuo-An; Adland, Ari; Karma, Alain

    2010-06-01

    We develop and analyze a two-mode phase-field-crystal model to describe fcc ordering. The model is formulated by coupling two different sets of crystal density waves corresponding to and reciprocal lattice vectors, which are chosen to form triads so as to produce a simple free-energy landscape with coexistence of crystal and liquid phases. The feasibility of the approach is demonstrated with numerical examples of polycrystalline and (111) twin growth. We use a two-mode amplitude expansion to characterize analytically the free-energy landscape of the model, identifying parameter ranges where fcc is stable or metastable with respect to bcc. In addition, we derive analytical expressions for the elastic constants for both fcc and bcc. Those expressions show that a nonvanishing amplitude of [200] density waves is essential to obtain mechanically stable fcc crystals with a nonvanishing tetragonal shear modulus (C11-C12)/2. We determine the model parameters for specific materials by fitting the peak liquid structure factor properties and solid-density wave amplitudes following the approach developed for bcc [K.-A. Wu and A. Karma, Phys. Rev. B 76, 184107 (2007)]. This procedure yields reasonable predictions of elastic constants for both bcc Fe and fcc Ni using input parameters from molecular dynamics simulations. The application of the model to two-dimensional square lattices is also briefly examined.

  13. Magnetic properties of a three layer superlattice with a crystal field

    Institute of Scientific and Technical Information of China (English)

    Jiang Wei; Li Xin; Wang Xi-Kun; Guo An-Bang

    2006-01-01

    In this paper the magnetic properties of a three layer superlattice with the crystal field on the honeycomb and square lattice have been studied based on the effective-field theory with self-spin correlations and the differential operator technique. The effects of the crystal field and longitudinal magnetic field on the susceptibility are discussed in detail. A number of interesting phenomena, originating from the competition between the longitudinal magnetic field, crystal-field,and coordination number, have been found.

  14. Synthesis and Crystal Structure of Ag2(admtrz)2(CF3CO2)2(admtrz = 4-amino-3, 5-dimethyl-1, 2, 4-triazole)

    Institute of Scientific and Technical Information of China (English)

    刘家成; 郭国聪; 马宏伟; 杨春; 周国伟; 郑发鲲; 林善伙; 王明盛; 黄锦顺

    2002-01-01

    The title compound (Ag2F6O4N8C12H16, Mr = 666.07) was synthesized and its crystal structure was determined by single-crystal X-ray diffraction method. It crystallizes in orthorhombic, space group Fddd with cell parameters: a = 12.2718(1), b = 23.3229(1), c = 29.1918(1) (A。), V = 8355.10(8) (A。)3, Z = 16, Dc = 2.118 g/cm3, F(000) = 5184 and ( = 1.966 mm-1. The structure was solved by direct methods and refined by full-matrix least-squares methods. The final R = 0.0624 and Rw = 0.1699 for 1584 observed reflections with I ≥ 2.0((I). The molecular structure consists of two trigonal silver atoms bridged by double triazole ligands. The distance between the two silver atoms Ag(1)…Ag(1A) is 3.475(2) (A。).

  15. Crystal field excitations in the cubic compound Ce{sub 3}Rh{sub 4}Sn{sub 13}

    Energy Technology Data Exchange (ETDEWEB)

    Adroja, D.T. [ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0QX (United Kingdom)], E-mail: d.t.adroja@rl.ac.uk; Strydom, A.M. [Department of Physics APK, University of Johannesburg (South Africa); Murani, A.P. [Institut Laue Langevin, F-38042 Grenoble Cedex (France); Kockelmann, W.A. [ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0QX (United Kingdom); Fraile, A. [Laboratorio de Magnetismo, Dpto de Fisica de Materia Condensada and Instituto de Ciencia de Materiales de Aragon, Universidad de Zaragoza, 50009 Zaragoza (Spain)

    2008-04-01

    The recent heat capacity measurements of Ce{sub 3}Rh{sub 4}Sn{sub 13} have revealed a broad peak at 1 K with an entropy of 3R ln(2) per f.u., but no clear sign of any magnetic ordering down to 100 mK. In order to understand this anomalous heat capacity behaviour of Ce{sub 3}Rh{sub 4}Sn{sub 13}, we have carried out low- and high-energy inelastic neutron scattering measurements. Our high-energy studies reveal two well-resolved crystal field (CF) excitations at {approx}9 meV and 38 meV. The observation of two CF excitations in the cubic structure of Ce{sub 3}Rh{sub 4}Sn{sub 13} could be explained on the basis of tetragonal point symmetry of the Ce ions. Interestingly, the low-energy measurements apparently show, or are best described by, a quasi-elastic peak and an inelastic peak at {approx}0.2 meV at 1.5 K, both of Lorentzian shape. We attribute the low-energy peak to Zeeman splitting of the ground state doublet, in the presence of short range magnetic ordering. Further, the low-energy peak explains the observed anomaly in the heat capacity.

  16. Near-field characterization of photonic crystal Y-splitters

    DEFF Research Database (Denmark)

    Volkov, V. S.; Bozhevolnyi, S. I.; Borel, Peter Ingo

    2005-01-01

    -1570 nm. The recorded intensity distribution exhibit highly wavelength (and polarization) dependent intensity variations along the propagation direction, especially around the fork and bend regions. By comparing the SNOM images recorded in and after the PC Y-splitter area, the features of light......A scanning near-field optical microscope (SNOM) is used to directly map the propagation of light in a specially designed 50/50 photonic crystal (PC) Y-splitter fabricated on silicon-on-insulator (SOI) wafers. SNOM images are obtained for TE- and TM-polarized light in the wavelength range 1425...

  17. Charge Penetration Effects in Rare-Earth Crystal Fields.

    Science.gov (United States)

    1982-06-01

    Interactions, 3. Three-Parameter Theory of Crystal Fields, Harry Diamond Laboratories HDL-TR-1673 (June 1975). 2R. M. Sternheimer , Phys. Rev., 84 (1951...R. M. Sternheimer , Phys. Rev., 84 (1951), 244. (3) R. E. Watson and A. J. Freeman, Phys. Rev., 135 (1964), A1209. (4) D. Sengupta and J. 0. Artman...A RARE-EARTH ION INTO THE CHARGE DI! THE RESULTS ARE CAST INTO A FORM REMINISCENT OF THE STERNHEIMER SHIELDING FA( A PRIME NM(R TO THE NTH POWER) TO

  18. Theoretical studies of the crystal-field energy levels and EPR g factors for CeFeAsO1-xFx

    Science.gov (United States)

    Dong, Hui-Ning; Zhou, Hong-Fei; Yang, Guo-Ren

    2015-08-01

    The ion-based superconductor CeFeAsO1-xFx has received much attention because this rare earth oxypnictide belongs to a new class RFeAsO1-xFx of high-Tc superconductors with critical temperatures surpassed by high-Tc copper oxides. Since the Ce3+ is situated near the superconducting FeAs plane, it can be used as a probe to study the influence of superconductivity on spin dynamic properties of the FeAs layer. It is important to determine the optical and magnetic properties of rare earth ion in oxypnictides. Here, based on the crystal-field theory, the crystal-field (CF) energy levels and electron paramagnetic resonance parameters g factors of Ce3+ in CeFeAsO1-xFx are studied by diagonalizing the full energy matrix. In the calculations, the contributions of various admixtures and interactions are all considered. The results are discussed.

  19. Organic single-crystal light-emitting field-effect transistors

    NARCIS (Netherlands)

    Hotta, Shu; Yamao, Takeshi; Bisri, Satria Zulkarnaen; Takenobu, Taishi; Iwasa, Yoshihiro

    2014-01-01

    Growth and characterisation of single crystals constitute a major field of materials science. In this feature article we overview the characteristics of organic single-crystal light-emitting field-effect transistors (OSCLEFETs). The contents include the single crystal growth of organic semiconductor

  20. Crystal-field analysis for RE 3+ ions in laser materials: II. Absorption spectra and energy levels calculations for Nd 3+ ions doped into SrLaGa 3O 7 and BaLaGa 3O 7 crystals and Tm 3+ ions in SrGdGa 3O 7

    Science.gov (United States)

    Karbowiak, M.; Gnutek, P.; Rudowicz, C.; Ryba-Romanowski, W.

    2011-08-01

    Low temperature polarized absorption spectra are analyzed to achieve assignments of energy levels for Nd 3+ and Tm 3+ ions at monoclinic C s site symmetry in ABC 3O 7 crystals. Based on the concept of average optical center, the experimental energy levels for single crystals of SrLaGa 3O 7:Nd 3+ (SLG:Nd), BaLaGa 3O 7:Nd 3+ (BLG:Nd), and SrGdGa 3O 7:Tm 3+ (SGG:Tm) were analyzed in terms of the free-ion parameters and the crystal field (CF) ones, B kq. Assignments of the energy levels resolved in the spectra were done in stages applying the ascent/descent in symmetry method in CF analysis. The actual monoclinic C s site symmetry at the metal centers in ABC 3O 7 crystals and the approximated orthorhombic C 2v and tetragonal C 4v symmetry were considered. The starting values of B kq's for SLG:Nd and BLG:Nd crystals were obtained from superposition model (SPM) analysis. The final fitted crystal field parameters show high compatibility with the existing data for structurally similar ion-host systems. The obtained values of the intrinsic parameters provide basis for SPM analysis of CF parameters for rare earth ions in other similar systems, especially those exhibiting low-symmetry sites. The SPM parameters derived for SLG:Nd are used for simulation and assignment of the energy levels involved in the potential laser transitions at about 1800 nm due to Tm 3+ ions in SGG crystals. The evaluated emission cross-section is about two times lower than that obtained previously.

  1. Crystal field excitations of YbMn2Si2

    Science.gov (United States)

    Mole, R. A.; Hofmann, M.; Adroja, D. T.; Moze, O.; Campbell, S. J.

    2013-12-01

    The crystal field excitations of the rare earth intermetallic compound YbMn2Si2 have been measured by inelastic neutron scattering over the temperature range 2.5-50 K. The YbMn2Si2 spectra exhibit three low energy excitations (~3-7 meV) in the antiferromagnetic AFil region above the magnetic phase transition at TN2 = 30(5) K. The crystal field parameters have been determined for YbMn2Si2 in the antiferromagnetic AFil region. A further two inelastic excitations (~9 meV, 17 meV) are observed below TN2=30(5) K, the temperature at which the high temperature antiferromagnetic structure is reported to exhibit doubling of the magnetic cell. Energy level diagrams have been determined for Yb3+ ions in the different sites above (single site) and below the magnetic transition temperature (two sites). The excitation energies for both sites are shown to be temperature independent with the temperature dependences of the transition intensities for the two sites described well by a simple Boltzmann model. The spectra below TN2 cannot be described fully in terms of molecular field models based on either a single Yb3+ site or two Yb3+ sites. This indicates that the magnetic behaviour of YbMn2Si2 is more complicated than previously considered. The inability to account fully for excitations below the magnetic phase transition may be due to an, as yet, unresolved structural transition associated with the magnetic transition.

  2. Hysteresis behaviors of the crystal field diluted general spin-S Ising model

    Science.gov (United States)

    Akıncı, Ümit

    2017-10-01

    Hysteresis characteristics of the crystal field diluted general Spin-S (S > 1) Blume-Capel model have been studied within the effective field approximation. Particular emphasis has been paid on the large negative valued crystal field and low temperature region and it has been demonstrated for this region that, rising dilution of the crystal field results in decreasing number of windowed hysteresis loops. The evolution of the multiple hysteresis loop with the dilution of the crystal field has been investigated and physical mechanism behind this evolution has been given.

  3. The Effects of a Magnetic Field on the Crystallization of a Fluorozirconate Glass

    Science.gov (United States)

    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.

  4. Crystal field effects on interionic distance in cubic MgO crystal doped with Fe{sup 2+} ions

    Energy Technology Data Exchange (ETDEWEB)

    Ivascu, S.; Gruia, A.S. [Faculty of Physics, West University of Timisoara, Bd. V. Parvan 4, 300223-Timisoara (Romania); Avram, N.M., E-mail: avram@physics.uvt.ro [Faculty of Physics, West University of Timisoara, Bd. V. Parvan 4, 300223-Timisoara (Romania); Academy of Romanian Scientists, Independentei 54, 050094-Bucharest (Romania)

    2014-10-01

    The exchange charge model of crystal field was applied to determine the dependence of the crystal field strength 10Dq on interionic distances R between the Fe{sup 2+} impurity ion and O{sup 2−} ligands in cubic MgO:Fe{sup 2+}. The obtained results were extrapolated by the power law and was shown that 10Dq depends on R as 1/R{sup n}, with n=6.3486. The deviations of these values from the value n=5 (predicted by the simple point charge model of crystal field) is explained by the covalent and exchange effects between impurity ion and ligands; the contribution of these effects into the total crystal field strength was considered separately. The 10Dq functions obtained as a result of our calculations were used for estimations of the electron–vibrational constants, Huang–Rhys parameters, and Jahn–Teller stabilization energy, and compared with available literature data.

  5. Crystal field effects on interionic distance in cubic MgO crystal doped with Fe2+ ions

    Science.gov (United States)

    Ivascu, S.; Gruia, A. S.; Avram, N. M.

    2014-10-01

    The exchange charge model of crystal field was applied to determine the dependence of the crystal field strength 10Dq on interionic distances R between the Fe2+ impurity ion and O2- ligands in cubic MgO:Fe2+. The obtained results were extrapolated by the power law and was shown that 10Dq depends on R as 1/R, with n=6.3486. The deviations of these values from the value n=5 (predicted by the simple point charge model of crystal field) is explained by the covalent and exchange effects between impurity ion and ligands; the contribution of these effects into the total crystal field strength was considered separately. The 10Dq functions obtained as a result of our calculations were used for estimations of the electron-vibrational constants, Huang-Rhys parameters, and Jahn-Teller stabilization energy, and compared with available literature data.

  6. Experimental investigation and crystal-field modeling of Er{sup 3+} energy levels in GSGG crystal

    Energy Technology Data Exchange (ETDEWEB)

    Gao, J.Y., E-mail: jygao1985@sina.com [Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031 (China); Sun, D.L.; Zhang, Q.L. [Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031 (China); Wang, X.F. [Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031 (China); Graduate School of the Chinese Academy of Sciences, Beijing 100049 (China); Liu, W.P.; Luo, J.Q.; Sun, G.H.; Yin, S.T. [Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei 230031 (China)

    2016-06-25

    The Er{sup 3+}-doped Gd{sub 3}Sc{sub 2}Ga{sub 3}O{sub 12} (Er{sup 3+}:GSGG) single crystal, a excellent medium of the mid-infrared and anti-radiation solid state laser pumped by laser diode, was grown by Czochralski method successfully. The absorption spectra were measured and analyzed in a wider spectral wavelength range of 350–1700 nm at different temperatures of 7.6, 77, 200 and 300 K. The free-ions and crystal-field parameters were fitted to the experimental energy levels with the root mean square deviation of 9.86 cm{sup −1}. According to the crystal-field calculations, 124 degenerate energy levels of Er{sup 3+} in GSGG host crystals were assigned. The fitting results of free-ions and crystal-field parameters were compared with those already reported of Er{sup 3+}:YSGG. The results indicated that the free-ions parameters for Er{sup 3+} in GSGG host are similar to those in YSGG host crystals, and the crystal-field interaction of GSGG is weaker than that of YSGG, which may result in the better laser characterization of Er{sup 3+}:GSGG crystal. - Highlights: • The efficient diode-end-pumped laser crystal Er:GSGG has been grown successfully. • The absorption spectra of Er:GSGG have been measured in range of 350–1700 nm. • The fitting result is very well for the root mean square deviation is 9.86 cm{sup −1}. • The 124 levels of Er:GSGG have been assigned from the crystal-field calculations.

  7. Spin-1 Blume-Capel model with longitudinal random crystal and transverse magnetic fields:A mean-field approach

    Institute of Scientific and Technical Information of China (English)

    Erhan Albayrak

    2013-01-01

    The spin-1 Blume-Capel model with transverse Ω and longitudinal external magnetic fields h,in addition to a longitudinal random crystal field D,is studied in the mean-field approximation.It is assumed that the crystal field is either turned on with probability p or turned off with probability 1-p on the sites of a square lattice.Phase diagrams are then calculated on the reduced temperature crystal field planes for given values of γ =-Ω/J and p at zero h.Thus,the effect of changing γ and p are illustrated on the phase diagrams in great detail and interesting results are observed.

  8. Reductive renormalization of the phase-field crystal equation.

    Science.gov (United States)

    Oono, Y; Shiwa, Y

    2012-12-01

    It has been known for some time that singular perturbation and reductive perturbation can be unified from the renormalization-group theoretical point of view: Reductive extraction of space-time global behavior is the essence of singular perturbation methods. Reductive renormalization was proposed to make this unification practically accessible; actually, this reductive perturbation is far simpler than most reduction methods, such as the rather standard scaling expansion. However, a rather cryptic exposition of the method seems to have been the cause of some trouble. Here, an explicit demonstration of the consistency of the reductive renormalization-group procedure is given for partial differentiation equations (of a certain type, including time-evolution semigroup type equations). Then, the procedure is applied to the reduction of a phase-field crystal equation to illustrate the streamlined reduction method. We conjecture that if the original system is structurally stable, the reductive renormalization-group result and that of the original equation are diffeomorphic.

  9. The Strength of PIN-PMN-PT Single Crystals under Bending with a Longitudinal Electric Field

    Science.gov (United States)

    2011-04-06

    The strength of PIN– PMN – PT single crystals under bending with a longitudinal electric field This article has been downloaded from IOPscience. Please...COVERED 00-00-2011 to 00-00-2011 4. TITLE AND SUBTITLE The Strength Of PIN- PMN - PT Single Crystals Under Bending With A Longitudinal Electric Field... PMN ? PT ) single crystals was measured using a four point bending apparatus with a longitudinal electric field applied to the bar during bending. The

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

    Directory of Open Access Journals (Sweden)

    Er-Kai Yan

    2016-11-01

    Full Text Available 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.

  11. Phase-field modeling on morphological landscape of isotactic polystyrene single crystals.

    Science.gov (United States)

    Xu, Haijun; Matkar, Rushikesh; Kyu, Thein

    2005-07-01

    Spatio-temporal growth of isotactic polystyrene single crystals during isothermal crystallization has been investigated theoretically based on the phase field model by solving temporal evolution of a nonconserved phase order parameter coupled with a heat conduction equation. In the description of the total free energy, an asymmetric double-well local free energy density has been adopted to represent the metastable melt and the stable solid crystal. Unlike the small molecule systems, polymer crystallization rarely reaches thermodynamic equilibrium; most polymer crystals are kinetically stabilized in some metastable states. To capture various metastable polymer crystals, the phase field crystal order parameter at the solidification potential has been treated to be supercooling dependent such that it can assume an intermediate value between zero (melt) and unity (perfect crystal), reflecting imperfect polycrystalline nature of polymer crystals. Two-dimensional simulations exhibit various single crystal morphologies of isotactic polystyrene crystals such as faceted hexagonal patterns transforming to nonfaceted snowflakes with increasing supercooling. Of particular interest is that heat liberation from the crystallizing front influences the curvature of the crystal-melt interface, leading to directional growth of lamellar tips and side branches. The landscape of these morphological textures has been established as a function of anisotropy of surface energy and supercooling. With increasing supercooling and decreasing anisotropy, the hexagonal single crystal transforms to the dense lamellar branching morphology in conformity with the experimental findings.

  12. Description of hard-sphere crystals and crystal-fluid interfaces: a comparison between density functional approaches and a phase-field crystal model.

    Science.gov (United States)

    Oettel, M; Dorosz, S; Berghoff, M; Nestler, B; Schilling, T

    2012-08-01

    In materials science the phase-field crystal approach has become popular to model crystallization processes. Phase-field crystal models are in essence Landau-Ginzburg-type models, which should be derivable from the underlying microscopic description of the system in question. We present a study on classical density functional theory in three stages of approximation leading to a specific phase-field crystal model, and we discuss the limits of applicability of the models that result from these approximations. As a test system we have chosen the three-dimensional suspension of monodisperse hard spheres. The levels of density functional theory that we discuss are fundamental measure theory, a second-order Taylor expansion thereof, and a minimal phase-field crystal model. We have computed coexistence densities, vacancy concentrations in the crystalline phase, interfacial tensions, and interfacial order parameter profiles, and we compare these quantities to simulation results. We also suggest a procedure to fit the free parameters of the phase-field crystal model. Thereby it turns out that the order parameter of the phase-field crystal model is more consistent with a smeared density field (shifted and rescaled) than with the shifted and rescaled density itself. In brief, we conclude that fundamental measure theory is very accurate and can serve as a benchmark for the other theories. Taylor expansion strongly affects free energies, surface tensions, and vacancy concentrations. Furthermore it is phenomenologically misleading to interpret the phase-field crystal model as stemming directly from Taylor-expanded density functional theory.

  13. Reactions of a cyclodimethylsiloxane (Me2SiO)6 with silver salts of weakly coordinating anions; crystal structures of [Ag(Me2SiO)6][Al] ([Al] = [FAl{OC(CF3)3}3], [Al{OC(CF3)3}4]) and their comparison with [Ag(18-crown-6)]2[SbF6]2.

    Science.gov (United States)

    Cameron, T Stanley; Decken, Andreas; Krossing, Ingo; Passmore, Jack; Rautiainen, J Mikko; Wang, Xinping; Zeng, Xiaoqing

    2013-03-18

    Two silver-cyclodimethylsiloxane cation salts [AgD6][Al] ([Al] = [Al(ORF)4](1) or [FAl(OR(F))3](2), R(F) = C(CF3)3, D = Me2SiO) were prepared by the reactions of Ag[Al] with D6 in SO2(l). For a comparison the [Ag(18-crown-6)]2[SbF6]2(3) salt was prepared by the reaction of Ag[SbF6] and 18-crown-6 in SO2(l). The compounds were characterized by IR, multinuclear NMR, and single crystal X-ray crystallography. The structures of 1 and 2 show that D6 acts as a pseudo crown ether toward Ag(+). The stabilities and bonding of [MDn](+) and [M(18-crown-6)](+) (M = Ag, Li, n = 4-8) complexes were studied with theoretical calculations. The calculations predicted that D6 adopts a puckered C(i) symmetric structure in the gas phase in contrast to previous reports. 18-Crown-6 was calculated to bind more strongly to Li(+) and Ag(+) than D6. (29)Si[(1)H] NMR results in solution, and calculations in the gas phase established that a hard Lewis acid Li(+) binds more strongly to D6 than Ag(+). A comparison of the [MD(n)](+) complex stabilities showed D7 to form the most stable metal complexes in the gas phase and the solid state and explained why [AgD7][SbF6] was isolated in a previous reaction where ring transformations resulted in an equilibrium of [AgD(n)](+) complexes. In contrast, the isolations of 1 and 2 were possible because the corresponding equilibrium of [AgD(n)](+) complexes was not observed with [Al](-) anions. The formation of the dinuclear complex salt 3 instead of the corresponding mononuclear complex salt was shown to be driven by the gain in lattice enthalpy in the solid state. The bonding to Li(+) in D6 and 18-crown-6 metal complexes was described by a quantum theory of atoms in molecules (QTAIM) analysis to be mostly electrostatic while the bonding to Ag(+) also had a significant charge transfer component. The charge transfer from both D6 and 18-crown-6 to Ag(+) and Li(+) metal ions was depicted by the QTAIM analysis to be of similar strength, and the difference in the

  14. Crystal Fields in Dilute Rare-Earth Metals Obtained from Magnetization Measurements on Dilute Rare-Earth Alloys

    DEFF Research Database (Denmark)

    Touborg, P.; Høg, J.

    1974-01-01

    Crystal field parameters of Tb, Dy, and Er in Sc, Y, and Lu are summarized. These parameters are obtained from magnetization measurements on dilute single crystals, and successfully checked by a number of different methods. The crystal field parameters vary unpredictably with the rare-earth solute....... B40, B60, and B66 are similar in Y and Lu. Crystal field parameters for the pure metals Tb, Dy, and Er are estimated from the crystal fields in Y and Lu....

  15. CfRadial - CF NetCDF for Radar and Lidar Data in Polar Coordinates.

    Science.gov (United States)

    Dixon, M. J.; Lee, W. C.; Michelson, D.; Curtis, M.

    2016-12-01

    Since 1990, NCAR has supported over 20 different data formats for radar and lidar data in polar coordinates. Researchers, students and operational users spend unnecessary time handling a multitude of unique formats. CfRadial grew out of the need to simplify the use of these data and thereby to improve efficiency in research and operations. CfRadial adopts the well-known NetCDF framework, along with the Climate and Forecasting (CF) conventions such that data and metadata are accurately represented. Mobile platforms are also supported. The first major release, CfRadial version 1.1, occurred in February 2011, followed by minor updates. CfRadial has been adopted by NCAR as well as other agencies in the US and the UK. CfRadial development was boosted in 2015 through a two-year NSF EarthCube grant to improve CF in general. Version 1.4 was agreed upon in May 2016, adding explicit support for quality control fields and spectra. In Europe and Australia, EUMETNET OPERA's HDF5-based ODIM_H5 standard has been rapidly embraced as the modern standard for exchanging weather radar data for operations. ODIM_H5 exploits data groups, hierarchies, and built-in compression, characteristics that have been added to NetCDF4. A meeting of the WMO Task Team on Weather Radar Data Exchange (TT-WRDE) was held at NCAR in Boulder in July 2016, with a goal of identifying a single global standard for radar and lidar data in polar coordinates. CfRadial and ODIM_H5 were considered alongside the older and more rigid table-driven WMO BUFR and GRIB2 formats. TT-WRDE recommended that CfRadial 1.4 be merged with the sweep-oriented structure of ODIM_H5, making use of NetCDF groups, to produce a single format that will encompass the best ideas of both formats. That has led to the emergence of the CfRadial 2.0 standard. This format should meet the objectives of both the NSF EarthCube CF 2.0 initiative and the WMO TT-WRDE. It has the added benefit of improving data exchange between operational and research

  16. SOLIDIFICATION OF NICKEL-BASED SINGLE CRYSTAL SUPERALLOY BY ELECTRIC FIELD

    Institute of Scientific and Technical Information of China (English)

    Y.S. Yang; X.H. Feng; G.F. Cheng; Y.J. Li; Z.Q. Hu

    2005-01-01

    The crystal growth of a nickel-based single crystal superalloy DD3 was researched via controlled directional solidification under the action of a DC electric field. The cellular or dendrite spacing of the single crystal superalloy is refined and microsegregation of alloying elements Al,Ti, Mo and W, is reduced by the electric field. The electric field decreases the interface stability and reduces the critical growth rate of the cellular-dendritic translation because of Thomson effect and Joule heating. The precipitation of the γ' phase is more uniform and the size of the γ'phase is smaller with the electric field than that without the electric field.

  17. Estimation of the Birefringence Change in Crystals Induced by Gravitation Field

    OpenAIRE

    Vlokh R.; Kostyrko M.

    2007-01-01

    The effect of gravitation field of spherically symmetric mass on the birefringent properties of crystals has been analysed. It has been shown that the gravitation field with spherical symmetry can lead to a change of birefringence in anisotropic media.

  18. Single-crystal organic field-effect transistors based on dibenzo-tetrathiafulvalene

    NARCIS (Netherlands)

    Mas-Torrent, M.; Hadley, P.; Bromley, S.T.; Crivillers, N.; Veciana, J.; Rovira, C.

    2004-01-01

    We report on the fabrication and characterization of field-effect transistors based on single crystals of the organic semiconductor dibenzo-tetrathiafulvalene (DB-TTF). We demonstrate that it is possible to prepare very-good-quality DB-TTF crystals from solution. These devices show high field-effect

  19. Method to map individual electromagnetic field components inside a photonic crystal

    NARCIS (Netherlands)

    Denis, T.; Reijnders, B.; Lee, J.H.H.; van der Slot, Petrus J.M.; Vos, Willem L.; Boller, Klaus J.

    2012-01-01

    We present a method to map the absolute electromagnetic field strength inside photonic crystals. We apply the method to map the dominant electric field component Ez of a two-dimensional photonic crystal slab at microwave frequencies. The slab is placed between two mirrors to select Bloch standing

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

    NARCIS (Netherlands)

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

    2010-01-01

    The experimental temperature dependence (T = 2-300 K) of single crystal bulk and site susceptibilities of rare earth titanate pyrochlores R2Ti2O7 (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 s

  1. Crystal fields at light rare-earth ions in Y and Lu

    DEFF Research Database (Denmark)

    Touborg, P.; Nevald, Rolf; Johansson, Torben

    1978-01-01

    Crystal-field parameters have been deduced for the light rare-earth solutes Ce, Pr, and Nd in Y or Lu hosts from measurements of the paramagnetic susceptibilities. In the analysis all multiplets in the lowest LS term were included. For a given host, crystal-field parameters divided by Stevens fac...

  2. Effect of axial magnetic field on the shape of copper ribbon crystal grown by Czochralski method

    OpenAIRE

    Shen, Zhe; Zhong, Yunbo; Dong, Licheng; FAN, Lijun; Wang, Huai; Li, Chuanjun; Ren, Weili; Lei, Zuosheng; Ren, Zhongming

    2015-01-01

    International audience; During the process of growing ribbon crystal by Czochralski method, Turbulent convection in copper melt was effectively suppressed by applying an axial magnetic field (magnetic induction B≤57mT). The changes of thermal fluctuation and flow field were measured and modeled. With the magnetic field increased gradually (from 0 to 57mT), the shape of ribbon crystal became regularly wider. We concluded that the axial magnetic field could promote to form a suitable temperatur...

  3. Spectroscopy of f -f transitions, crystal-field calculations, and magnetic and quadrupole helix chirality in DyF e3(BO3) 4

    Science.gov (United States)

    Popova, M. N.; Chukalina, E. P.; Boldyrev, K. N.; Stanislavchuk, T. N.; Malkin, B. Z.; Gudim, I. A.

    2017-03-01

    We present the results of temperature- and polarization-dependent high-resolution optical spectroscopy studies of DyF e3(BO3) 4 performed in spectral ranges 40 -300 c m-1 and 3000 -23 000 c m-1 . The crystal-field (CF) parameters for the D y3 + ions in the P 3121 (P 3221 ) phase of DyF e3(BO3) 4 are obtained from calculations based on the analysis of the measured f-f transitions. Recently, quadrupole helix chirality and its domain structure was observed in resonant x-ray diffraction experiments on DyF e3(BO3) 4 using circularly polarized x rays [T. Usui, Y. Tanaka, H. Nakajima, M. Taguchi, A. Chainani, M. Oura, S. Shin, N. Katayama, H. Sawa, Y. Wakabayashi, and T. Kimura, Nat. Mater. 13, 611 (2014), 10.1038/nmat3942]. Using the obtained set of the CF parameters, we calculate temperature dependencies of the electronic quadrupole moments of the D y3 + ions induced by the low-symmetry (C2) CF component and show that the quadrupole helix chirality can be explained quantitatively. We also consider the temperature dependencies of the bulk magnetic dc-susceptibility and the helix chirality of the single-site magnetic susceptibility tensors of the D y3 + ions in the paramagnetic P 3121 (P 3221 ) phase and suggest the neutron and resonant x-ray diffraction experiments in a magnetic field to reveal the helix chirality of field-induced magnetic moments.

  4. CF3(+) and CF2H(+): new reagents for n-alkane determination in chemical ionisation reaction mass spectrometry.

    Science.gov (United States)

    Blake, Robert S; Ouheda, Saleh A; Evans, Corey J; Monks, Paul S

    2016-11-28

    Alkanes provide a particular analytical challenge to commonly used chemical ionisation methods such as proton-transfer from water owing to their basicity. It is demonstrated that the fluorocarbon ions CF3(+) and CF2H(+), generated from CF4, as reagents provide an effective means of detecting light n-alkanes in the range C2-C6 using direct chemical ionisation mass spectrometry. The present work assesses the applicability of the reagents in Chemical Ionisation Mass Spectrometric (CI-TOF-MS) environments with factors such as high moisture content, operating pressures of 1-10 Torr, accelerating electric fields (E/N) and long-lived intermediate complex formation. Of the commonly used chemical ionisation reagents, H3O(+) and NO(+) only react with hexane and higher while O2(+) reacts with all the target samples, but creates significant fragmentation. By contrast, CF3(+) and CF2H(+) acting together were found to produce little or no fragmentation. In dry conditions with E/N = 100 Td or higher the relative intensity of CF2H(+) to CF3(+) was mostly less than 1% but always less than 3%, making CF3(+) the main reagent ion. Using O2(+) in a parallel series of experiments, a substantially greater degree of fragmentation was observed. The detection sensitivities of the alkanes with CF3(+) and CF2H(+), while relatively low, were found to be better than those observed with O2(+). Experiments using alkane mixtures in the ppm range have shown the ionisation technique based on CF3(+) and CF2H(+) to be particularly useful for measurements of alkane/air mixtures found in polluted environments. As a demonstration of the technique's effectiveness in complex mixtures, the detection of n-alkanes in a smoker's breath is demonstrated.

  5. Phonon and crystal field excitations in geometrically frustrated rare earth titanates

    Science.gov (United States)

    Lummen, T. T. A.; Handayani, I. P.; Donker, M. C.; Fausti, D.; Dhalenne, G.; Berthet, P.; Revcolevschi, A.; van Loosdrecht, P. H. M.

    2008-06-01

    The phonon and crystal field excitations in several rare earth titanate pyrochlores are investigated. Magnetic measurements on single crystals of Gd2Ti2O7 , Tb2Ti2O7 , Dy2Ti2O7 , and Ho2Ti2O7 are used for characterization, while Raman spectroscopy and terahertz time domain spectroscopy are employed to probe the excitations in the materials. The lattice excitations are found to be analogous across the compounds over the whole temperature range investigated (295-4 K). The resulting full phononic characterization of the R2Ti2O7 pyrochlore structure is then used to identify crystal field excitations observed in the materials. Several crystal field excitations have been observed in Tb2Ti2O7 in Raman spectroscopy, among which all of the previously reported excitations. The presence of additional crystal field excitations, however, suggests the presence of two inequivalent Tb3+ sites in the low-temperature structure. Furthermore, the crystal field level at approximately 13cm-1 is found to be both Raman and dipole active, indicating broken inversion symmetry in the system and thus undermining its current symmetry interpretation. In addition, evidence is found for a significant crystal field-phonon coupling in Tb2Ti2O7 . The additional crystal field information on Tb2Ti2O7 adds to the recent discussion on the low temperature symmetry of this system and may serve to improve its theoretical understanding.

  6. Thermodynamical Properties of Spin-3/2 Ising Model in a Longitudinal Random Field with Crystal Field

    Institute of Scientific and Technical Information of China (English)

    LIANGYa-Qiu; WEIGuo-Zhu; ZHANGHong; SONGGuo-Li

    2004-01-01

    A theoretical study of a spin-3/2 Ising model in a longitudinal random field with crystal field is studied by using of the effective-field theory with correlations. The phase diagrams and the behavior of the tricritical point are investigated numerically for the honeycomb lattice when the random field is bimodal. In particular, the specific heat and the internal energy are examined in detail for the system with a crystal-field constant in the critical region where the ground-state configuration may change from the spin-3/2 state to the spin-1/2 state. We find many interesting phenomena in the system.

  7. Thermodynamical Properties of Spin-3/2 Ising Model in a Longitudinal Random Field with Crystal Field

    Institute of Scientific and Technical Information of China (English)

    LIANG Ya-Qiu; WEI Guo-Zhu; ZHANG Hong; SONG Guo-Li

    2004-01-01

    A theoretical study of a spin-3/2 Ising model in a longitudinal random field with crystal field is studiedby using of the effective-field theory with correlations. The phase diagrams and the behavior of the tricritical point areinvestigated numerically for the honeycomb lattice when the randorm field is bimodal. In particular, the specific heatand the internal energy are examined in detail for the system with a crystal-field constant in the critical region wherethe ground-state configuration may change from the spin-3/2 state to the spin-1/2 state. We find many interestingphenomena in the system.

  8. A CF4 based positron trap

    Science.gov (United States)

    Marjanović, Srdjan; Banković, Ana; Cassidy, David; Cooper, Ben; Deller, Adam; Dujko, Saša; Petrović, Zoran Lj

    2016-11-01

    All buffer-gas positron traps in use today rely on N2 as the primary trapping gas due to its conveniently placed {{{a}}}1{{\\Pi }} electronic excitation cross-section. The energy loss per excitation in this process is 8.5 eV, which is sufficient to capture positrons from low-energy moderated beams into a Penning-trap configuration of electric and magnetic fields. However, the energy range over which this cross-section is accessible overlaps with that for positronium (Ps) formation, resulting in inevitable losses and setting an intrinsic upper limit on the overall trapping efficiency of ∼25%. In this paper we present a numerical simulation of a device that uses CF4 as the primary trapping gas, exploiting vibrational excitation as the main inelastic capture process. The threshold for such excitations is far below that for Ps formation and hence, in principle, a CF4 trap can be highly efficient; our simulations indicate that it may be possible to achieve trapping efficiencies as high as 90%. We also report the results of an attempt to re-purpose an existing two-stage N2-based buffer-gas positron trap. Operating the device using CF4 proved unsuccessful, which we attribute to back scattering and expansion of the positron beam following interactions with the CF4 gas, and an unfavourably broad longitudinal beam energy spread arising from the magnetic field differential between the source and trap regions. The observed performance was broadly consistent with subsequent simulations that included parameters specific to the test system, and we outline the modifications that would be required to realise efficient positron trapping with CF4. However, additional losses appear to be present which require further investigation through both simulation and experiment.

  9. The Symmetry of Optical Field in Photonic Crystal Fibre with Trigonal Symmetry

    Directory of Open Access Journals (Sweden)

    Ivan Turek

    2006-01-01

    Full Text Available Some photographs of intensity of optical field of a photonic crystal fibre are presented in the contribution. Presented photographs document that the symmetry of photonic crystal creating the cladding of fibre is manifested in the symmetry of distribution of the optical field intensity. In case when more modes are excited in the fibre the symmetry of the generated field can be different as the symmetry of the eventual modes. How the symmetry may be changed is illustrated by amodel example.

  10. Influence of magnetic field on the growth and properties of calcium tartrate crystals

    Energy Technology Data Exchange (ETDEWEB)

    Saban, K.V. E-mail: sabanvarkey@rediffmail.com; Jini, T.; Varghese, G

    2003-10-01

    The growth of calcium tartrate crystals in hydrosilica gel, in the presence of static magnetic fields has been investigated. Crystal formation at the free surface of the gel was studied under fields of strength up to 3 T. Weak magnetic fields created by permanent ferrite magnets were used to study the crystal formation in the gel column over long duration. The XRD spectra of the samples grown under magnetic fields exhibit increase in d values of most of the diffraction peaks and noticeable change in the intensity of reflections from certain planes. Application of the field resulted in the appearance of two additional absorption peaks in the IR spectrum of the material. Samples grown under fields of strength 1 and 3 T show paramagnetism up to 6 and 7 T, respectively, of the probing field strength. For stronger probing fields, the samples start exhibiting diamagnetism.

  11. Probing the sheath electric field with a crystal lattice by using thermophoresis in dusty plasma

    CERN Document Server

    Land, Victor; Matthews, Lorin; Hyde, Truell

    2010-01-01

    A two-dimensional dust crystal levitated in the sheath of a modified Gaseous Electronics Conference (GEC) reference cell is manipulated by heating or cooling the lower electrode. The dust charge is obtained by measuring global characteristics of the levitated crystal obtained from top-view pictures. From the force balance, the electric field in the sheath is reconstructed. From the Bohm criterion, we conclude that the dust crystal is levitated mainly above and just below the classical Bohm point.

  12. Patterning technology for solution-processed organic crystal field-effect transistors

    OpenAIRE

    Yun Li; Huabin Sun; Yi Shi; Kazuhito Tsukagoshi

    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 recent development...

  13. The appearance energy of CF+3 from CF4: ion/molecule reactions related to the thermochemistry of CF+3

    Science.gov (United States)

    Fisher, Ellen R.; Armentrout, P. B.

    1990-11-01

    Guided ion beam mass spectrometry studies designed to measure the appearance energy for CF+3 from CF4 are reported. In contrast to a previous observation, we find that there is no flouride transfer equilibrium between CF+3. Rather, the thresholds for formation of CF+3 from reaction of ground state Kr+ (2P) with CF4 and from collision-induced dissociation of CF+3 by Xe are used to establish AE(CF+3/CF4).Both results are in good agreement although the former experiment yields a more precise value, namely 14.24 ± 0.07 eV.

  14. Hysteresis Loops and Phase Diagrams of the Spin-1 Ising Model in a Transverse Crystal Field

    Institute of Scientific and Technical Information of China (English)

    S. Bouhou; I. Essaoudi; A. Ainane; M. Saber; J. J. de Miguel; M. Kerouad1

    2012-01-01

    Within the framework of the effective-Geld theory with a probability distribution technique, which accounts for the self-spin correlation functions, the ferromagnetic spin-l Ising model with a transverse crystal field on honeycomb, square and simple cubic lattices is studied. We have investigated the effect of the transverse crystal field on the phase diagrams, magnetization, hysteresis loops and χz,h of the system. A number of interesting phenomena of the system are discussed.%Within the framework of the effective-field theory with a probability distribution technique,which accounts for the self-spin correlation functions,the ferromagnetic spin-1 Ising model with a transverse crystal field on honeycomb,square and simple cubic lattices is studied.We have investigated the effect of the transverse crystal field on the phase diagrams,magnetization,hysteresis loops and xz,h of the system.A number of interesting phenomena of the system are discussed.

  15. Characterizing configurable transmission modes in plasma photonic crystals using scanning field mapping

    Science.gov (United States)

    Wang, Benjamin; Cappelli, Mark

    2016-10-01

    A fully tunable plasma photonic crystal is used to control the propagation of free space electromagnetic waves in the S to X band of the microwave spectrum. A structured array of discharge plasma tubes are arranged in a square crystal lattice with the individual plasma dielectric constant tuned through variation in the plasma density. Microwave field-mapping is used to characterize the transmitted electromagnetic fields of the tunable device operating in waveguiding and bending modes. These modes are obtained by introducing appropriate line defects in the photonic crystal structure by controlling the activity of individual plasma tubes. Comparisons are made of the measured fields to those simulated using commercially-available software.

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

    Science.gov (United States)

    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.

  17. The effect of magnetic field on the shape of etch pits of paracetamol crystals

    Energy Technology Data Exchange (ETDEWEB)

    Ivashchenko, V.E. [Kemerovo State University, Novosibirsk (Russian Federation); Research and Educational Center, Novosibirsk State University (Russian Federation); Boldyrev, V.V.; Shakhtshneider, T.P. [Institute of Solid State Chemistry and Mechanochemistry, RAS, Novosibirsk (Russian Federation); Zakharov, Yu.A.; Krasheninin, V.I. [Kemerovo State University, Novosibirsk (Russian Federation); Ermakov, A.E. [Institute of Physics of Metals, Ural Branch of RAS, Ekaterinburg (Russian Federation)

    2002-04-01

    In the present study we investigate the effect of magnetic field on the shape of etch pits of the crystals of p-hydroxyacetanilide (paracetamol), which is widely used in pharmacy as antipyretic, antiphlogistic medicine. It was discovered that the magnetic field (H=0.5 T, {tau}=15 min) changes the morphology of etch pits and shifts dislocations in paracetamol crystal. Activation energy of the changes induced by the action of the magnetic field was determined to be 63 kJ/mol, which is comparable with the energy of hydrogen bonds in crystal lattice. (orig.)

  18. Anisotropic magnetic properties and crystal electric field studies on CePd2Ge2 single crystal.

    Science.gov (United States)

    Maurya, Arvind; Kulkarni, R; Dhar, S K; Thamizhavel, A

    2013-10-30

    The anisotropic magnetic properties of the antiferromagnetic compound CePd2Ge2, crystallizing in the tetragonal crystal structure have been investigated in detail on a single crystal grown by the Czochralski method. From the electrical transport, magnetization and heat capacity data, the Néel temperature is confirmed to be 5.1 K. Anisotropic behaviour of the magnetization and resistivity is observed along the two principal crystallographic directions-namely, [100] and [001]. The isothermal magnetization measured in the magnetically ordered state at 2 K exhibits a spin reorientation at 13.5 T for the field applied along the [100] direction, whereas the magnetization is linear along the [001] direction attaining a value of 0.94 μ(B)/Ce at 14 T. The reduced value of the magnetization is attributed to the crystalline electric field (CEF) effects. A sharp jump in the specific heat at the magnetic ordering temperature is observed. After subtracting the phononic contribution, the jump in the heat capacity amounts to 12.5 J K(-1)mol(-1) which is the expected value for a spin ½ system. From the CEF analysis of the magnetization data the excited crystal field split energy levels were estimated to be at 120 K and 230 K respectively, which quantitatively explains the observed Schottky anomaly in the heat capacity. A magnetic phase diagram has been constructed based on the field dependence of magnetic susceptibility and the heat capacity data.

  19. Crystal field analysis of Nd{sup 3+} energy levels in monoclinic NdAl{sub 3}(BO{sub 3}){sub 4} laser

    Energy Technology Data Exchange (ETDEWEB)

    Cascales, C.; Zaldo, C. [Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Cientificas, Cantoblanco, Madrid (Spain); Caldino, U. [Departamento de Fisica, Universidad Autonoma Metropolitana, Iztapalapa, Mexico DF (Mexico); Garcia Sole, J. [Departamento de Fisica de Materiales, Universidad Autonoma de Madrid, Cantoblanco, Madrid (Spain); Luo, Z.D. [Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian (China)

    2001-09-03

    The energies of 135 Kramers doublets extending up to the {sup 2}H1{sub 11/2} multiplet for Nd{sup 3+} in a monoclinic C2/c space group (No 15) NdAl{sub 3}(BO{sub 3}){sub 4} (NAB) single crystal laser have been determined from polarized optical absorption and photoluminescence measurements at 7 K. The strongly polarized character of the Nd spectra has been discussed under the assumption of a local D{sub 3} symmetry, higher than the C{sub 2} symmetry of NAB, and the observed energy levels have been labelled with the adequate crystal quantum numbers and irreducible representations. A detailed Hamiltonian of 21 parameters has been used in the simulation of the energy levels and associated wavefunctions of the 4f{sup 3} configuration of Nd{sup 3+}. The diagonalized complete energy matrix combines simultaneously the free-ion and single-particle crystal field interactions. Starting B{sup k}{sub q} CF parameters were calculated from the semi-empirical simple overlap model SOM. A comparative simulation considering the C{sub 2} symmetry of NAB is provided. Moreover, two-electron CF interactions as well as an empirical correction have been tested in calculating the anomalous splitting of the {sup 2}H2{sub 11/2} levels. A final fit in D{sub 3} symmetry produces a very good adjustment with a low rms deviation {sigma}=15.3 cm{sup -1} between observed and calculated energy levels. (author)

  20. Crystal field parameters and crystal field linewidths in the (REY)Pd/sub 3/ and (REY)Al/sub 2/ alloys

    Energy Technology Data Exchange (ETDEWEB)

    Walter, U.; Holland-Moritz, E.

    1981-12-01

    The LLW-parameters x and W of dilute rare earth impurities (RE = Pr, Nd, Tb, Dy, Ho, Er, Tm; c approx. equal to 0.05) in the cubic matrices YPd/sub 3/ and YAl/sub 2/ could be determined unequivocally in the crystal field scheme of Lea, Leask and Wolf by inelastic neutron scattering. The crystal field parameters derived from x and W are not consistent with the point charge model. The ratio of N(Esub(F))Jsub(ex) for the (REY)Al/sub 2/ extracted from the RE-linewidths correlates with the corresponding ratio extracted from their magnetic ordering temperatures.

  1. Growth, structure, spectral properties and crystal-field analysis of monoclinic Nd:YNbO4 single crystal

    Science.gov (United States)

    Ding, Shoujun; Zhang, Qingli; Gao, Jinyun; Liu, Wenpeng; Luo, Jianqiao; Sun, Dunlu; Sun, Guihua; Wang, Xiaofei

    2016-12-01

    A Nd:YNbO4 single crystal was successfully grown by Czochralski (Cz) method, its structural and spectroscopic properties were investigated. The X-ray rocking curve of the (010) diffraction face of Nd:YNbO4 crystal was measured, the full width at half maximum (FWHM) of this diffraction peak is 0.05°, which indicates a high crystalline quality of the as-grown crystal. Its lattice parameters, atomic coordinates and so on were obtained by Rietvield refinement to X-ray diffraction data. According to the Archimedes drainage method, the crystal density of Nd:YNbO4 is calculated to be 5.4 g/cm3. The Mohr‧s hardness value along (010) face was determined to be 6.0. The transmission spectrum along (010) face at room temperature was recorded and the excitation and emission spectra at 8 K were measured. Photoluminescence peaks of Nd:YNbO4 were assigned, and the crystal-field splitting of Nd3+ in YNbO4 was obtained. The fluorescence lifetime of the 4F3/2→4I11/2 transition of Nd3+ in YNbO4 is fitted to be 152 μs These spectroscopic and energy splitting data give an important reference for the research of laser property of Nd:YNbO4 crystal.

  2. Growth, structure, spectral properties and crystal-field analysis of monoclinic Nd:YNbO{sub 4} single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Ding, Shoujun [Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Key Laboratory of Photonic Devices and Materials, Hefei 230031 (China); University of Science and Technology of China, Hefei 230026 (China); Zhang, Qingli, E-mail: zql@aiofm.ac.cn [Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Key Laboratory of Photonic Devices and Materials, Hefei 230031 (China); Gao, Jinyun; Liu, Wenpeng; Luo, Jianqiao; Sun, Dunlu; Sun, Guihua; Wang, Xiaofei [Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Key Laboratory of Photonic Devices and Materials, Hefei 230031 (China)

    2016-12-15

    A Nd:YNbO{sub 4} single crystal was successfully grown by Czochralski (Cz) method, its structural and spectroscopic properties were investigated. The X-ray rocking curve of the (010) diffraction face of Nd:YNbO{sub 4} crystal was measured, the full width at half maximum (FWHM) of this diffraction peak is 0.05°, which indicates a high crystalline quality of the as-grown crystal. Its lattice parameters, atomic coordinates and so on were obtained by Rietvield refinement to X-ray diffraction data. According to the Archimedes drainage method, the crystal density of Nd:YNbO{sub 4} is calculated to be 5.4 g/cm{sup 3}. The Mohr′s hardness value along (010) face was determined to be 6.0. The transmission spectrum along (010) face at room temperature was recorded and the excitation and emission spectra at 8 K were measured. Photoluminescence peaks of Nd:YNbO{sub 4} were assigned, and the crystal-field splitting of Nd{sup 3+} in YNbO{sub 4} was obtained. The fluorescence lifetime of the {sup 4}F{sub 3/2}→{sup 4}I{sub 11/2} transition of Nd{sup 3+} in YNbO{sub 4} is fitted to be 152 μs These spectroscopic and energy splitting data give an important reference for the research of laser property of Nd:YNbO{sub 4} crystal.

  3. Influence of Superconductivity on Crystal Electric Field Transitions in La1-xTbxAl2

    DEFF Research Database (Denmark)

    Feile, R.; Loewenhaupt, M.; Kjems, Jørgen

    1981-01-01

    Inelastic neutron scattering from the crystal electric field transitions in La1-xTbxAl2 single crystals has revealed an abrupt increase in the lifetimes of these transitions when the system becomes superconducting. An increase in the integrated intensities is also observed. The lifetime effects...

  4. On the influence of soft crystal field excitations on the spectrum of spin excitations in CeNiSn-type Kondo lattices

    Energy Technology Data Exchange (ETDEWEB)

    Kagan, Yu.; Kikoin, K.A.; Mishchenko, A.S. [RRC Kurchatov Inst., Moscow (Russian Federation). Super Conductivity and Solid State

    1997-02-01

    On the grounds of the microscopic theory of heavy-fermion spin liquids a novel description of low-energy excitation spectra in CeNiSn and related compounds is offered. The anomalous properties of orthorhombic CeNiSn and related materials are explained by the interplay between the fermi-type spinon excitations with the energy scale T{sup *} {approx} T{sub K} and the one-site crystal field excitations with the energy {Delta}{sub CF} < T{sup *}. The theory gives both quantitative and qualitative description of inelastic neutron scattering spectra and low-temperature thermodynamics. It resolves also the apparent contradiction between metallic conductivity and gap-wise behavior of thermodynamic properties and spin response at low temperatures. (orig.). 8 refs.

  5. Spectroscopy of Charge Carriers and Traps in Field-Doped Single Crystal Organic Semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Xiaoyang [Columbia Univ., New York, NY (United States); Frisbie, Daniel [Univ. of Minnesota, Minneapolis, MN (United States)

    2017-03-31

    The proposed research aims to achieve quantitative, molecular level understanding of charge carriers and traps in field-doped crystalline organic semiconductors via in situ linear and nonlinear optical spectroscopy, in conjunction with transport measurements and molecular/crystal engineering.

  6. Mixed spin Ising model with four-spin interaction and random crystal field

    Energy Technology Data Exchange (ETDEWEB)

    Benayad, N., E-mail: n.benayad@fsac.ac.ma [Groupe de Mecanique Statistique, Laboratoire de physique theorique et appliquee, Faculte des sciences-Aien Chock, Universite Hassan II-Casablanca, B.P 5366 Maarif, Casablanca 20100 (Morocco); Laboratoire de physique des hautes energies et de la matiere condensee, Faculte des sciences-Aien Chock, Universite Hassan II-Casablanca, B.P 5366 Maarif, Casablanca 20100 (Morocco); Ghliyem, M. [Groupe de Mecanique Statistique, Laboratoire de physique theorique et appliquee, Faculte des sciences-Aien Chock, Universite Hassan II-Casablanca, B.P 5366 Maarif, Casablanca 20100 (Morocco); Laboratoire de physique des hautes energies et de la matiere condensee, Faculte des sciences-Aien Chock, Universite Hassan II-Casablanca, B.P 5366 Maarif, Casablanca 20100 (Morocco)

    2012-01-01

    The effects of fluctuations of the crystal field on the phase diagram of the mixed spin-1/2 and spin-1 Ising model with four-spin interactions are investigated within the finite cluster approximation based on a single-site cluster theory. The state equations are derived for the two-dimensional square lattice. It has been found that the system exhibits a variety of interesting features resulting from the fluctuation of the crystal field interactions. In particular, for low mean value D of the crystal field, the critical temperature is not very sensitive to fluctuations and all transitions are of second order for any value of the four-spin interactions. But for relatively high D, the transition temperature depends on the fluctuation of the crystal field, and the system undergoes tricritical behaviour for any strength of the four-spin interactions. We have also found that the model may exhibit reentrance for appropriate values of the system parameters.

  7. Imposed Orientation of Dye Molecules by Liquid Crystals and an Electric Field.

    Science.gov (United States)

    Sadlej-Sosnowska, Nina

    1980-01-01

    Describes experiments using dye solutions in liquid crystals in which polar molecules are oriented in an electrical field and devices are constructed to change their color in response to an electric signal. (CS)

  8. Calculation of electrostatic fields in ionic crystals by a Bertaut method

    NARCIS (Netherlands)

    Weenk, J.W.; Harwig, H.A.

    1975-01-01

    A method to calculate the electrostatic field strength in ionic crystals is evaluated according to a model by Bertaut. Formulae for the self potential and the field strength at an ion site are derived. The practical use is demonstrated by calculations of field vectors in TiO2 (rutile, anatase, brook

  9. Low field investigations of single crystal Bi(2212): DC magnetization

    Energy Technology Data Exchange (ETDEWEB)

    Shaw, G.; Murphy, S.D.; Bhagat, S.M. (Center for Superconductivity Research and Dept. of Physics and Astronomy, Univ. of Maryland, College Park (USA))

    1989-12-01

    DC Magnetization measurements on micaceous Bi(2212) single crystals suggest that; 1. for T< or approx.25 K the material is a bulk Superconductor (SC), 2. as T is increased, the interlayer coupling weakens, until for T> or approx.55 K the lamina become independent. (orig.).

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

    Science.gov (United States)

    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

  11. Crystal Fields in Er0.2Y0.98 Studied by Neutron Scattering

    DEFF Research Database (Denmark)

    Rathmann, Ole; Als-Nielsen, Jens Aage; Bak, Poul Erik;

    1974-01-01

    The splitting of the J=15/2 multiplet of Er in an hcp crystal field has been determined by inelastic neutron scattering from a single crystal of Er0.02Y0.98. Least-squares fits to the spectra gave crystal-field parameters B20=-0.34±0.04, B40=(0.7±0.2)×10-3, B60=(0.21±0.02)×10-4, and B66=(-0.30±0....

  12. Phase field crystal study of deformation and plasticity in nanocrystalline materials.

    Science.gov (United States)

    Stefanovic, Peter; Haataja, Mikko; Provatas, Nikolas

    2009-10-01

    We introduce a modified phase field crystal (MPFC) technique that self-consistently incorporates rapid strain relaxation alongside the usual plastic deformation and multiple crystal orientations featured by the traditional phase field crystal (PFC) technique. Our MPFC formalism can be used to study a host of important phase transformation phenomena in material processing that require rapid strain relaxation. We apply the MPFC model to study elastic and plastic deformations in nanocrystalline materials, focusing on the "reverse" Hall-Petch effect. Finally, we introduce a multigrid algorithm for efficient numerical simulations of the MPFC model.

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

    Science.gov (United States)

    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.

  14. Dependence of magnetization on crystal fields and exchange interactions in magnetite

    Energy Technology Data Exchange (ETDEWEB)

    Ouaissa, Mohamed, E-mail: m.ouaissa@yahoo.fr [Laboratoire de Génie Physique et Environnement, Faculté des Sciences, Université Ibn Tofail, Campus Universitaire BP 133, Kénitra 14000 (Morocco); Benyoussef, Abdelilah [Laboratory of Magnetism and Physics of High Energy, Faculty of Science, Mohammed V-Agdal University, Rabat (Morocco); Abo, Gavin S. [Department of Electrical and Computer Engineering and MINT Center, The University of Alabama, Tuscaloosa, AL 35487 (United States); Ouaissa, Samia; Hafid, Mustapha [Laboratoire de Génie Physique et Environnement, Faculté des Sciences, Université Ibn Tofail, Campus Universitaire BP 133, Kénitra 14000 (Morocco); Belaiche, Mohammed [Laboratoire de Magnétisme, Matériaux Magnétiques, Microonde et Céramique, Ecole Normale Supérieure, Université Mohammed V-Agdal, B.P. 9235, Océan, Rabat (Morocco)

    2015-11-15

    In this work, we study the magnetization of magnetite (Fe{sub 3}O{sub 4}) with different exchange interactions and crystal fields using variational method based on the Bogoliubov inequality for the Gibbs free energy within the mean field theory. The magnetic behavior was investigated in the absence and presence of crystal fields. The investigations also revealed that the transition temperature depends on the crystal fields of the octahedral and tetrahedral sites. Magnetite exhibits ferrimagnetic phase with second order transition to paramagnetic phase at 850 K. This result is confirmed using the mean field theory within the Heisenberg model. Important factors that can affect the magnetic behavior of the system are exchange interactions and crystal field. Indeed, a new magnetic behavior was observed depending on these parameters. A first order phase transition from ferrimagnetic to ferromagnetic was found at low temperature, and a second order transition from ferromagnetic to paramagnetic was observed at high temperature. - Highlights: • Magnetization of magnetite versus temperature was studied by mean field theory. • The critical temperature of magnetite (Fe{sub 3}O{sub 4}) was approximately obtained. • Effect of sublattice crystal fields on the magnetization of Fe{sub 3}O{sub 4} was investigated.

  15. Influence of Acoustic Field Structure on Polarization Characteristics of Acousto-optic Interaction in Crystals

    Science.gov (United States)

    Muromets, A. V.; Trushin, A. S.

    Influence of acoustic field structure on polarization characteristics of acousto-optic interaction is investigated. It is shown that inhomogeneity of acoustic field and mechanism of ultrasound excitation causes changes in values of acousto-optic figure of merit for ordinary and extraordinary light beams in comparison with theoretic values. The theoretic values were derived under assumption that acoustic wave is homogeneous. Experimental analysis was carried out in acousto-optic cell based on lithium niobate crystal where the acoustic wave propagates at the angle 13 degrees to Z axis of the crystal. We used three different methods of ultrasound generation in the crystal: by means of external piezotransducer, by interdigital transducer and by two sets of electrodes placed on top of the crystal surface. In the latter case, the first pair of the electrodes was directed along X crystal axis, while the second pair of the electrodes was directed orthogonally to X crystal axis and the direction of ultrasound. Obtained values for diffraction efficiencies for ordinary and extraordinary polarized optical beams were qualitatively different which may be caused by spatial inhomogeneity of the generated acoustic waves in the crystal. Structure of acoustic field generated by these sets of electrodes was examined by laser probing. We performed the analysis of the acoustic field intensity using acousto-optic method. A relation of diffraction efficiencies for ordinary and extraordinary light waves was measured during each iteration of the laser probing.

  16. Ground-State Phase Diagram of Transverse Spin-2 Ising Model with Longitudinal Crystal-Field

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    The transverse spin-2 Ising ferromagnetic model with a longitudinal crystal-field is studied within the mean-field theory based on Bogoliubov inequality for the Gibbs free energy. The ground-state phase diagram and the tricritical point are obtained in the transverse field Ω/z J-longitudinal crystal D/zJ field plane. We find that there are the first order-order phase transitions in a very smallrange of D/zJ besides the usual first order-disorder phase transitions and the second order-disorder phase transitions.

  17. Hidden local symmetry of Eu{sup 3+} in xenotime-like crystals revealed by high magnetic fields

    Energy Technology Data Exchange (ETDEWEB)

    Han, Yibo; Ma, Zongwei; Zhang, Junpei; Wang, Junfeng; Du, Guihuan; Xia, Zhengcai; Han, Junbo, E-mail: junbo.han@mail.hust.edu.cn; Li, Liang [Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan 430074 (China); Yu, Xuefeng [Department of Physics, Key Laboratory of Artificial Micro- and Nanostructures of Ministry of Education and School of Physics and Technology, Wuhan University, Wuhan 430072 (China)

    2015-02-07

    The excellent optical properties of europium-doped crystals in visible and near infrared wavelength regions enable them to have broad applications in optoelectronics, laser crystals and sensing devices. The local site crystal fields can affect the intensities and peak positions of the photo-emission lines strongly, but they are usually difficult to be clarified due to magnetically degenerate 4f electronic levels coupling with the crystal fields. Here, we provide an effective way to explore the hidden local symmetry of the Eu{sup 3+} sites in different hosts by taking photoluminescence measurements under pulsed high magnetic fields up to 46 T. The zero-field photoluminescence peaks split further at high magnetic fields when the Zeeman splitting energy is comparable to or larger than that of the crystal field induced zero-field splitting. In particular, a magnetic field induced crossover of the local crystal fields has been observed in the GdVO{sub 4}:Eu{sup 3+} crystal, which resulted from the alignment of Gd{sup 3+} magnetic moment in high magnetic fields; and a hexagonally symmetric local crystal fields was observed in the YPO{sub 4} nanocrystals at the Eu{sup 3+} sites characterized by the special axial and rhombic crystal field terms. These distinct Zeeman splitting behaviors uncover the crystal fields-related local symmetry of luminescent Eu{sup 3+} centers in different hosts or magnetic environments, which are significant for their applications in optics and optoelectronics.

  18. Change in crystal structure and physical properties of the Multiferroics YMnO3 single crystals by Strong gravitational field

    Science.gov (United States)

    Tokuda, M.; Weijian, M.; Hayami, S.; Yoshiasa, A.; Mashimo, T.

    2017-04-01

    Many researchers have studied the multiferroicity of the hexagonal RMnO3 (R: rare-earth element) for both applications and fundamental studies. To investigate the relationship between the structure and physical properties of materials, some people apply the chemical pressure effect. The procedure of chemical pressure effect involves substituting rare-earth elements for ones which have a different ionic radius. Mashimo et al. have developed a high-temperature ultracentrifuge apparatus that can generate extended duration strong gravitational field in excess of 106 G under a wide range of temperatures (up to 500°C). Strong gravitational fields directly act on each atom as a different body force. This can cause the change in crystal structure. Thus, we subjected YMnO3 single crystal to strong gravity experiments (0.78×106 G, 400°C, 2 h) and investigated the resulting changes in the crystal structure and physical properties of the gravity sample. The single crystal four-circle X-ray diffraction measurements revealed the change in the nearest neighboring Mn-Mn and M-O bond distances. The temperature dependence of magnetic susceptibility by SQUID showed the change in the magnetic anisotropy of gravity sample.

  19. Composite Fermion Theory for the High Field Wigner Crystal State

    Science.gov (United States)

    Narevich, Romanas; Murthy, Ganpathy; Fertig, Herbert

    2001-03-01

    The low filling fraction Quantum Hall Effect is reexamined using the hamiltonian composite fermion theory developed by Shankar and Murthy(R. Shankar and G. Murthy, Phys. Rev. Lett. 79), 4437 (1997). We address the experiment by Jiang et. al.(H. W. Jiang et. al., Phys. Rev. B 44), 8107 (1991) where the insulating phase surrounding the ν=1/5 quantum liquid was observed and its activation energies (gaps) measured. Previous studies either found gaps that were off by few orders of magnitude (Hartree-Fock calculations of the electronic Wigner crystal(D. Yoshioka and H. Fukuyama, J. Phys. Soc. Japan 47), 394 (1979)) or were unable to calculate them because of the computational complexity (Monte-Carlo studies of the correlated crystal(H. Yi and H. A. Fertig, Phys. Rev. B 58), 4019 (1998)). We use the Hartree-Fock approximation for the periodic density state of composite fermions and find gaps that have a correct order of magnitude and reproduce the experimental dependence on the filling factor. We also report the results of the shear modulus calculation relevant for the collective pinning of the crystal.

  20. High-Field Magnetization in PrCo2Si2 Single Crystals

    Science.gov (United States)

    Shigeoka, Toru; Fujii, Hironobu; Yonenobu, Kenji; Sugiyama, Kiyohiro; Date, Muneyuki

    1989-02-01

    Magnetic properties of PrCo2Si2 single crystals have been studied by measurements of high-field magnetization, magnetic susceptibility and electrical resistivity. Anomalous behaviors in the resistivity appear at three successive magnetic phase transition temperatures of 9, 17 and 30K. The magnetic susceptibility is highly anisotropic and is analyzed using the single-ion Hamiltonian, including the crystal-field and molecular-field effects. The thermal variations of the susceptibilities can be well reproduced by the crystal-field parameters estimated from the point-charge model. Metamagnetic transitions with four steps are observable in the c-axis magnetization process up to 300 kOe. The magnetization process is discussed in terms of the incommensurate exchange field model in the Ising system proposed by Date.

  1. Phase diagrams of mixtures of a polymer and a cholesteric liquid crystal under an external field.

    Science.gov (United States)

    Matsuyama, Akihiko

    2014-11-14

    We present a mean field theory to describe phase behaviors in mixtures of a polymer and a cholesteric liquid crystal under an external magnetic or electric field. Taking into account a chiral coupling between a polymer and a liquid crystal under the external field, we examine twist-untwist phase transitions and phase separations in the mixtures. It is found that a cholesteric-nematic phase transition can be induced by not only the external field but also concentration and temperature. Depending on the strength of the external field, we predict cholesteric-paranematic (Ch+pN), nematic-paranematic (N+pN), cholesteric-nematic (Ch+N) phase separations, etc., on the temperature-concentration plane. We also discuss mixtures of a non-chiral nematic liquid crystal and a chiral dopant.

  2. Exchange field effect in the crystal field ground state of CeMAl{sub 4}Si{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Kai; Strigari, Fabio; Sundermann, Martin; Severing, Andrea [University of Cologne, Cologne (Germany); Agrestini, Stefano [Max Planck Institute for Chemical Physics of Solids, Dresden (Germany); Bauer, Eric D.; Sarrao, John L.; Thompson, Joe D. [Los Alamos National Laboratory, Los Alamos, NM (United States); Otero, Edwige [Synchrotron Soleil, Gif-sur-Yvette (France); Tanaka, Arata [Hiroshima University, Higashi-Hiroshima (Japan)

    2016-07-01

    The crystal-field ground state wave functions of the tetragonal Kondo lattice materials CeMAl{sub 4}Si{sub 2}(M = Rh, Ir and Pt), as well as the crystal-field splittings, are determined with low temperature linear polarized soft x-ray absorption spectroscopy. Surprisingly, at T < 20 K, which is far below the first excited crystal-field level at 200 K, a change in linear dichroism was observed that cannot be accounted for by population of crystal-field states. Adding an exchange field to the ionic full multiplet calculations below 20 K leads to a splitting to the ground state doublet and modification of J{sub z} admixture, thus accounting for the change in low temperature linear dichroism. The direction of the required exchange field is parallel along c-axis for the antiferromagnetic Rh and Ir compounds, and perpendicular to c-axis for ferromagnetic CePtAl{sub 4}Si{sub 2}.

  3. Magnetic field controlled single crystal growth and surface modification of titanium alloys exposed for biocompatibility

    Science.gov (United States)

    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.

  4. Light field distribution of general function photonic crystals

    CERN Document Server

    Wu, Xiang-Yao; Liu, Xiao-Jing; Zhang, Si-Qi; Wang, Jing; Ba, Nuo; Xiao, Li; Li, Hong

    2012-01-01

    In this paper, We have presented a new general function photonic crystals (GFPCs), which refractive indexes are line functions of space position in two mediums $A$ and $B$, and obtain new results: (1) when the line function of refractive indexes is up or down, the transmissivity can be far larger or smaller than 1. (2) when the refractive indexes function increase or decrease along the direction of incident light, the light intensity should be magnified or weaken, which can be made optical magnifier or attenuator. (3) The GFPCs can be made optical diode when the light positive and negative incident the GFPCs.

  5. Scientists summit at Shanghai in the field of polymer crystallization

    Institute of Scientific and Technical Information of China (English)

    Wenbing HU

    2009-01-01

    @@ From Aug. 12 to 15 at Galaxy Hotel, Shanghai, more than 100 scientists and graduate students from macromolecular phy-sics, engineering and chemistry met together in the Interna-tional Discussion Meeting of Polymer Crystallization (IDMPC). The participants were coming from China, Japan, United States, Germany, England, France, Netherlands, Italy, Korea and Canada. The meeting was initiated by the Ministry of Education of China and European Physical Society, sponsored by the National Natural Science Foundation of China and Donghua University, and organized by the State Key Laboratory for Modification of Chemical Fibers and Chemical Materials.

  6. Reactions of (CF3)3BCO with amines and phosphines.

    Science.gov (United States)

    Finze, Maik; Bernhardt, Eduard; Willner, Helge; Lehmann, Christian W

    2006-01-23

    Reactions of tris(trifluoromethyl)borane carbonyl, (CF(3))(3)BCO, with ammonia yielded either a mixture of [NH(4)][(CF(3))(3)BC(O)NH(2)], [NH(4)][(CF(3))(3)BCN], and [NH(4)](2)[{(CF(3))(3)BC(O)}(2)NH] or neat [NH(4)](2)[{(CF(3))(3)BC(O)}(2)NH] depending on the reaction conditions. The salt K[(CF(3))(3)BC(O)NH(2)] was obtained as the sole product from the reaction of NH(3) with K[(CF(3))(3)BC(O)F]. A simple synthesis for cyanotris(trifluoromethyl)borates, M[(CF(3))(3)BCN], was developed by dehydration of M[(CF(3))(3)BC(O)NH(2)] (M = [NH(4)], K) using phosgene. In addition, syntheses of the tris(trifluoromethyl)boron species [(CF(3))(3)BC(O)NH(n)()Pr](-), [(CF(3))(3)BC(O)NMe(2)](-), and (CF(3))(3)BC(O)NMe(3), as well as of (CF(3))(3)BC(O)PMe(3), were performed. All species were characterized by multinuclear NMR spectroscopy. As far as neat substances resulted, IR and Raman spectra were recorded and their thermal behaviors were studied by differential scanning calorimetry. The interpretation of reaction pathways, structures, and vibrational spectra are supported by DFT calculations. The solid-state structure of K(2)[{(CF(3))(3)BC(O)}(2)NH].2MeCN was determined by single-crystal X-ray diffraction.

  7. Electric-field variations within a nematic-liquid-crystal layer.

    Science.gov (United States)

    Cummings, L J; Mema, E; Cai, C; Kondic, L

    2014-07-01

    A thin layer of nematic liquid crystal (NLC) across which an electric field is applied is a setup of great industrial importance in liquid crystal display devices. There is thus a large literature modeling this situation and related scenarios. A commonly used assumption is that an electric field generated by electrodes at the two bounding surfaces of the layer will produce a field that is uniform: that is, the presence of NLC does not affect the electric field. In this paper, we use calculus of variations to derive the equations coupling the electric potential to the orientation of the NLC's director field, and use a simple one-dimensional model to investigate the limitations of the uniform field assumption in the case of a steady applied field. The extension of the model to the unsteady case is also briefly discussed.

  8. Reorientation of single-wall carbon nanotubes in negative anisotropy liquid crystals by an electric field

    Directory of Open Access Journals (Sweden)

    Amanda García-García

    2016-06-01

    Full Text Available Single-wall carbon nanotubes (SWCNT are anisotropic nanoparticles that can cause modifications in the electrical and electro-optical properties of liquid crystals. The control of the SWCNT concentration, distribution and reorientation in such self-organized fluids allows for the possibility of tuning the liquid crystal properties. The alignment and reorientation of CNTs are studied in a system where the liquid crystal orientation effect has been isolated. Complementary studies including Raman spectroscopy, microscopic inspection and impedance studies were carried out. The results reveal an ordered reorientation of the CNTs induced by an electric field, which does not alter the orientation of the liquid crystal molecules. Moreover, impedance spectroscopy suggests a nonnegligible anchoring force between the CNTs and the liquid crystal molecules.

  9. Excess vibrational modes of a crystal in an external non-affine field

    Indian Academy of Sciences (India)

    SASWATI GANGULY; SURAJIT SENGUPTA

    2017-07-01

    Thermal displacement fluctuations in a crystal may be classified as either “affine” or “non-affine”. While the former couples to external stress with familiar consequences, the response of a crystal when nonaffine displacements are enhanced using the thermodynamically conjugate field, is relatively less studied. We examine this using a simple model of a crystal in two dimensions for which analytical calculations are possible. Enhancing non-affine fluctuations destabilises the crystal. The population of small frequency phonon modesincreases, with the phonon density of states shifting, as a whole, towards zero frequency. Even though the crystal is free of disorder, we observe growing length and time scales. Our results, which may have implications for the glass transition and structural phase transitions in solids, are compared to molecular dynamics simulations. Possibility of experimental verification of these results is also discussed.

  10. Reorientation of single-wall carbon nanotubes in negative anisotropy liquid crystals by an electric field

    Science.gov (United States)

    García-García, Amanda; Vergaz, Ricardo; Algorri, José F; Zito, Gianluigi; Cacace, Teresa; Marino, Antigone; Otón, José M

    2016-01-01

    Summary Single-wall carbon nanotubes (SWCNT) are anisotropic nanoparticles that can cause modifications in the electrical and electro-optical properties of liquid crystals. The control of the SWCNT concentration, distribution and reorientation in such self-organized fluids allows for the possibility of tuning the liquid crystal properties. The alignment and reorientation of CNTs are studied in a system where the liquid crystal orientation effect has been isolated. Complementary studies including Raman spectroscopy, microscopic inspection and impedance studies were carried out. The results reveal an ordered reorientation of the CNTs induced by an electric field, which does not alter the orientation of the liquid crystal molecules. Moreover, impedance spectroscopy suggests a nonnegligible anchoring force between the CNTs and the liquid crystal molecules. PMID:27547599

  11. Tunable defect modes in 2D photonic crystals by means of external magnetic fields

    Energy Technology Data Exchange (ETDEWEB)

    Soltani Vala, A., E-mail: asoltani@tabrizu.ac.i [Physics Department, University of Tabriz, Tabriz (Iran, Islamic Republic of); Research Institute for Applied Physics and Astronomy, University of Tabriz, Tabriz (Iran, Islamic Republic of); Rezaei, B. [Research Institute for Applied Physics and Astronomy, University of Tabriz, Tabriz (Iran, Islamic Republic of); Kalafi, M. [Physics Department, University of Tabriz, Tabriz (Iran, Islamic Republic of); Research Institute for Applied Physics and Astronomy, University of Tabriz, Tabriz (Iran, Islamic Republic of)

    2010-07-15

    We investigate the tunable defect modes in 2D photonic crystal of silicon rods in air background in which one of the rods is replaced by ferrite material and an external static magnetic field is applied in the ferrite rod direction. Using the supercell method, the dependence of E-polarized defect modes on the magnetic field has been reported.

  12. Spin-orbit qubits of rare-earth-metal ions in axially symmetric crystal fields.

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    2016-09-12

    AFRL-RX-WP-JA-2017-0209 TWO BEAM ENERGY EXCHANGE IN HYBRID LIQUID CRYSTAL CELLS WITH PHOTOREFRACTIVE FIELD CONTROLLED BOUNDARY...DATES COVERED (From - To) 29 August 2016 Interim 26 October 2015 – 29 July 2016 4. TITLE AND SUBTITLE TWO BEAM ENERGY EXCHANGE IN HYBRID LIQUID... energy gain when two light beams intersect in a hybrid nematic liquid crystal (LC) cell with photorefractive crystalline substrates. A periodic space

  14. Liquid crystal cell design of VGA field sequential color LCoS display

    Science.gov (United States)

    Liu, Yanyan; Geng, Weidong; Dai, Yongping

    2009-07-01

    The design of liquid crystal cell is an important factor to determine the display quality of LCoS display device. The goal of this paper is to gain VGA field sequential color (FSC) LCoS device used for near-to-eye system. The characteristics of optics and electrooptics for the twist nematic liquid crystal material and the material requirements of the FSC LCoS were studied. The LCOS liquid crystal cell optimized by dynamic parameter space method had an uniform reflectivity (about 90%) for the light with wave length from 450nm to 650nm. Both considering the electrooptic response curve of liquid crystal and the relationship between the contrast ratio and pixel size, we determined to use high speed twist nematic liquid crystal working in normally white mode. The liquid crystal cell gap and the pixel size were determined as 2.5um and 12um, respectively. The VGA FSC LCoS device was fabricated with SMIC 0.35um CMOS process and filled with LC-A liquid crystal of Merck in Varitronix. The measurement showed that the response time of liquid crystal from light to dark was 1.8ms and from dark to light was 4.4ms. The contrast ratio is bigger than 50:1. The LCoS displays well.

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

    Science.gov (United States)

    Ankudinov, V. E.; Galenko, P. K.; Kropotin, N. V.; Krivilyov, M. D.

    2016-02-01

    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 cylindrical 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.

  16. Semiconductor crystal growth in crossed electric and magnetic fields: Center Director's Discretionary Fund

    Science.gov (United States)

    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.

  17. Random crystal field effect on the magnetic and hysteresis behaviors of a spin-1 cylindrical nanowire

    Science.gov (United States)

    Zaim, N.; Zaim, A.; Kerouad, M.

    2017-02-01

    In this work, the magnetic behavior of the cylindrical nanowire, consisting of a ferromagnetic core of spin-1 atoms surrounded by a ferromagnetic shell of spin-1 atoms is studied in the presence of a random crystal field interaction. Based on Metropolis algorithm, the Monte Carlo simulation has been used to investigate the effects of the concentration of the random crystal field p, the crystal field D and the shell exchange interaction Js on the phase diagrams and the hysteresis behavior of the system. Some characteristic behaviors have been found, such as the first and second-order phase transitions joined by tricritical point for appropriate values of the system parameters, triple and isolated critical points can be also found. Depending on the Hamiltonian parameters, single, double and para hysteresis regions are explicitly determined.

  18. Dissociative scattering of hyperthermal energy CF3+ ions from modified surfaces.

    Science.gov (United States)

    Rezayat, Talayeh; Shukla, Anil

    2007-02-28

    Dissociative scattering of CF3+ ions in collision with a self-assembled monolayer surface of fluorinated alkyl thiol on a gold 111 crystal has been studied at low ion kinetic energies (from 29 to 159 eV) using a custom built tandem mass spectrometer with a rotatable second stage energy analyzer and mass spectrometer detectors. Energy and intensity distributions of the scattered fragment ions were measured as a function of the fragment ion mass and scattering angle. Inelastically scattered CF3+ ions were not observed even at the lowest energy studied here. All fragment ions, CF2+, CF+, F+, and C+, were observed at all energies studied with the relative intensity of the highest energy pathway, C+, increasing and that of the lowest energy pathway, CF2+, decreasing with collision energy. Also, the dissociation efficiency of CF3+ decreased significantly as the collision energy was increased to 159 eV. Energy distributions of all fragment ions from the alkyl thiol surface showed two distinct components, one corresponding to the loss of nearly all of the kinetic energy and scattered over a broad angular range while the other corresponding to smaller kinetic energy losses and scattered closer to the surface parallel. The latter process is due to delayed dissociation of collisionally excited ions after they have passed the collision region as excited parent ions. A similar study performed at 74 eV using a LiF coated surface on a titanium substrate resulted only in one process for all fragment ions; corresponding to the delayed dissociation process. The intensity maxima for these fragmentation processes were shifted farther away from the surface parallel compared to the thiol surface. A new mechanism is proposed for the delayed dissociation process as proceeding via projectile ions' neutralization to long-lived highly excited Rydberg state(s), reionization by the potential field between the collision region and entrance to the energy analyzer, and subsequent dissociation

  19. Crystal fields of Pr sup 3 sup + in LiYF sub 4 under pressure

    CERN Document Server

    Tröster, T

    2003-01-01

    Fluorescence spectra of LiYF sub 4 :Pr sup 3 sup + have been measured between 12,000 and 22,000 cm sup - sup 1 under pressures up to 10 GPa. In total, 25 crystal field energy levels were obtained and used for the determination of free-ion and crystal field parameters under pressure. According to the nephelauxetic effect, the free-ion parameters decrease with increasing pressure. The relative decrease is larger for the Slater than for the spin-orbit coupling parameter. This behavior is consistent with former studies on Pr sup 3 sup + in different crystals and can be explained by a special covalency model. According to an effective D sub 2 sub d symmetry, five crystal field parameters B sub 0 sup 2 (f,f), B sub 0 sup 4 (f,f), B sub 4 sup 4 (f,f), B sub 0 sup 6 (f,f), and B sub 4 sup 6 (f,f) are non-zero. The pressure-induced changes of these parameters have been determined up to the maximum pressure of 10 GPa. In order to improve the calculation of the crystal field levels, the configuration interactions with t...

  20. Zero-field nuclear magnetic resonance of a nematic liquid crystal

    Energy Technology Data Exchange (ETDEWEB)

    Thayer, A.M.; Millar, J.M.; Luzar, M.; Jarvie, T.P.; Pines, A.

    1986-04-10

    The molecular order parameter of CH/sub 2/Cl/sub 2/ in a nematic liquid crystal was measured by using a version of zero-field NMR employing pulsed dc magnetic fields. Spectral frequencies and intensities are shown to reflect the ordering on a molecular and macroscopic scale, respectively. Samples oriented in high magnetic field did not significantly change their state of alignment during the time scale of the field cycle. Zero-field measurements of the order parameter yielded values within experimental error of those measured in high field. A zero-field echo experiment was performed to decrease the effect of residual fields on line width. Dipolar order was created in zero field by using a pulsed dc field analogue of the Jeener-Brokaert experiment. 26 references, 8 figures.

  1. An optimized intermolecular force field for hydrogen-bonded organic molecular crystals using atomic multipole electrostatics

    Science.gov (United States)

    Pyzer-Knapp, Edward O.; Thompson, Hugh P. G.; Day, Graeme M.

    2016-01-01

    We present a re-parameterization of a popular intermolecular force field for describing intermolecular interactions in the organic solid state. Specifically we optimize the performance of the exp-6 force field when used in conjunction with atomic multipole electrostatics. We also parameterize force fields that are optimized for use with multipoles derived from polarized molecular electron densities, to account for induction effects in molecular crystals. Parameterization is performed against a set of 186 experimentally determined, low-temperature crystal structures and 53 measured sublimation enthalpies of hydrogen-bonding organic molecules. The resulting force fields are tested on a validation set of 129 crystal structures and show improved reproduction of the structures and lattice energies of a range of organic molecular crystals compared with the original force field with atomic partial charge electrostatics. Unit-cell dimensions of the validation set are typically reproduced to within 3% with the re-parameterized force fields. Lattice energies, which were all included during parameterization, are systematically underestimated when compared with measured sublimation enthalpies, with mean absolute errors of between 7.4 and 9.0%. PMID:27484370

  2. Crystal field of Dy in non-magnetic metals

    NARCIS (Netherlands)

    Kikkert, Pieter Jan Willem

    1980-01-01

    Many investigations carried out during the last 15 years have demonstrated that the crystalline electric field (CEF) has a great influence on the low temperature magnetic behaviour of rare earth ions in metallic systems (see e.g. /1/) . It is therefore important to understand the origin of the CEF i

  3. Relation between stabilization energy, crystal field coefficient and themagnetic exchange interaction for Tb3+ ion

    Institute of Scientific and Technical Information of China (English)

    ZHANG Xiangmu; MA Wenjuan; CUI Shuwen; WANG Lihua

    2006-01-01

    Based on a single ion model, Hamiltonian of the simplest form about magnetocrystalline anisotropy for Tb3+ ion was solved by using the numerical method. The relation between the stabilization energy, crystal field coefficient B20 and the magnetic exchange interaction was studied as temperature approaches to 0K. The results show that the stabilization energy contributed by Tb3+ is linear with crystal field coefficient B20 approximately, but it is insensitive to the change of magnetic exchange interaction for the strong magnetic substancessuch as TbCo5, Tb2Co17 and Tb2Fe14B compounds.

  4. Organic single crystals or crystalline micro/nanostructures: Preparation and field-effect transistor applications

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Organic single crystals hold great promise for the development of organic semiconductor materials,because they could reveal the intrinsic electronic properties of these materials,providing high-performance electronic devices and probing the structureproperty relationships.This article reviews the preparation methods for organic single crystals or crystalline micro/nanostructures,including vapor phase growth methods and solution-processed methods,and summarizes a few methods employed in the fabrication of field-effect transistors along with dozens of examples concerning both small molecules and polymers with high field-effect performance.

  5. Electric field-induced optical second harmonic generation in nematic liquid crystal 5CB

    Science.gov (United States)

    Torgova, S. I.; Shigorin, V. D.; Maslyanitsyn, I. A.; Todorova, L.; Marinov, Y. G.; Hadjichristov, G. B.; Petrov, A. G.

    2014-12-01

    Electric field-induced second harmonic generation (EFISH) was studied for the liquid crystal 4-cyano-4'-pentylbiphenyl (5CB) (a nematic phase material at room temperature). The intensity of coherent SHG from 5CB cells upon DC electric field was measured for various initial orientations of the liquid crystal. The dependence of the SHG intensity on the pump beam incidence angle was obtained in transmission geometry using sample rotation method. The experimental results (the registered light intensity in the output SHG interference patterns) were theoretically modelled and analyzed.

  6. Crystal field and magnetism with Wannier functions:rare-earth doped aluminum garnets

    Institute of Scientific and Technical Information of China (English)

    Eva Mihóková; Pavel Novák; Valentin V. Laguta

    2015-01-01

    Using the recently developed method we calculated the crystal field parameters in yttrium and lutetium aluminum garnets doped with seven trivalent Kramers rare-earth ions. We then inserted calculated parameters into the atomic-like Hamiltonian taking into account the electron-electron, spin-orbit and Zeeman interactions and determined the multiplet splitting by the crystal field as well as magneticĝ tensors. We compared calculated results with available experimental data. Very good agreement with the spectro-scopic data and qualitative agreement with experimentalĝ tensors was found.

  7. A single-gap transflective liquid crystal driven by fringe and vertical electric fields

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Young Jin; Chin, Mi Hyung; Kim, Jin Ho; Her, Jung Hwa; Lee, Seung Hee [Polymer BIN Fusion Research Center, Department of Polymer Nano-Science and Technology, Chonbuk National University, Chonju, Chonbuk 561-756 (Korea, Republic of); Jin, Hyun Suk; Kim, Byeong Koo, E-mail: lsh1@chonbuk.ac.k [Mobile Product Development Department, LG Display Co., Ltd., Gumi, Gyungbuk 730-350 (Korea, Republic of)

    2009-07-21

    A single-gap transflective liquid-crystal display driven by a fringe electric field in the transmissive (T) region and a vertical electric field in the reflective (R) region was designed. In the device, a homogeneously aligned liquid crystal (LC) rotates almost in plane by a fringe field in the T-region whereas the LC tilts upwards by a vertical field in the R-region. A high surface pre-tilt angle of the LC in the R-region is achieved through polymerization of an UV curable reactive mesogen monomer at the surfaces and thus the effective cell retardation in the R-region becomes half of that in the T-region. Consequently, a transflective display driven by a vertical and a fringe electric field with a single cell gap and single gamma curves is realized.

  8. Striations in CZ silicon crystals grown under various axial magnetic field strengths

    Science.gov (United States)

    Kim, K. M.; Smetana, P.

    1985-10-01

    Inhibition of fluid flow instabilities in the melt by the axial magnetic field in Czochralski silicon crystal growth (AMCZ) is investigated precisely by a high-sensitivity striation etch in conjunction with temperature measurements. The magnetic field strength (B) was varied up to 4.0 kG, incremented mostly in 0.5-kG/2.5-cm crystal length. The convection flow was substantially suppressed at B greater than or equal to 1.0 kG. A low oxygen level of 2-3 ppm and a high resistivity of 400 ohm-cm is achieved in the AMCZ silicon crystals at B greater than or equal to 1.0 kG. Random striations at B = O, characteristic of turbulent convection, assumed progressively a periodicity, indicative of oscillatory convection at B from 0.35-4.0 kG. The striation contrast or 'intensity' decreased steadily with the increase in B. At B = 4 kG, most of the crystal was free of striations, although some weak, localized periodic striations persisted near the crystal periphery. Spreading-resistance measurement shows, however, a uniform dopant distribution in all crystal sections grown at B from 0.35-4.0 kG within a few percent.

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

    Science.gov (United States)

    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

  10. Dark-field transmission electron microscopy of cortical bone reveals details of extrafibrillar crystals.

    Science.gov (United States)

    Schwarcz, Henry P; McNally, Elizabeth A; Botton, Gianluigi A

    2014-12-01

    In a previous study we showed that most of the mineral in bone is present in the form of "mineral structures", 5-6nm-thick, elongated plates which surround and are oriented parallel to collagen fibrils. Using dark-field transmission electron microscopy, we viewed mineral structures in ion-milled sections of cortical human bone cut parallel to the collagen fibrils. Within the mineral structures we observe single crystals of apatite averaging 5.8±2.7nm in width and 28±19nm in length, their long axes oriented parallel to the fibril axis. Some appear to be composite, co-aligned crystals as thin as 2nm. From their similarity to TEM images of crystals liberated from deproteinated bone we infer that we are viewing sections through platy crystals of apatite that are assembled together to form the mineral structures.

  11. Analyses of crystal field and exchange interaction of Dy3Ga5O12 under extreme conditions

    Institute of Scientific and Technical Information of China (English)

    Wang Wei; Qi Xin; Yue Yuan

    2011-01-01

    This paper theoretically investigates the effects of crystal field and exchange interaction field on magnetic properties in dysprosium gallium garnet under extreme conditions (low temperatures and high magnetic fields) based on quantum theory. Here, five sets of crystal field parameters are discussed and compared. It demonstrates that, only considering the crystal field effect, the experiments can not be successfully explained. Thus, referring to the molecular field theory,an effective exchange field associated with the Dy-Dy exchange interaction is further taken into account. Under special consideration of crystal field and the exchange interaction field, it obtains an excellent agreement between the theoretical results and experiments, and further confirms that the exchange interaction field between rare-earth ions has great importance to magnetic properties in paramagnetic rare-earth gallium garnets.

  12. Electric-field-induced weakly chaotic transients in ferroelectric liquid crystals

    Science.gov (United States)

    Śliwa, I.; JeŻewski, W.; Kuczyński, W.

    2016-01-01

    Nonlinear dynamics induced in surface stabilized ferroelectric liquid crystals by strong alternating external electric fields is studied both theoretically and experimentally. As has already been shown, molecular reorientations induced by sufficiently strong fields of high-enough frequencies can reveal a long transient behavior that has a weakly chaotic character. The resulting complex dynamics of ferroelectric liquid crystals can be considered not only as a consequence of irregular motions of particular molecules but also as a repercussion of a surface-enforced partial decorrelation of nonlinear molecular motions within smectic layers. To achieve more insight into the nature of this phenomenon and to show that the underlying complex field-induced behavior of smectic liquid crystals is not exceptional, ranges of system parameters for which the chaotic behavior occurs are determined. It is proved that there exists a large enough set of initial phase trajectory points, for which weakly chaotic long-time transitory phenomena occur, and, thereby, it is demonstrated that such a chaotic behavior can be regarded as being typical for strongly field-driven thin liquid crystal systems. Additionally, the influence of low-amplitude random noise on the duration of the transient processes is numerically studied. The strongly nonlinear contribution to the electro-optic response, experimentally determined for liquid crystal samples at frequencies lower than the actual field frequency, is also analyzed for long-time signal sequences. Using a statistical approach to distinguish numerically response signals of samples from noise generated by measuring devices, it is shown that the distribution of sample signals distinctly differs from the device noise. This evidently corroborates the occurrence of the nonlinear low-frequency effect, found earlier for different surface stabilized liquid crystal samples.

  13. Electric-field-induced weakly chaotic transients in ferroelectric liquid crystals.

    Science.gov (United States)

    Śliwa, I; Jeżewski, W; Kuczyński, W

    2016-01-01

    Nonlinear dynamics induced in surface stabilized ferroelectric liquid crystals by strong alternating external electric fields is studied both theoretically and experimentally. As has already been shown, molecular reorientations induced by sufficiently strong fields of high-enough frequencies can reveal a long transient behavior that has a weakly chaotic character. The resulting complex dynamics of ferroelectric liquid crystals can be considered not only as a consequence of irregular motions of particular molecules but also as a repercussion of a surface-enforced partial decorrelation of nonlinear molecular motions within smectic layers. To achieve more insight into the nature of this phenomenon and to show that the underlying complex field-induced behavior of smectic liquid crystals is not exceptional, ranges of system parameters for which the chaotic behavior occurs are determined. It is proved that there exists a large enough set of initial phase trajectory points, for which weakly chaotic long-time transitory phenomena occur, and, thereby, it is demonstrated that such a chaotic behavior can be regarded as being typical for strongly field-driven thin liquid crystal systems. Additionally, the influence of low-amplitude random noise on the duration of the transient processes is numerically studied. The strongly nonlinear contribution to the electro-optic response, experimentally determined for liquid crystal samples at frequencies lower than the actual field frequency, is also analyzed for long-time signal sequences. Using a statistical approach to distinguish numerically response signals of samples from noise generated by measuring devices, it is shown that the distribution of sample signals distinctly differs from the device noise. This evidently corroborates the occurrence of the nonlinear low-frequency effect, found earlier for different surface stabilized liquid crystal samples.

  14. Decomposition of Potent Greenhouse Gases SF6, CF4 and SF5CF3 by Dielectric Barrier Discharge

    Science.gov (United States)

    Zhang, Renxi; Wang, Jingting; Cao, Xu; Hou, Huiqi

    2016-04-01

    For their distinguished global warming potential (GWP100) and long atmosphere lifespan, CF4, SF6 and SF5CF3 were significant in the field of greenhouse gas research. The details of discharging character and the optimal parameter were discussed by using a Dielectric Barrier Discharge (DBD) reactor to decompose these potent greenhouse gases in this work. The results showed that SF6 could be decomposed by 92% under the conditions of 5 min resident time and 3000 V applied voltage with the partial pressure of 2.0 kPa, 28.2 kPa, and 1.8 kPa for SF6, air and water vapor, respectively. 0.4 kPa CF4 could be decomposed by 98.2% for 4 min resident time with 30 kPa Ar added. The decomposition of SF5CF3 was much more effective than that of SF6 and CF4 and moreover, 1.3 kPa SF5CF3, discharged with 30 kPa O2, Ar and air, could not be detected when the resident time was 80 s, 40 s, and 120 s, respectively. All the results indicated that DBD was a feasible technique for the abatement of potent greenhouse gases. supported by National Natural Science Foundation of China (Nos. 20507004, 21577023)

  15. Theoretical calculations of spin-Hamiltonian parameters for the square planer CuCl4 2 - cluster in Cs2ZrCl6 crystal

    Science.gov (United States)

    Liu, Gang; Mei, Yang; Zhang, Xin-Xin; Zheng, Wen-Chen

    2015-05-01

    The high-order perturbation formulas based on a two-mechanism model (where in addition to the contributions from the crystal-field (CF) mechanism in the usually-applied CF theory, those from the generally-neglected charge-transfer (CT) mechanism are also contained) are employed to calculate the spin-Hamiltonian parameters (g factors g//, g⊥ and the hyperfine structure constants A//, A⊥) of the square planar CuCl4 2 - clusters in Cs2ZrCl6 crystal. The needed CF energy levels in the calculations are obtained from the observed optical spectra. The calculated results show reasonable agreement with the experimented values. The negative sign of A// and positive sign of A⊥ are proposed from the calculations. The calculations also suggest that one should take account of the contributions due to both the CF and CT mechanisms for the exact and rational calculations of spin-Hamiltonian parameters of Cu2+-Cl- combination in crystals.

  16. Deformations of charge-density wave crystals under electric field

    Energy Technology Data Exchange (ETDEWEB)

    Pokrovskii, V.Ya. [Kotel' nikov Institute of Radioengineering and Electronics of RAS, Mokhovaya 11, 125009 Moscow (Russian Federation)], E-mail: pok@cplire.ru; Zybtsev, S.G.; Loginov, V.B. [Kotel' nikov Institute of Radioengineering and Electronics of RAS, Mokhovaya 11, 125009 Moscow (Russian Federation); Timofeev, V.N. [Baikov Institute of Metallurgy of RAS, Leninsky prosp. 49, 119991 Moscow (Russian Federation); Kolesov, D.V.; Yaminsky, I.V. [Advanced Technologies Center, Department of Physics, Moscow State University, Leninskie Gori, 119991 Moscow (Russian Federation); Gorlova, I.G. [Kotel' nikov Institute of Radioengineering and Electronics of RAS, Mokhovaya 11, 125009 Moscow (Russian Federation)

    2009-03-01

    We report the effects of electric field induced deformations of quasi one-dimensional conductors with charge-density wave (CDW). The most pronounced sort of deformation is torsional strain (TS). The TS is found to comprise two contributions. The features of the 1st-the larger one-are threshold hysteretic dependence on electric field and high relaxation time {tau}: For o-TaS{sub 3}{tau}{approx}10{sup -2} s at T=80 K and falls as exp(900 K/T) with increasing T. The 2nd contribution is linear in electric field and does not drop with frequency increase. The amplitude of this contribution falls abruptly with T approaching the Peierls transition temperature T{sub P} from below. Similar features of TS are demonstrated for other CDW compounds: (TaSe{sub 4}){sub 2}I, K{sub 0.3}MoO{sub 3} and NbS{sub 3} type II, for which T{sub P}{approx}360 K. We attribute the 1st and the 2nd contributions to large (hysteretic) and small (near-equilibrium) CDW deformations, respectively, likely-shear at the surface. The TS is observed also above T{sub P}: For TaS{sub 3} and (TaSe{sub 4}){sub 2}I typical torsional amplitude is 10{sup -1} deg./V in the resonance regimes, corresponding to the piezomodulus {approx}10{sup -9} m/V. A separate study of TS was performed at room temperature with AFM technique. Apart from this ('intrinsic') effect, we observe electrostatic contribution to the TS. In contrast to the intrinsic response, the electrostatic one is proportional to the potential either over the sample, or over an additional electrode ('gate') placed nearby, but not to the difference of potentials between the sample ends. It is typically 2 orders of magnitude less. The intrinsic TS reveals a new electromechanical effect at room temperature, presumably associated with the excitations of the pinned mode of the CDW fluctuations. Its observation opens prospects for application of quasi one-dimensional conductors as micro- and nano-actuators. Basing on the electrostatic

  17. Dependence of image flicker on dielectric anisotropy of liquid crystal in a fringe field switching liquid crystal cell

    Science.gov (United States)

    Oh, Seung-Won; Baek, Jong-Min; Kim, Jung-Wook; Yoon, Tae-Hoon

    2016-09-01

    Two types of image flicker, which are caused by the flexoelectric effect of liquid crystals (LCs), are observed when a fringe-field switching (FFS) LC cell is driven by a low frequency electric field. Static image flicker, observed because of the transmittance difference between neighboring frames, has been reported previously. On the other hand, research on dynamic image flicker has been minimal until now. Dynamic image flicker is noticeable because of the brief transmittance drop when the sign of the applied voltage is reversed. We investigated the dependence of the image flicker in an FFS LC cell on dielectric anisotropy of the LCs in terms of both the static and dynamic flicker. Experimental results show that small dielectric anisotropy of the LC can help suppress not only the static but also dynamic flicker for positive LCs. We found that both the static and dynamic flicker in negative LCs is less evident than in positive LCs.

  18. Cystic Fibrosis (CF): Chloride Sweat Test

    Science.gov (United States)

    ... Old Feeding Your 1- to 2-Year-Old Cystic Fibrosis (CF) Chloride Sweat Test KidsHealth > For Parents > Cystic Fibrosis (CF) Chloride Sweat Test Print A A A ... It Is A chloride sweat test helps diagnose cystic fibrosis (CF) , an inherited disorder that makes kids sick ...

  19. Electric Field-Controlled Crystallizing CaCO3 Nanostructures from Solution.

    Science.gov (United States)

    Qi, Jian Quan; Guo, Rui; Wang, Yu; Liu, Xuan Wen; Chan, Helen Lai Wah

    2016-12-01

    The role of electric field is investigated in determining the structure, morphology, and crystallographic characteristics of CaCO3 nanostructures crystallized from solution. It is found that the lattice structure and crystalline morphology of CaCO3 can be tailed by the electric field applied to the solution during its crystallization. The calcite structure with cubic-like morphology can be obtained generally without electric field, and the vaterite structure with the morphology of nanorod is formed under the high electric field. The vaterite nanorods can be piled up to the petaliform layers. Both the nanorod and the petaliform layer can have mesocrystal structures which are piled up by much fine units of the rods with the size of several nanometers. Beautiful rose-like nanoflowers can be self-arranged by the petaliform layers. These structures can have potential application as carrier for medicine to involve into metabolism of living cell.

  20. Crystal fields of dilute Tb, Dy, or Er in Sc obtained by magnetization measurements

    DEFF Research Database (Denmark)

    Høg, J.; Touborg, P.

    1976-01-01

    Crystal-field parameters for dilute Sc-Tb, Sc-Dy, and Sc-Er alloys have been obtained by fitting theoretical expressions to the experimentally measured paramagnetic susceptibility. The initial susceptibility was measured and corrected for the effects of ordering at the lowest temperatures in the ...

  1. Tuning the Colloidal Crystal Structure of Magnetic Particles by External Field

    NARCIS (Netherlands)

    Pal, Antara; Malik, Vikash; He, Le; Erne, Ben H.; Yin, Yadong; Kegel, Willem K.; Petukhov, A. V.

    2015-01-01

    Manipulation of the self-assembly of magnetic colloidal particles by an externally applied magnetic field paves a way toward developing novel stimuli responsive photonic structures. Using microradian X-ray scattering technique we have investigated the different crystal structures exhibited by self-a

  2. Ambipolar Cu- and Fe-phthalocyanine single-crystal field-effect transistors

    NARCIS (Netherlands)

    De Boer, R.W.I.; Stassen, A.F.; Craciun, M.F.; Mulder, C.L.; Molinari, A.; Rogge, S.; Morpurgo, A.F.

    2005-01-01

    We report the observation of ambipolar transport in field-effect transistors fabricated on single crystals of copper- and iron-phthalocyanine, using gold as a high work-function metal for the fabrication of source and drain electrodes. In these devices, the room-temperature mobility of holes reaches

  3. Reproducible low contact resistance in rubrene single-crystal field-effect transistors with nickel electrodes

    NARCIS (Netherlands)

    Hulea, I.N.; Russo, S.; Molinari, A.; Morpurgo, A.F.

    2006-01-01

    We have investigated the contact resistance of rubrene single-crystal field-effect transistors (FETs) with nickel electrodes by performing scaling experiments on devices with channel length ranging from 200 nm up to 300 μm. We find that the contact resistance can be as low as 100 Ω cm with narrowly

  4. Bias-dependent contact resistance in rubrene single-crystal field-effect transistors

    NARCIS (Netherlands)

    Molinari, A.; Gutiérrez, I.; Hulea, I.N.; Russo, S.; Morpurgo, A.F.

    2007-01-01

    The authors report a systematic study of the bias-dependent contact resistance in rubrene single-crystal field-effect transistors with Ni, Co, Cu, Au, and Pt electrodes. They show that the reproducibility in the values of contact resistance strongly depends on the metal, ranging from a factor of 2 f

  5. Ambipolar Cu- and Fe-phthalocyanine single-crystal field-effect transistors

    NARCIS (Netherlands)

    De Boer, R.W.I.; Stassen, A.F.; Craciun, M.F.; Mulder, C.L.; Molinari, A.; Rogge, S.; Morpurgo, A.F.

    2005-01-01

    We report the observation of ambipolar transport in field-effect transistors fabricated on single crystals of copper- and iron-phthalocyanine, using gold as a high work-function metal for the fabrication of source and drain electrodes. In these devices, the room-temperature mobility of holes reaches

  6. Effect of electrical field on crystallization and ferroelectric properties of Ge:Sb:Te films

    Energy Technology Data Exchange (ETDEWEB)

    Gervacio Arciniega, J.J.; Prokhorov, E.; Espinoza Beltran, F.J.; Trapaga Martinez, L.G. [CINVESTAV, Unidad Queretaro (Mexico); Gonzalez-Hernandez, J. [Centro de Investigacion en Materiales Avanzados, S.C. and Laboratorio Nacional de Nanotecnologia, Chihuahua (Mexico)

    2011-11-15

    In this work impedance spectroscopy has been used to investigate of the NaCl type-hexagonal transition in stoichiometric Ge{sub 2}Sb{sub 2}Te{sub 5} and in non-stoichiometric (Ge{sub 24}Sb{sub 15}Te{sub 61}) films. The temperature dependence of capacitance in all films shows an abrupt change (about 4-6 times) at the temperature corresponding to the end of the NaCl type-hexagonal transition. Additional, impedance measurements were carried out in films which have been crystallized with an external DC electric field. Comparing the results in the films crystallized with and without the external electric field, it is observed that in films crystallized with an external electric field, the capacitance increases during the NaCl type-hexagonal transition for about 9-15 times and that the piezoresponse force microscopy measurements have shown ferroelectric domains in the NaCl type phase. External electrical field changes significantly the onset of amorphous-NaCl type crystallization temperature which could be related with an increase in atomic diffusion, promoting the growth of the crystalline phase. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  7. Capability of the free-ion eigenstates for crystal-field splitting

    CERN Document Server

    Mulak, Jacek

    2011-01-01

    Any electron eigenstate |\\Psi>of the paramagnetic ion open-shell is characterized by the three independent multipole asphericities A_{k}= for k=2,4 and 6 related to the second moments of the relevant crystal-field splittings by \\sigma_{k}^{2}=]A_{k}^{2}S_{k}^{2}, where S_{k}^{2}=]\\sum_{q}|B_{kq}|^{2}. The A_{k} can serve as a reliable measure of the state |\\Psi>capability for the splitting produced by the k-rank component of the crystal-field Hamiltonian and allow one to verify any fitted crystal-field parameter set directly comparing the calculated and the experimental second moments of the relevant crystal-field splittings. We present the multipole characteristics A_{k} for the extensive set of eigenstates from the lower parts of energy spectra of the tripositive 4f^{N} ions applying in the calculations the advanced eigenfunctions of the free lanthanide ions obtained based on the M. Reid f-shell programs. Such amended asphericities are compared with those achieved for the simplified Russell-Saunders states....

  8. Near-field imaging of out-of-plane light scattering in photonic crystal slabs

    DEFF Research Database (Denmark)

    Volkov, Valentyn; Bozhevolnyi, Sergey; Taillaert, Dirk

    2003-01-01

    A collection scanning near-field optical microscope (SNOM) is used to image the propagating of light at telecommunication wavelengths (1520-1570 nm) along photonic crystal (PC) slabs, which combine slab waveguides with in-plane PCs consisting of one- and two-dimensional gratings. The efficient out...

  9. Magnetic-Field-Induced Weak Order in Nematic Liquid Crystals Formed by Biaxial Molecules

    Institute of Scientific and Technical Information of China (English)

    ZHANG Zhi-Dong; ZHANG De-Xian; SUN Yu-Bao

    2000-01-01

    Nematic liquid crystal system of interacting biaxial particles via dispersion forces is studied. The molecular orienting potential form in a magnetic field is given for the first time. Weakly ordered isotropic phase is treated in the two-particle cluster approximation. Taking account of the molecular biaxiality, it is found that the ratio of the lowest supercooling temperature T* to the nematic-isotropic phase transition temperature TC approaches the observed value, and the validity of the mean field theory is clarified.

  10. Bridging the terahertz near-field and far-field observations of liquid crystal based metamaterial absorbers

    Science.gov (United States)

    Wang, Lei; Ge, Shijun; Chen, Zhaoxian; Hu, Wei; Lu, Yanqing

    2016-09-01

    Metamaterial-based absorbers play a significant role in applications ranging from energy harvesting and thermal emitters to sensors and imaging devices. The middle dielectric layer of conventional metamaterial absorbers has always been solid. Researchers could not detect the near field distribution in this layer or utilize it effectively. Here, we use anisotropic liquid crystal as the dielectric layer to realize electrically fast tunable terahertz metamaterial absorbers. We demonstrate strong, position-dependent terahertz near-field enhancement with sub-wavelength resolution inside the metamaterial absorber. We measure the terahertz far-field absorption as the driving voltage increases. By combining experimental results with liquid crystal simulations, we verify the near-field distribution in the middle layer indirectly and bridge the near-field and far-field observations. Our work opens new opportunities for creating high-performance, fast, tunable, terahertz metamaterial devices that can be applied in biological imaging and sensing. Project supported by the National Basic Research Program of China (Grant No. 2012CB921803), the National Natural Science Foundation of China (Grants Nos. 61225026, 61490714, 11304151, and 61435008), the Natural Science Foundation of Jiangsu Province, China (Grant Nos. BK20150845 and 15KJB140004), the Open Foundation Project of National Laboratory of Solid State Microstructures, China (Grant No. M28003), and the Research Center of Optical Communications Engineering & Technology, Jiangsu Province, China.

  11. Effect of non-uniform magnetic field on crystal growth by floating-Zone method in microgravity

    Institute of Scientific and Technical Information of China (English)

    LI; Kai(

    2001-01-01

    [1]Markov, E. V., Antropov, V. Yu, Biryukov, V. M. et al., Space materials for microelectronics, in Proceedings of the Joint Xth European and VIth Russian Symposium on Physical Sciences in Microgravity, St. Petersburg, Russia (eds. Av-duyevsky, V. S., Polezhaev, V. I.), Moscow: RAS, 1997, Vol. 2, 11-20.[2]Croll, A., Dold, P., Benz, K. W., Segregation in Si floating-zone crystals grown under microgravity and in a magnetic field, J. Crystal Growth, 1994, 137: 95-101.[3]Leon de, N., Guldberg, J., Sailing, J. , Growth of homogeneous high resistivity FZ silicon crystals under magnetic field bias, J. Crystal Growth, 1981, 55: 406-408.[4]Robertson, D. G., O' connor Jr., D. J., Magnetic field effects on float-zone Si crystal growth: strong axial fields, J. Crystal Growth, 1986, 76: 111-122.[5]Series, R. W., Hurle, D. T. J., The use of magnetic field in semiconductor crystal growth, J. Crystal Growth, 1991, 113:305-328.[6]Lan, C. W. , Effect of axisymmetric magnetic fields on radial dopant segregation of floating-zone silicon growth in a mirror fur-nace, J. Crystal Growth, 1996, 169: 269-278.[7]Li, K., Hu, W. R. , Numerical simulation of magnetic field design for damping thermocapillary convection in a floating half zone, J. Crystal Growth, 2001, 222: 677-684.[8]Li. K., Hu, W. R., Magnetic design for crystal growth, 3rd International Workshop on Modeling in Crystal Growth, New York, USA, 2000, to be published in J. Crystal Growth.[9]Patankar, S. V., Advanced Computational Heat Transfer and Fluid Flow, Graduate Student Course 8352 of Mechanical Engi-neering Department at Univ. of Minnesota, USA.

  12. Electrical properties and electrical field in depletion layer for CZT crystals

    Institute of Scientific and Technical Information of China (English)

    LI Qiang; JIE Wan-qi; FU Li; YANG Ge; ZHA Gang-qiang; WANG Tao; BAI Xu-xu

    2006-01-01

    Current—voltage (I—V) and capacitance-voltage (C—V) characteristics of Au/p-CZT contacts with different surface treatments on cadmium zinc telluride (CZT) wafer's surface were measured with Agilent 4339B high resistance meter and Agilent 4294A precision impedance analyzer,respectively. The Schottky barrier height was 0.85±0.05,0.96±0.05 eV for non-passivated and passivated CZT crystals by I—V measurement. By C—V measurement,the Schottky barrier height was 1.39±0.05,1.51±0.05 eV for non-passivated and passivated CZT crystals. The results show that the passivation treatment can increase the barrier height of the Au/p-CZT contact and decrease the leakage current. The main reason is that the higher barrier height of Au/p-CZT contacts can decrease the possibility for electrons to pass through the native TeO2 film. Most of the applied voltage appears on the depleted layer and there is only a negligible voltage drops across the nearly undepleted region. Furthermore,the electric field in the depleted layer is not uniform and can be calculated by the depletion approximation. The maximum electric field of CZT crystals is Em1=133 V/cm at x=0 for non-passivated CZT crystal and Em2=55 V/cm for passivated CZT crystal,respectively.

  13. Patterning technology for solution-processed organic crystal field-effect transistors

    Science.gov (United States)

    Li, Yun; Sun, Huabin; Shi, Yi; Tsukagoshi, Kazuhito

    2014-04-01

    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 recent development 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.

  14. Patterning technology for solution-processed organic crystal field-effect transistors

    Directory of Open Access Journals (Sweden)

    Yun Li

    2014-04-01

    Full Text Available 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 recent development 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.

  15. Ionization of Atoms and the Thomas-Fermi Model for the Electric Field in Crystal Planar Channels

    Institute of Scientific and Technical Information of China (English)

    LIU Ying-Tai; ZHANG Qi-Ren; GAO Chun-Yuan

    2002-01-01

    The electric field in the crystal planar channels is studied by the Thomas Fermi method. The Thomas-Fermi equation and the corresponding boundary conditions are derived for the crystal planar channels. The numericalsolution for the electric field in the channels between (110) planes of the single crystal silicon and the critical angles ofchannelling protons in them are shown. Reasonable agreements with the experimental data are obtained. The resultsshow that the Thomas-Fermi method for the crystal works well in this study, and a microscopic research of the channelelectric field with the contribution of all atoms and the atomic ionization being taken into account is practical.

  16. Crystal-field spectra of 3d super n impurities in II-VI and III-V compound semiconductors.

    Science.gov (United States)

    Allen, J. W.; Baranowski, J. M.; Pearson, G. L.

    1967-01-01

    Impurity crystal-field spectra in II-VI and III- V compound semiconductors used to predict unexplored systems spectra impurity crystal-field spectra in II-VI and III-V compound semiconductors used to predict unexplored systems spectra

  17. Wide-field-of-view narrow-band spectral filters based on photonic crystal nanocavities.

    Science.gov (United States)

    Nakagawa, Wataru; Sun, Pang-Chen; Chen, Chyong-Hua; Fainman, Yeshaiahu

    2002-02-01

    We describe a novel approach to implementing wide-field-of-view narrow-band spectral filters, using an array of resonant nanocavities consisting of periodic defects in a two-dimensional three-material photonic-crystal nanostructure. We analyze the transmissivity of this type of filter for a range of wavelengths and in-plane incidence angles as a function of the defect's refractive index, the number of layers in the photonic-crystal reflectors, and the period of the defects and find that this structure diminishes the angular sensitivity of the resonance condition relative to that of a standard multilayer filter.

  18. Optical study of the molecular alignment in a nematic liquid crystal in an oblique magnetic field

    OpenAIRE

    Oldano, C.; Miraldi, E.; Strigazzi, A.; Taverna Valabrega, P.; Trossi, L.

    1984-01-01

    The light intensity I transmitted through a homeotropically oriented nematic liquid crystal slab held between crossed polarizers, as a function of the angle θH of an applied magnetic field, is calculated for oblique light incidence. The presence of singular points in the I vs. θ H curve which are related to the elastic constants of the liquid crystal is demonstrated One of these points, found here for the first time, for small angles of incidence depends only on the ratio K33/Χ a, and allows ...

  19. An energy-stable convex splitting for the phase-field crystal equation

    KAUST Repository

    Vignal, P.

    2015-10-01

    Abstract The phase-field crystal equation, a parabolic, sixth-order and nonlinear partial differential equation, has generated considerable interest as a possible solution to problems arising in molecular dynamics. Nonetheless, solving this equation is not a trivial task, as energy dissipation and mass conservation need to be verified for the numerical solution to be valid. This work addresses these issues, and proposes a novel algorithm that guarantees mass conservation, unconditional energy stability and second-order accuracy in time. Numerical results validating our proofs are presented, and two and three dimensional simulations involving crystal growth are shown, highlighting the robustness of the method. © 2015 Elsevier Ltd.

  20. Creating physically-based three-dimensional microstructures: Bridging phase-field and crystal plasticity models.

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Hojun [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Owen, Steven J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Abdeljawad, Fadi F. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Hanks, Byron [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Battaile, Corbett Chandler [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-09-01

    In order to better incorporate microstructures in continuum scale models, we use a novel finite element (FE) meshing technique to generate three-dimensional polycrystalline aggregates from a phase field grain growth model of grain microstructures. The proposed meshing technique creates hexahedral FE meshes that capture smooth interfaces between adjacent grains. Three dimensional realizations of grain microstructures from the phase field model are used in crystal plasticity-finite element (CP-FE) simulations of polycrystalline a -iron. We show that the interface conformal meshes significantly reduce artificial stress localizations in voxelated meshes that exhibit the so-called "wedding cake" interfaces. This framework provides a direct link between two mesoscale models - phase field and crystal plasticity - and for the first time allows mechanics simulations of polycrystalline materials using three-dimensional hexahedral finite element meshes with realistic topological features.

  1. Neutron investigations of magnetic properties of crystal substances with use of a pulsed magnetic field

    CERN Document Server

    Nitts, V V

    2001-01-01

    Bases for neutron researches of magnetic properties of crystal substances with use of a pulsed magnetic field and analysis of possible application of various neutron sources in this area are submitted. The review of the most interesting physical results is presented. Main investigations on pulsed reactors of JINR are researches on kinetics of the first order reorientational phase transitions induced in single crystals, and also measurements of antiferromagnetic ordering induced by an external magnetic field. Magnetic phase transitions, induced by a field up to 160 kOe in several magnetic ordering substances, were studied in KEK (Japan). Experiment on observation of spin-flop transition in MnF sub 2 was carried out on TRIGA-reactor in a mode of single flashes of power

  2. Crystal field in ErGa sub 3 - a neutron spectroscopy study

    CERN Document Server

    Murasik, A; Clementyev, E; Schefer, J

    2000-01-01

    The splitting of the J=15/2 multiplet of Er sup 3 sup + in a cubic crystal field has been determined by inelastic scattering from a polycrystalline sample of ErGa sub 3. On the basis of the observed intensities and their temperature variation we have been able to determine two crystal electric field (CEF) parameters required for cubic symmetry. Least-squares fits applied to the observed spectra taken at various temperatures gave crystal field parameters: B sub 4 =(7.15+-0.05)x10 sup - sup 5 and B sub 6 =(1.28+-0.05)x10 sup - sup 6 meV yielding the GAMMA sub 7 doublet as a ground level with the overall splitting of 10.92 meV. The results are used to calculate the temperature-dependant zero-field magnetisation, the Schottky anomaly of the specific heat associated with the CEF splitting of Er sup 3 sup + in ErGa sub 3 , and the high-field magnetisation.

  3. Resistive memory effects in BiFeO3 single crystals controlled by transverse electric fields

    Science.gov (United States)

    Kawachi, S.; Kuroe, H.; Ito, T.; Miyake, A.; Tokunaga, M.

    2016-04-01

    The effects of electric fields perpendicular to the c-axis of the trigonal cell in single crystals of BiFeO3 are investigated through magnetization and resistance measurements. Magnetization and resistance exhibit hysteretic changes under applied electric fields, which can be ascribed to the reorientation of the magnetoelectric domains. Samples are repetitively switched between high- and low-resistance states by changing the polarity of the applied electric fields over 20 000 cycles at room temperature. These results demonstrate the potential of BiFeO3 for use in non-volatile memory devices.

  4. Molecular Field Calculation of Magnetization on NdRh2Ge2 Single Crystal

    Directory of Open Access Journals (Sweden)

    A. Himori

    2008-01-01

    Full Text Available Calculation of magnetization of the ternary single crystal compound NdRh2Ge2 has been carried out by using the wave-like molecular field model to explain the complex magnetic behavior. The field-induced magnetic structures having the propagation vectors, 2=(0,0,39/40, 3=(0,0,35/40, 4=(0,0,31/40, and 5=(0,0,0/40 (= the field-induced ferromagnetic phase were proposed. Calculation on the basis of these structures and the antiferromagnetic phase with 1=(0,0,1 well reproduces the experimental magnetization processes and - magnetic phase diagram.

  5. Optical near-field microscopy of light focusing through a photonic crystal flat lens.

    Science.gov (United States)

    Fabre, Nathalie; Lalouat, Loïc; Cluzel, Benoit; Mélique, Xavier; Lippens, Didier; de Fornel, Frédérique; Vanbésien, Olivier

    2008-08-15

    We report here the direct observation by using a scanning near-field microscopy technique of the light focusing through a photonic crystal flat lens designed and fabricated to operate at optical frequencies. The lens is fabricated using a III-V semiconductor slab, and we directly visualize the propagation of the electromagnetic waves by using a scanning near-field optical microscope. We directly evidence spatially, as well as spectrally, the focusing operating regime of the lens. At last, in light of the experimental scanning near-field optical microscope pictures, we discuss the lens ability to focus light at a subwavelength scale.

  6. Enhancement of local electromagnetic fields in plasmonic crystals of coaxial metallic nanostructures

    Science.gov (United States)

    Iwanaga, Masanobu; Ikeda, Naoki; Sugimoto, Yoshimasa

    2012-01-01

    We have experimentally and numerically examined resonant modes in plasmonic crystals (PlCs) of coaxial metallic nanostructures. Resonance enhancements of local electromagnetic (EM) fields were evaluated quantitatively. We clarified that a local mode induced in the coaxial metallic structure shows the most significant field enhancement. The enhancement factors are comprehensively discussed by comparison with other PlCs, indicating that the coaxial PlC provides a locally intense electric field and EM power flux in the annular slit of 50-nm metallic gaps.

  7. Near-Field Optical Microscopy of Defects in Cholesteric Oligomeric Liquid Crystal Films

    Energy Technology Data Exchange (ETDEWEB)

    Lukishova, S.G.; Schmid, A.W.

    2006-08-18

    This paper describes formation of 2-D hexagonal structures with a periodicity ~0.5-0.8 um in the defects of thin films of cholesteric oligomeric liquid crystals prepared by the evaporation of the solvent from the oligomer solution on the substrate. These regular arrays were observed by scanning near-field optical and concurrent atomic force microscopy. The mechanisms considered are both Benard-Marangoni and buoyancy conventions induced by solvent evaporation and air-bubble creation around the condensed water droplets from the air during evaporative cooling. Hexagonal structures prepared by this method can be used in photonic devices for emission enhancement, for instance, in liquid crystal lasers and single photon sources with oligomeric liquid crystal hosts.

  8. Phase-field simulations of faceted Ge/Si-crystal arrays, merging into a suspended film

    Science.gov (United States)

    Salvalaglio, Marco; Bergamaschini, Roberto; Backofen, Rainer; Voigt, Axel; Montalenti, Francesco; Miglio, Leo

    2017-01-01

    We simulate the morphological evolution of Ge microcrystals, grown out-of-equilibrium on deeply patterned Si substrates, as resulting from surface diffusion driven by the tendency toward the minimization of the surface energy. In particular, we report three-dimensional phase-field simulations accounting for the realistic surface energy anisotropy of Ge/Si crystals. In Salvalaglio et al. (2015) [10] it has been shown both by experiments and simulations that annealing of closely spaced crystals leads to a coalescence process with the formation of a suspended film. However, this was explained only by considering an isotropic surface energy. Here, we extend such a study by showing first the morphological changes of faceted isolated crystals. Then, the evolution of dense arrays is considered, describing their coalescence along with the evolution of facets. Combined with the previous results without anisotropy in the surface energy, this work allows us to confirm and assess the key features of the coalescence process.

  9. Role of internal demagnetizing field for the dynamics of a surface-modulated magnonic crystal

    Science.gov (United States)

    Langer, M.; Röder, F.; Gallardo, R. A.; Schneider, T.; Stienen, S.; Gatel, C.; Hübner, R.; Bischoff, L.; Lenz, K.; Lindner, J.; Landeros, P.; Fassbender, J.

    2017-05-01

    This work aims to demonstrate and understand the key role of local demagnetizing fields in hybrid structures consisting of a continuous thin film with a stripe modulation on top. To understand the complex spin dynamics of these structures, the magnonic crystal was reconstructed in two different ways—performing micromagnetic simulations based on the structural shape as well as based on the internal demagnetizing field, which both are mapped on the nanoscale using electron holography. The simulations yield the frequency-field dependence as well as the angular dependence revealing the governing role of the internal field landscape around the backward-volume geometry. Simple rules for the propagation vector and the mode localization are formulated in order to explain the calculated mode profiles. Treating internal demagnetizing fields equivalent to anisotropies, the complex angle-dependent spin-wave behavior is described for an in-plane rotation of the external field.

  10. Pinning features of the magnetic flux trapped by YBCO single crystals in weak constant magnetic fields

    Science.gov (United States)

    Monarkha, V. Yu.; Paschenko, V. A.; Timofeev, V. P.

    2013-02-01

    The dynamics of Abrikosov vortices and their bundles was experimentally investigated in weak constant magnetic fields, in the range of Earth's magnetic field. Characteristics of the isothermal magnetization relaxation in YBCO single-crystal samples with strong pinning centers were studied for different sample-field orientation. The obtained values of normalized relaxation rate S allowed us to estimate the effective pinning potential U in the bulk of the YBCO sample and its temperature dependence, as well as the critical current density Jc. A comparison between the data obtained and the results of similar measurements in significantly higher magnetic fields was performed. To compare different techniques for evaluation of Jc, the magnetization loop measurements M(H), which relate the loop width to the critical current, were carried out. These measurements provided important parameters of the samples under study (penetration field Hp and first critical field Hc1), which involve the geometrical configuration of the samples.

  11. Effect of magnetic field on the wave dispersion relation in three-dimensional dusty plasma crystals

    Energy Technology Data Exchange (ETDEWEB)

    Yang Xuefeng [School of Mathematical Sciences, Dalian University of Technology, Dalian 116024 (China); Wang Zhengxiong [School of Physics and Optoelectronic Technology, Dalian University of Technology, Dalian 116024 (China)

    2012-07-15

    Three-dimensional plasma crystals under microgravity condition are investigated by taking into account an external magnetic field. The wave dispersion relations of dust lattice modes in the body centered cubic (bcc) and the face centered cubic (fcc) plasma crystals are obtained explicitly when the magnetic field is perpendicular to the wave motion. The wave dispersion relations of dust lattice modes in the bcc and fcc plasma crystals are calculated numerically when the magnetic field is in an arbitrary direction. The numerical results show that one longitudinal mode and two transverse modes are coupled due to the Lorentz force in the magnetic field. Moreover, three wave modes, i.e., the high frequency phonon mode, the low frequency phonon mode, and the optical mode, are obtained. The optical mode and at least one phonon mode are hybrid modes. When the magnetic field is neither parallel nor perpendicular to the primitive wave motion, all the three wave modes are hybrid modes and do not have any intersection points. It is also found that with increasing the magnetic field strength, the frequency of the optical mode increases and has a cutoff at the cyclotron frequency of the dust particles in the limit of long wavelength, and the mode mixings for both the optical mode and the high frequency phonon mode increase. The acoustic velocity of the low frequency phonon mode is zero. In addition, the acoustic velocity of the high frequency phonon mode depends on the angle of the magnetic field and the wave motion but does not depend on the magnetic field strength.

  12. Influence of electromagnetic field intensity on the metastable zone width of CaCO3 crystallization in circulating water

    Science.gov (United States)

    Wang, Jianguo; Liang, Yandong; Chen, Si

    2016-09-01

    In this study, changes in the metastable zone width of CaCO3 crystallization was determined through conductivity titration by altering electromagnetic field parameters applied to the circulating water system. The critical conductivity value and metastable zone curves of CaCO3 crystallization were determined under different solution concentrations and electromagnetic field intensities. Experimental results indicate that the effect of the electromagnetic field intensity on the critical conductivity value intensifies with the increase of solution concentration. Moreover, the metastable zone width of CaCO3 crystallization increases with the increase of electromagnetic field intensity within 200 Gs, thereby prolonging the induction period of nucleation.

  13. Milestone in the History of Field-Effect Liquid Crystal Displays and Materials

    Science.gov (United States)

    Schadt, Martin

    2009-03-01

    The history of digital electronics would have been very different without the invention of field-effect liquid crystal displays (LCDs) in 1970 and their sophisticated development and implementation into numerous products. Transmissive and reflective LCDs have become a key interface between man and machine. After almost 40 years of interdisciplinary R+D and engineering, today's LCDs enable virtually all display applications, including high definition television. Field-effect LCDs are characterized by flat design, low weight, low driving voltage, design flexibility, compatibility with silicon-on-glass and very low power consumption, especially in reflection. Their polarization-sensitive layer concept is the basis for sandwiching and integration of optical and electronic thin-film functions. The liquid crystal technology has become a fast growing industry over the past 38 years, today surpassing 100 billion, with many spin-offs into new areas. Prerequisite for field-effect LCDs and their large diversification potential is the unique self-organization of liquid crystals. New applications beyond displays based on self-organisation, smart boundary alignment, dedicated liquid crystalline materials and the ability of LCs to respond to electromagnetic fields, including light, are being developed. Examples for new applications are LC polymer thin-film optics, or synergies between LCDs and solid state back-lighting, such as inorganic and organic light emitting diodes (LEDs/OLEDs).

  14. Hyperfine and crystal field interactions in multiferroic HoCrO3

    Science.gov (United States)

    Kumar, C. M. N.; Xiao, Y.; Nair, H. S.; Voigt, J.; Schmitz, B.; Chatterji, T.; Jalarvo, N. H.; Brückel, Th

    2016-11-01

    We report a comprehensive specific heat and inelastic neutron scattering study to explore the possible origin of multiferroicity in HoCrO3. We have performed specific heat measurements in the temperature range 100 mK-290 K and inelastic neutron scattering measurements were performed in the temperature range 1.5-200 K. From the specific heat data we determined hyperfine splitting at 22.5(2) μeV and crystal field transitions at 1.379(5) meV, 10.37(4) meV, 15.49(9) meV and 23.44(9) meV, indicating the existence of strong hyperfine and crystal field interactions in HoCrO3. Further, an effective hyperfine field is determined to be 600(3) T. The quasielastic scattering observed in the inelastic scattering data and a large linear term γ =6.3(8) mJ mol-1  K-2 in the specific heat is attributed to the presence of short range exchange interactions, which is understood to be contributing to the observed ferroelectricity. Further the nuclear and magnetic entropies were computed to be, ˜17.2 Jmol-1 K-1 and  ˜34 Jmol-1 K-1, respectively. The entropy values are in excellent agreement with the limiting theoretical values. An anomaly is observed in the peak position of the temperature dependent crystal field spectra around 60 K, at the same temperature an anomaly in the pyroelectric current is reported. From this we could elucidate a direct correlation between the crystal electric field excitations of Ho3+ and ferroelectricity in HoCrO3. Our present study, along with recent reports, confirm that HoCrO3, and RCrO3 (R  =  rare earth) in general, possess more than one driving force for the ferroelectricity and multiferroicity.

  15. Neutron diffraction investigations of zero-field and field-induced magnetic structures of DyNiSn single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Murogaki, K. [Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan)]. E-mail: murogaki@fiberbit.net; Kawano, S. [Research Reactor Institute, Kyoto University, Osaka 590-0494 (Japan); Andoh, Y. [Faculty of Regional Sciences, Tottori University, Tottori 680-8551 (Japan); Takahashi, M. [Institute of Materials Science, University of Tsukuba, Ibaraki 305-8573 (Japan); Kurisu, M. [Japan Advanced Institute of Science and Technology, Ishikawa 923-1292 (Japan); Nakamoto, G. [Japan Advanced Institute of Science and Technology, Ishikawa 923-1292 (Japan); Anh, D.T. Kim [Japan Advanced Institute of Science and Technology, Ishikawa 923-1292 (Japan); Tsutaoka, T. [Graduate School of Education, Hiroshima University, Hiroshima 739-8524 (Japan)

    2006-02-09

    Single crystal neutron diffraction studies have been performed on the rare-earth ternary compound, DyNiSn. This crystal exhibits an incommensurate magnetic structure expressed by the propagation vector, Q = (0.662 0.352 0) with its third harmonics at low temperatures. In an external magnetic field applied along the c-axis DyNiSn shows incommensurate modulation with Q = (1 0.315 0) at 1.6 K, while along the easy magnetization direction of the b-axis a commensurate modulation with Q = (2/3 0 0) develops at 2 K. The results along the b-axis are fully consistent with the magnetization curve.

  16. Crystal-field investigations of rare-earth-doped wide band gap semiconductors

    CERN Multimedia

    Muller, S; Wahl, U

    Crystal field investigations play a central role in the studies of rare earth doped semiconductors. Optical stark level spectroscopy and lattice location studies of radioactive rare earth isotopes implanted at ISOLDE have provided important insight into these systems during the last years. It has been shown that despite a major site preference of the probe atoms in the lattice, several defect configurations do exist. These sites are visible in the optical spectra but their origin and nature aren't deducible from these spectra alone. Hyperfine measurements on the other hand should reveal these defect configurations and yield the parameters necessary for a description of the optical properties at the atomic scale. In order to study the crystal field with this alternative approach, we propose a new concept for perturbed $\\gamma\\gamma$-angular correlation (PAC) experiments at ISOLDE based on digital signal processing in contrast to earlier analog setups. The general functionality of the spectrometer is explained ...

  17. Phase Transition for a Mixed Spin-1/2 and Spin-sB System with a Transverse Crystal Field

    Institute of Scientific and Technical Information of China (English)

    JIANG Wei; XIAO Gui-Bin; WEI Guo-Zhu; DU An; ZHANG Qi

    2004-01-01

    The critical behaviors of a mixed spin-1/2 and spin-sB Ising system with a transverse crystal field are studied by use of the effective-field theory with correlations. The effect of the transverse crystal field on transition temperatures is investigated numerically for the honeycomb (z = 3) and square (z = 4) lattices. The results show that there is no tricritical point for the system.

  18. Tunable extended depth of field using a liquid crystal annular spatial filter.

    Science.gov (United States)

    Klapp, Iftach; Solodar, Asi; Abdulhalim, Ibrahim

    2014-03-15

    A tunable extended depth of field (EDOF) imaging is presented using temporal multiplexing and a low-cost eight-ring, annular liquid crystal spatial light modulator. By changing between different phase profiles in the pupil plane of a lens we perform several levels of EDOF. Using these levels as a "database" it is shown by temporal multiplexing how to decompose tunable levels of EDOF.

  19. Longitudinal magnetoresistance of layered crystals in a quantizing magnetic field taking into account the spin splitting

    Science.gov (United States)

    Askerov, B. M.; Figarova, S. R.; Mahmudov, M. M.

    2006-07-01

    The magnetoresistance of layered crystals in a longitudinal quantizing magnetic field by taking into account the spin splitting is theoretically investigated. The general expression for the electrical conductivity of a quasi two-dimensional electron gas at the deformation-potential scattering has been obtained. In the behavior of the specific resistance, peaks have been revealed, and a number and positions of the peaks are dictated by the spin splitting magnitude.

  20. Evaluation of the exchange interaction and crystal fields in a prototype Dy2 SMM

    Science.gov (United States)

    Zhang, Qing; Sarachik, Myriam; Baker, Michael; Chen, Yizhang; Kent, Andrew; Pineda, Eufemio; McInnes, Eric

    In order to gain an understanding of the INS and magnetization data obtained for Dy2, the simplest member of a newly synthesized family of dysprosium-based molecular magnets, we report on calculations of the magnetic behavior of a Dy2 cluster with the formula [hqH2][Dy2(hq)4(NO3)3].MeOH. The molecular complex contains one high symmetry Dy(III) ion and one low symmetry Dy(III) ion. Our calculations suggest that exchange coupling between the two ions controls the behavior of the magnetization at low temperature, while the crystal field of the low symmetry Dy(III) ion controls the behavior at higher temperature. A point charge electrostatic model, based on crystallographic coordinates, provides a starting point for the determination of the crystal field. Parameters in these calculations are adjusted to provide best fits to inelastic neutron scattering data (INS) and low temperature magnetometry: the INS measurements access crystal field energies and low temperature magnetization probes the Dy-Dy exchange interaction. Work supported by ARO W911NF-13-1-1025 (CCNY) and NSF-DMR-1309202 (NYU).

  1. Crystal-field and covalency effects in uranates: an X-ray spectroscopic study

    Energy Technology Data Exchange (ETDEWEB)

    Butorin, Sergei M. [Molecular and Condensed Matter Physics, Department of Physics and Astronomy, Uppsala University, Uppsala (Sweden); Kvashnina, Kristina O. [European Synchrotron Radiation Facility, CS40220, Grenoble (France); Helmholtz-Zentrum Dresden-Rossendorf (HZDR), Institute of Resource Ecology, Dresden (Germany); Smith, Anna L. [Department of Radiation Science and Technology, TU Delft (Netherlands); Popa, Karin [European Commission, Joint Research Centre, Institute for Transuranium Elements, Karlsruhe (Germany); Martin, Philippe M. [CEA Marcoule, CEA, DEN, DTEC/SECA/LCC, Bagnols-sur-Ceze (France)

    2016-07-04

    The electronic structure of U{sup V}- and U{sup VI}-containing uranates NaUO{sub 3} and Pb{sub 3}UO{sub 6} was studied by using an advanced technique, namely X-ray absorption spectroscopy (XAS) in high-energy-resolution fluorescence-detection (HERFD) mode. Due to a significant reduction in core-hole lifetime broadening, the crystal-field splittings of the 5f shell were probed directly in HERFD-XAS spectra collected at the U 3d edge, which is not possible by using conventional XAS. In addition, the charge-transfer satellites that result from U 5f-O 2p hybridization were clearly resolved. The crystal-field parameters, 5f occupancy, and degree of covalency of the chemical bonding in these uranates were estimated by using the Anderson impurity model by calculating the U 3d HERFD-XAS, conventional XAS, core-to-core (U 4f-3d transitions) resonant inelastic X-ray scattering (RIXS), and U 4f X-ray photoelectron spectra. The crystal field was found to be strong in these systems and the 5f occupancy was determined to be 1.32 and 0.84 electrons in the ground state for NaUO{sub 3} and Pb{sub 3}UO{sub 6}, respectively, which indicates a significant covalent character for these compounds. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  2. Beta tricalcium phosphate ceramics with controlled crystal orientation fabricated by application of external magnetic field during the slip casting process.

    Science.gov (United States)

    Hagio, Takeshi; Yamauchi, Kazushige; Kohama, Takenori; Matsuzaki, Toshiya; Iwai, Kazuhiko

    2013-07-01

    Beta tricalcium phosphate (β-TCP) is a resorbable bioceramic that has hitherto been utilized in the medical field. Since it crystallizes in the anisotropic hexagonal system, properties such as chemical and physical ones are expected to depend on its crystal axis direction and/or on its crystal plane (anisotropy). Control of crystal orientation is thus important when used in polycrystalline form. Meanwhile, application of a strong magnetic field has been found to be a promising technique to control crystal orientation of anisotropic shape or structured crystals. In this work, we attempted to fabricate β-TCP ceramics with controlled crystal orientation by applying an external magnetic field during the slip casting process and subsequently sintering them at 1050°C, below the β-α transition temperature. Application of a vertical magnetic field increased intensities of planes perpendicular to c-plane on the top surface, while a horizontal one with simultaneous mechanical mold rotation decreased it. These results indicated that crystal orientation of β-TCP ceramics were successfully controlled by the external magnetic field and together that the magnetic susceptibility of β-TCP is χ(c[perpendicular])>χ(c//).

  3. Trifluoromethylation of perfluorinated diacylfluorides: synthesis of the diketone CF3C(O)CF2C(O)CF3 and of new perfluorinated diol (CF3)2C(OH)CF2C(OH)(CF3)2.

    Science.gov (United States)

    Corti, Sandra; Pennington, William T; DesMarteau, Darryl D

    2013-01-01

    Perfluoromalonyl difluoride reacts with TMS-CF3 (1:1) in the presence of KF to give the new diketone CF2(C(O)CF3)2. A large excess (5:1) of TMS-CF3 results in the presumed potassium dialkoxide [(CF3)2COK]2CF2 which yields the 1,3-ditertiarydiol [(CF3)2C(OH)]2CF2 on reaction with H2SO4.

  4. Novel colloidal system: Magnetite-polymer particles/lyotropic liquid crystal under magnetic field

    Science.gov (United States)

    Mănăilă-Maximean, D.; Cîrtoaje, C.; Dănilă, O.; Donescu, D.

    2017-09-01

    We obtained a new highly ordered colloidal composite using specially manufactured magnetite-polymer nanoparticles and lyotropic liquid crystal. A good compatibility between the components was ensured by the functionalization of the particles during their synthesis. We studied the laser light transmission for the mixtures filled in sandwich-glass cells with homeotropic and planar treatment of the surfaces under external magnetic field. The Fréedericksz transition critical field was estimated, and its' behavior was compared to our new theoretical model based on the Brochard-de Gennes one.

  5. A photonic-crystal optical antenna for extremely large local-field enhancement.

    Science.gov (United States)

    Chang, Hyun-Joo; Kim, Se-Heon; Lee, Yong-Hee; Kartalov, Emil P; Scherer, Axel

    2010-11-08

    We propose a novel design of an all-dielectric optical antenna based on photonic-band-gap confinement. Specifically, we have engineered the photonic-crystal dipole mode to have broad spectral response (Q~70) and well-directed vertical-radiation by introducing a plane mirror below the cavity. Considerably large local electric-field intensity enhancement~4,500 is expected from the proposed design for a normally incident planewave. Furthermore, an analytic model developed based on coupled-mode theory predicts that the electric-field intensity enhancement can easily be over 100,000 by employing reasonably high-Q (~10,000) resonators.

  6. Scandinavian Nurse Specialist Group/Cystic Fibrosis (SNSG/CF)

    DEFF Research Database (Denmark)

    Bregnballe, Vibeke; Erwander, Inger

    2006-01-01

    /CF comprises one CF nurse from each of the centers. The board meets twice a year to plan workshops and courses. SNSG/CF is part of the International Nurse Specialist Group/Cystic Fibrosis (INSG/CF). Results: Within the framework of SNSG/CF a 2-day workshop is held every second year for approximately 40......Aims: SNSG/CF was established to stimulate and improve cooperation between CF nurses from Scandinavian CF centers. Methods: SNSG/CF includes all the CF centers in Norway (Oslo and Bergen), Sweden (Stockholm, Gothenburg, Lund and Uppsala) and Denmark (Copenhagen and Aarhus). The board of SNSG...

  7. Crystal fields of porphyrins and phthalocyanines from polarization-dependent 2p-to-3d multiplets

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, Phillip S.; Boukahil, Idris; Himpsel, F. J., E-mail: fhimpsel@wisc.edu [Department of Physics, University of Wisconsin-Madison, 1150 University Ave., Madison, Wisconsin 53706 (United States); García-Lastra, J. M. [Department of Energy Conversion and Storage, Technical University of Denmark, 4000 Roskilde (Denmark); Kennedy, Colton K.; Jersett, Nathan J.; Cook, Peter L. [Natural Sciences Department, University of Wisconsin-Superior, Belknap and Catlin, Superior, Wisconsin 54880 (United States)

    2014-03-21

    Polarization-dependent X-ray absorption spectroscopy is combined with density functional calculations and atomic multiplet calculations to determine the crystal field parameters 10Dq, Ds, and Dt of transition metal phthalocyanines and octaethylporphyrins (Mn, Fe, Co, Ni). The polarization dependence facilitates the assignment of the multiplets in terms of in-plane and out-of-plane orbitals and avoids ambiguities. Crystal field values from density functional calculations provide starting values close to the optimum fit of the data. The resulting systematics of the crystal field can be used for optimizing electron-hole separation in dye-sensitized solar cells.

  8. Crystal fields of porphyrins and phthalocyanines from polarization-dependent 2p-to-3d multiplets

    Science.gov (United States)

    Johnson, Phillip S.; García-Lastra, J. M.; Kennedy, Colton K.; Jersett, Nathan J.; Boukahil, Idris; Himpsel, F. J.; Cook, Peter L.

    2014-03-01

    Polarization-dependent X-ray absorption spectroscopy is combined with density functional calculations and atomic multiplet calculations to determine the crystal field parameters 10Dq, Ds, and Dt of transition metal phthalocyanines and octaethylporphyrins (Mn, Fe, Co, Ni). The polarization dependence facilitates the assignment of the multiplets in terms of in-plane and out-of-plane orbitals and avoids ambiguities. Crystal field values from density functional calculations provide starting values close to the optimum fit of the data. The resulting systematics of the crystal field can be used for optimizing electron-hole separation in dye-sensitized solar cells.

  9. Theory of crystal field states for heavy rare-earth impurities in MgB sub 2

    CERN Document Server

    Welsch, F; Faehnle, M

    2002-01-01

    For isolated rare-earth impurities substituting for Mg atoms in the superconductor MgB sub 2 the crystal field parameters are calculated by the ab initio density functional electron theory with constraints for the 4f charge and spin density. The crystal field parameter A sub 6 sup 6 is extremely small due to the structure and bonding properties of MgB sub 2 , and therefore the crystal field levels are nearly exclusively determined by one magnetic quantum number M. Implications for the pair-breaking mechanism of the superconductivity in MgB sub 2 are discussed.

  10. Magnetic field induced strain assisted by stress in Ni-Fe-GaCo single crystals

    Directory of Open Access Journals (Sweden)

    Chumlyakov Y.

    2010-06-01

    Full Text Available Ferromagnetic shape memory alloys (FSMA have the possibility to induced a strain by applying a magnetic field. The main advantage of the FSMA is that the strain cycling frequency is two orders of magnitude higher than coventional shape memory alloys. The best alloy showing this effect is the Ni-Mn-Ga system, with a high mobility of its martensite variants and high magnetocrystalline anisotropy constant. Nevertheless, due to the high brittleness of this alloy, other systems (Ni-Fe-Ga, Co-Ni-Al, Co-Ni-Ga, ... are being investigated as an alternative to Ni-Mn-Ga. In the current work, Ni-Fe-Ga-Co single crystals have been studied. In spite of the formation of L10 martensite (low mobility of the variants, the [001] crystals exhibited magnetic-field-induced strains (in tension larger than 2%, under an assisting tensile stress around 16 MPa and fields below 15 kOe. In martensitic samples previously compressed, application of a constant tensile stress along the same axis together with a perpendicular magnetic field produces the elongation of the sample by variant reorientation, as one of the variants rotates its c axis from the field direction to the stress-axis direction. An estimated magnetostress of ~0.8 MPa is in good agreement with the theoretical value given by the ratio of magnetocrystalline anisotropy constant and twinning shear.

  11. Neutron Spectra, Fluence and Dose Rates from Bare and Moderated Cf-252 Sources

    Energy Technology Data Exchange (ETDEWEB)

    Radev, Radoslav P. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2016-04-01

    A new, stronger 252Cf source (serial number SR-CF-3050-OR) was obtained from Oak Ridge National Laboratory (ORNL) in 2014 to supplement the existing 252Cf sources which had significantly decayed. A new instrument positioning track system was designed and installed by Hopewell Designs, Inc. in 2011. The neutron field from the new, stronger 252Cf source in the modified calibration environment needed to be characterized as well as the modified neutron fields produced by the new source and seven different neutron moderators. Comprehensive information about our 252Cf source, its origin, production, and isotopic content and decay characteristics needed to be compiled as well. This technical report is intended to address these issues.

  12. Anisotropies of the lower and upper critical fields in MgB2 single crystals.

    Science.gov (United States)

    Lyard, L; Szabó, P; Klein, T; Marcus, J; Marcenat, C; Kim, K H; Kang, B W; Lee, H S; Lee, S I

    2004-02-01

    The temperature dependence of the upper (H(c2)) and lower (H(c1)) critical fields has been deduced from Hall probe magnetization measurements of high quality MgB2 single crystals along the two main crystallographic directions. We show that Gamma(H(c2))=H(c2 axially ab)/H(c2 axially c) and Gamma(H(c1))=H(c1 axially c)/H(c1 axially ab) differ significantly at low temperature (being approximately 5 and approximately 1, respectively) and have opposite temperature dependencies. We suggest that MgB2 can be described by a single field dependent anisotropy parameter gamma(H) (=lambda(c)/lambda(ab)=xi(ab)/xi(c)) that increases from Gamma(H(c1)) at low field to Gamma(H(c2)) at high field.

  13. Near-field lithography on the azobenzene polymer liquid crystal films

    Institute of Scientific and Technical Information of China (English)

    Douguo Zhang; Jian Liu; Zebo Zhang; Li Cao; Anlian Pan; Pei Wang; Yonghua Lu; Ming Bai; Jun Yang; Lin Tang; Jiangying Zhang; Hai Ming; Qijin Zhang

    2005-01-01

    @@ In this article, we reported near-field research on azobenzene polymer liquid crystal films using scanning near-field optical microscopy (SNOM). Optical writing and subsequently topographic reading of the patterns with subwavelength resolution were carried out in our experiments. Nanometer scale dots and lines were successfully fabricated on the films and the smallest dot diameter is about 120 nm. The width of the line fabricated is about 250 nm. This method is also a choice for nanolithography. The mechanism of the surface deformation on the polymer films was briefly analyzed from the viewpoint of gradient force in the optical near field. The intensity distribution of the electric field near the tip aperture was numerically simulated using finite-difference time-domain (FDTD) method and the numerical simulation results were consistent with the experimental results.

  14. Crystallization Behavior of Anatase Films in Applied Electric Field Heating Process

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    In this research the TiO2 thin films were prepared by sol-gel dip coating. The crystallization of the films in the applied electric field heating process was thoroughly studied by many technique, differential thermal analysis (DTA), Raman spectroscopy and atomic force microscope (AFM). Furthermore the phase formation, microstructure and photo-catalytic activity of TiO2 film were studied under the condition of an electric field heating-treatment. It is found that the existence of applied electric field promotes the phase transformation from anatase to rutile. Studies on photo-catalytic degradation show that the photo-catalytic activity of TiO2 thin films in an applied electric field is higher.

  15. Theoretically informed Monte Carlo simulation of liquid crystals by sampling of alignment-tensor fields.

    Energy Technology Data Exchange (ETDEWEB)

    Armas-Perez, Julio C.; Londono-Hurtado, Alejandro; Guzman, Orlando; Hernandez-Ortiz, Juan P.; de Pablo, Juan J.

    2015-07-27

    A theoretically informed coarse-grained Monte Carlo method is proposed for studying liquid crystals. The free energy functional of the system is described in the framework of the Landau-de Gennes formalism. The alignment field and its gradients are approximated by finite differences, and the free energy is minimized through a stochastic sampling technique. The validity of the proposed method is established by comparing the results of the proposed approach to those of traditional free energy minimization techniques. Its usefulness is illustrated in the context of three systems, namely, a nematic liquid crystal confined in a slit channel, a nematic liquid crystal droplet, and a chiral liquid crystal in the bulk. It is found that for systems that exhibit multiple metastable morphologies, the proposed Monte Carlo method is generally able to identify lower free energy states that are often missed by traditional approaches. Importantly, the Monte Carlo method identifies such states from random initial configurations, thereby obviating the need for educated initial guesses that can be difficult to formulate.

  16. Theoretically informed Monte Carlo simulation of liquid crystals by sampling of alignment-tensor fields

    Energy Technology Data Exchange (ETDEWEB)

    Armas-Pérez, Julio C.; Londono-Hurtado, Alejandro [Institute for Molecular Engineering, University of Chicago, Chicago, Illinois 60637 (United States); Guzmán, Orlando [Departamento de Física, Universidad Autónoma Metropolitana, Iztapalapa, DF 09340, México (Mexico); Hernández-Ortiz, Juan P. [Departamento de Materiales y Minerales, Universidad Nacional de Colombia, Sede Medellín, Medellín (Colombia); Institute for Molecular Engineering, University of Chicago, Chicago, Illinois 60637 (United States); Pablo, Juan J. de, E-mail: depablo@uchicago.edu [Institute for Molecular Engineering, University of Chicago, Chicago, Illinois 60637 (United States); Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

    2015-07-28

    A theoretically informed coarse-grained Monte Carlo method is proposed for studying liquid crystals. The free energy functional of the system is described in the framework of the Landau-de Gennes formalism. The alignment field and its gradients are approximated by finite differences, and the free energy is minimized through a stochastic sampling technique. The validity of the proposed method is established by comparing the results of the proposed approach to those of traditional free energy minimization techniques. Its usefulness is illustrated in the context of three systems, namely, a nematic liquid crystal confined in a slit channel, a nematic liquid crystal droplet, and a chiral liquid crystal in the bulk. It is found that for systems that exhibit multiple metastable morphologies, the proposed Monte Carlo method is generally able to identify lower free energy states that are often missed by traditional approaches. Importantly, the Monte Carlo method identifies such states from random initial configurations, thereby obviating the need for educated initial guesses that can be difficult to formulate.

  17. High magnetic-field scales and critical currents in SmFeAs(O, F) crystals

    Science.gov (United States)

    Moll, Philip J. W.; Puzniak, Roman; Balakirev, Fedor; Rogacki, Krzysztof; Karpinski, Janusz; Zhigadlo, Nikolai D.; Batlogg, Bertram

    2010-08-01

    With the discovery of new superconducting materials, such as the iron pnictides, exploring their potential for applications is one of the foremost tasks. Even if the critical temperature Tc is high, intrinsic electronic properties might render applications difficult, particularly if extreme electronic anisotropy prevents effective pinning of vortices and thus severely limits the critical current density, a problem well known for cuprates. Although many questions concerning microscopic electronic properties of the iron pnictides have been successfully addressed and estimates point to a very high upper critical field, their application potential is less clear. Thus, we focus here on the critical currents, their anisotropy and the onset of electrical dissipation in high magnetic fields up to 65T. Our detailed study of the transport properties of SmFeAsO0.7F0.25 single crystals reveals a promising combination of high (>2×106Acm-2) and nearly isotropic critical current densities along all crystal directions. This favourable intragrain current transport in SmFeAs(O, F), which shows the highest Tc of 54K at ambient pressure, is a crucial requirement for possible applications. Essential in these experiments are four-probe measurements on focused-ion-beam-cut single crystals with a sub-square-micrometre cross-section, with current along and perpendicular to the crystallographic c axis.

  18. Direct current electric field assembly of colloidal crystals displaying reversible structural color.

    Science.gov (United States)

    Shah, Aayush A; Ganesan, Mahesh; Jocz, Jennifer; Solomon, Michael J

    2014-08-26

    We report the application of low-voltage direct current (dc) electric fields to self-assemble close-packed colloidal crystals in nonaqueous solvents from colloidal spheres that vary in size from as large as 1.2 μm to as small as 0.1 μm. The assemblies are created rapidly (∼2 min) from an initially low volume fraction colloidal particle suspension using a simple capacitor-like electric field device that applies a steady dc electric voltage. Confocal microscopy is used to observe the ordering that is produced by the assembly method. This spatial evidence for ordering is consistent with the 6-fold diffraction patterns identified by light scattering. Red, green, and blue structural color is observed for the ordered assemblies of colloids with diameters of 0.50, 0.40, and 0.29 μm, respectively, consistent with spectroscopic measurements of reflectance. The diffraction and spectrophotometry results were found to be consistent with the theoretical Bragg's scattering expected for closed-packed crystals. By switching the dc electric field from on to off, we demonstrate reversibility of the structural color response on times scales ∼60 s. The dc electric field assembly method therefore represents a simple method to produce reversible structural color in colloidal soft matter.

  19. Imaging the oblique propagation of electrons in germanium crystals at low temperature and low electric field

    Energy Technology Data Exchange (ETDEWEB)

    Moffatt, R. A., E-mail: rmoffatt@stanford.edu; Cabrera, B.; Corcoran, B. M.; Kreikebaum, J. M.; Redl, P.; Shank, B.; Yen, J. J. [Department of Physics, Stanford University, Stanford, California 94305 (United States); Young, B. A. [Department of Physics, Stanford University, Stanford, California 94305 (United States); Department of Physics, Santa Clara University, Santa Clara, California 95053 (United States); Brink, P. L.; Cherry, M.; Tomada, A. [SLAC National Accelerator Facility, Menlo Park, California 94025 (United States); Phipps, A.; Sadoulet, B.; Sundqvist, K. M. [Department of Physics, University of California, Berkeley, California 94720 (United States)

    2016-01-11

    Excited electrons in the conduction band of germanium collect into four energy minima, or valleys, in momentum space. These local minima have highly anisotropic mass tensors which cause the electrons to travel in directions which are oblique to an applied electric field at sub-Kelvin temperatures and low electric fields, in contrast to the more isotropic behavior of the holes. This experiment produces a full two-dimensional image of the oblique electron and hole propagation and the quantum transitions of electrons between valleys for electric fields oriented along the [0,0,1] direction. Charge carriers are excited with a focused laser pulse on one face of a germanium crystal and then drifted through the crystal by a uniform electric field of strength between 0.5 and 6 V/cm. The pattern of charge density arriving on the opposite face is used to reconstruct the trajectories of the carriers. Measurements of the two-dimensional pattern of charge density are compared in detail with Monte Carlo simulations developed for the Cryogenic Dark Matter Search (SuperCDMS) to model the transport of charge carriers in high-purity germanium detectors.

  20. Magnetostrictive behaviors of Fe-Al(001 single-crystal films under rotating magnetic fields

    Directory of Open Access Journals (Sweden)

    Tetsuroh Kawai

    2016-05-01

    Full Text Available Magnetostrictive behaviors of Fe100−x − Alx(x = 0 − 30 at.%(001 single-crystal films under rotating magnetic fields are investigated along the two different crystallographic orientations, [100] and [110]. The behaviors of Fe and Fe90Al10 films show bath-tub like waveform along [100], easy magnetization axis, and triangular waveform along [110], hard magnetization axis, with respect to their four-fold magnetic anisotropy. On the other hand, the behaviors of Fe80Al20 film are different from those of Fe or Fe90Al10 film. The output of the film along [100] shows a strong magnetic field dependence. The Fe70Al30 film shows similar magnetostrictive behaviors along both [100] and [110] reflecting its magnetic properties, which are almost same for the both directions. The growth of ordered phase (B2 in Fe80Al20 and Fe70Al30 films is considered to have affected their magnetostrictive behaviors. The Al content dependence on λ100 and λ111 values shows similar tendency to that reported for the bulk samples but the values are slightly different. The Fe90Al10(001 single-crystal film shows a large magnetostriction along [100] under a very small magnetic field of 0.02 kOe, which is comparable to the saturated one, and changes the value abruptly in relation to the angle of applied magnetic field.

  1. Orientation of growing crystals of Co- or Gd-containing L-threonine dehydrogenase by magnetic fields

    Science.gov (United States)

    Maki, Syou; Ishikawa, Kazuhiko; Ataka, Mitsuo

    2009-12-01

    L-Threonine dehydrogenase from Pyrococcus horikoshii (TDH) is a water-soluble metalloenzyme, the molecular structure of which has been unknown until recently. The Zn 2+ ion in the native TDH, prepared as a recombinant protein, is replaced artificially with Co 2+, Ni 2+ or Gd 3+. These samples are crystallized in homogeneous magnetic fields of 2-10 T. Half of the Co- or Gd-substituted crystals show magnetic orientation in a field of 2 T at 278 K whereas the crystals of the native TDH require a 4 T magnetic field for half orientation. The sensitivity to magnetic orientation can thus be increased by metal substitution. On the other hand, we cannot assign clear changes in the size, number, and quality of the native and metal-substituted crystals with and without the presence of the magnetic field.

  2. Anisotropy and Magnetostriction in Cobalt-Modified Magnetite: A Crystal Field Approach

    Science.gov (United States)

    Nlebedim, Cajetan; Jiles, David

    2013-03-01

    The anisotropy and magnetostrictive properties of magnetite are altered by the introduction of cobalt ions into the spinel crystal lattice. 4% of Co2+ substituted for Fe2+ changes both the sign and magnitude of magnetocrystalline anisotropy coefficient. Such strong dependence can be useful for tailoring the properties of cobalt-iron oxides for applications. This is especially important, considering that cobalt ferrite materials prepared for magnetostrictive, multiferroic and other related applications often deviate from targeted or stoichiometric compositions. In this study, magnetite has been systematically modified by substitution of cobalt. The changes in anisotropy and magnetostriction have been studied and can be explained using the single ion model. The agreement between the trend observed in this experimental investigation and previous theoretical studies is noteworthy. The variation in anisotropy and magnetostriction will be presented on the basis of two competing factors; the unquenched orbital angular momentum of Co2+ and changes in the crystal field due to Co2+ substitution.

  3. Deflecting Easy-axis of Fe304 Single Crystal Nanowires by Magnetic-field-induced Method

    Institute of Scientific and Technical Information of China (English)

    W. Wang; S. Y. Wang

    2012-01-01

    In order to control the orientation of easy-axis of magnetic nanowires, FesO4 single crystal nanowires with easy-axis perpendicular to wire-axis were prepared successfully by means of a magnetic-field-induced method. Analysis of X-ray diffraction and electron diffraction pattern showed that there was a wide-angle deflection of easy-axis in the prepared Fe304 nanowires. A high saturation magnetization (82 emu/g) of the FesO4 nanowires was achieved at room temperature. The benefits and mechanism of the deflection of easy-axis from its wire-axis in FesO4 single crystal nanowires were discussed. The results are expected to broaden the magnetic properties of traditional ferrite nanowires.

  4. Development of specialized modelling tools for crystal growth processes with magnetic fields

    Science.gov (United States)

    Rudevics, A.; Muiznieks, A.; Nacke, B.

    2007-06-01

    The present paper is devoted to some aspects of the development of specialized software for the modelling of crystal growth processes with magnetic fields. Due to the complexity of the mathematical models for such processes, the modern technology of software design and implementation has to be used. Our experience in numerical modelling of crystal growth processes has shown that such approach facilitates the development of complex software systems. It involves the so-called object-oriented design and programming as well as the use of powerful software libraries in order to benefit from its functionality. To illustrate the programs created by our group, some examples are briefly described in this paper. Figs 7, Refs 13.

  5. On the binding of small polarons in a mean-field quantum crystal

    CERN Document Server

    Lewin, Mathieu

    2012-01-01

    We consider a small multi-polaron model obtained by coupling the many-body Schr\\"odinger equation for N interacting electrons with the energy functional of a mean- field crystal with a localized defect, obtaining a highly non linear many-body problem. The physical picture is that the electrons constitue a charge defect in an otherwise perfect periodic crystal. A remarkable feature of such a system is the possibility to form a bound state of electrons via their interaction with the polarizable background. We first prove that a single polaron always binds, i.e. the energy functional has a minimizer for N = 1. Then we discuss the case of multi-polarons containing two electrons or more. We show that their existence is guaranteed when certain quantized binding inequalities of HVZ type are satisfied.

  6. Crystal field-phonon coupling in the Kondo lattice CeCu2

    Science.gov (United States)

    Witte, U.; Kramp, S.; Braden, M.; Svoboda, P.; Loewenhaupt, M.

    CeCu2 is a Kondo lattice and shows antiferromagnetic order below 3.5K. In earlier neutron-scattering experiments on a polycrystalline sample an anomaly in the inelastic neutron spectra at about 14 meV and at temperatures between 100 and 150K was observed. This has led to the assumption of a coupling between a crystal field transition between two excited levels and phonons. Inelastic neutron measurements on a single crystal confirm this assumption. We find an unusual strong energy shift (up to 15%) of certain phonons with increasing temperature, depending on their symmetry. At the same time the magnetic response is strongly broadened due to the coupling to the phonons.

  7. Crystal field-phonon coupling in the Kondo lattice CeCu{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Witte, U. [TU Dresden, Institut fuer Angewandte Physik (IAPD), 01062 Dresden (Germany); HMI Berlin, Glienicker Str. 100, 14109 Berlin (Germany); Kramp, S. [HMI Berlin, Glienicker Str. 100, 14109 Berlin (Germany); Braden, M. [LLB Saclay, 91191 Gif-Sur-Yvette Cedex (France); Svoboda, P. [Charles University, 12116 Praha (Czech Republic); Loewenhaupt, M. [TU Dresden, Institut fuer Angewandte Physik (IAPD), 01062 Dresden (Germany)

    2002-07-01

    CeCu{sub 2} is a Kondo lattice and shows antiferromagnetic order below 3.5 K. In earlier neutron-scattering experiments on a polycrystalline sample an anomaly in the inelastic neutron spectra at about 14 meV and at temperatures between 100 and 150 K was observed. This has led to the assumption of a coupling between a crystal field transition between two excited levels and phonons. Inelastic neutron measurements on a single crystal confirm this assumption. We find an unusual strong energy shift (up to 15%) of certain phonons with increasing temperature, depending on their symmetry. At the same time the magnetic response is strongly broadened due to the coupling to the phonons. (orig.)

  8. Ab initio calculation of electronic structure, crystal field, and intrinsic magnetic properties of Sm2Fe17, Sm2Fe17N3, Sm2Fe17C3, and Sm2Co17

    Science.gov (United States)

    Steinbeck, Lutz; Richter, Manuel; Nitzsche, Ulrike; Eschrig, Helmut

    1996-03-01

    In a comparative study we calculated the spin and orbital moments, spin and charge densities, and 4f crystal field (CF) parameters of the rare-earth transition-metal intermetallics Sm2Fe17, Sm2Fe17Z3 (Z=C,N), and Sm2Co17 using a relativistic optimized linear combination of atomic orbitals method. The itinerant valence electron states were treated in the local-spin-density approximation (LSDA), whereas the localized 4f states were described as open core states within the self-interaction-corrected LSDA. The calculations yield magnetic moments in good agreement with experiment. While all local moments of Sm2Fe17 increase upon lattice expansion, the moments of atoms neighboring the interstitial sites decrease and those of more distant Fe atoms increase upon insertion of interstitial N or C. In N interstitial atoms all 2pα orbitals are polarized antiparallel to their respective Fe and Sm neighbor atoms in the bond direction, whereas in C all 2pα orbitals are polarized antiparallel to the Fe atoms neighboring the interstitial site. The second-order CF parameters A02 dominating the rare-earth magnetocrystalline anisotropy are found to have the same sign and order of magnitude as those derived from magnetization data. In accordance with experiment the calculated negative A02 is larger for the Co compound than for the Fe parent compound and is strongly increased upon insertion of interstitial N or C. The agreement between theory and experiment is improved by taking into account the CF contribution arising from the asphericity of the exchange-correlation potential of the non-4f states.

  9. Ecological consequence of the introduction of the polychaete Marenzelleria cf. viridis into a shallow-water biotope of the northern Baltic Sea

    Science.gov (United States)

    Kotta, Jonne; Orav, Helen; Sandberg-Kilpi, Eva

    2001-12-01

    Effects of the North American polychaete Marenzelleria cf. viridis on a simple shallow-water benthic community of the northern Baltic Sea were studied in a field experiment combining natural densities of dominating macrofaunal species. The presence of M. cf. viridis increased benthic production (chlorophyll a) and reduced the survival of the native polychaete Nereis diversicolor. Adult Macoma balthica caused a significant mortality on M. cf. viridis whereas adult Cerastoderma glaucum had no effect on M. cf. viridis. We suggest that the competitive interactions between M. cf. viridis and M. balthica are a possible key factor determining the distribution pattern of M. cf. viridis in the Baltic Sea.

  10. Crystal fields of porphyrins and phthalocyanines from polarization-dependent 2p-to-3d multiplets

    OpenAIRE

    Johnson, Phillip S.; García Lastra, Juan Maria; Kennedy, Colton K.; Jersett, Nathan J.; Boukahil, Idris; Himpsel, F. J.; Cook, Peter L.

    2014-01-01

    Polarization-dependent X-ray absorption spectroscopy is combined with density functional calculations and atomic multiplet calculations to determine the crystal field parameters 10Dq, Ds, and Dt of transition metal phthalocyanines and octaethylporphyrins (Mn, Fe, Co, Ni). The polarization dependence facilitates the assignment of the multiplets in terms of in-plane and out-of-plane orbitals and avoids ambiguities. Crystal field values from density functional calculations provide starting value...

  11. Atmospheric chemistry of perfluorocyclopentene (cyc-CF2CF2CF2CF=CF-): Kinetics, products and mechanism of gas-phase reactions with OH radicals, and atmospheric implications

    Science.gov (United States)

    Zhang, Ni; Uchimaru, Tadafumi; Guo, Qin; Qing, Feiyao; Chen, Liang; Mizukado, Junji

    2017-07-01

    As a high-profile etching gas, perfluorocyclopentene (cyc-CF2CF2CF2CF=CF-) should be assessed for its atmospheric chemistry and environmental impact prior to expanding its industrial applications. However, the corresponding studies have been limited. In this study, the rate constants for the gas-phase reactions of cyc-CF2CF2CF2CF=CF- with OH radicals were determined by a relative rate method, and shown to be consistent with a theoretical computational results: k1-exp.(298 K) = (4.43 ± 0.10) × 10-14, k1-cal.(298 K) = 4.3 × 10-14, and k1-exp.(253-328 K) = (3.39 ± 0.86) × 10-13 exp(-(616 ± 78)/T) cm3 molecule-1 s-1. The atmospheric lifetime of cyc-CF2CF2CF2CF=CF- is 0.715 year, and its photochemical ozone creation potential is 0.48. Furthermore, the products and mechanism of the OH radical-initiated oxidation reactions were studied for the first time. The major products COF2, CO2, CO, and FC(O)OH are considered to have a negligible environmental effect. The radiative efficiency was determined as 0.246 W m-2 ppb-1, and the global warming potentials (GWPs) with 20-, 100-, and 500- year time horizon were estimated as 188, 51, and 15, respectively. The GWP100 value is significantly lower than those of the replacing targets (6630, 11100, 16 100, 23 500, and 9540 for CF4, C2F6, NF3, SF6, and c-C4F8, respectively).

  12. Melt Motion Due to Peltier Marking During Bridgman Crystal Growth with an Axial Magnetic Field

    Science.gov (United States)

    Sellers, C. C.; Walker, John S.; Szofran, Frank R.; Motakef, Shariar

    2000-01-01

    This paper treats a liquid-metal flow inside an electrically insulating cylinder with electrically conducting solids above and below the liquid region. There is a uniform axial magnetic field, and there is an electric current through the liquid and both solids. Since the lower liquid-solid interface is concave into the solid and since the liquid is a better electrical conductor than the adjacent solid, the electric current is locally concentrated near the centerline. The return to a uniform current distribution involves a radial electric current which interacts with the axial magnetic field to drive an azimuthal flow. The axial variation of the centrifugal force due to the azimuthal velocity drives a meridional circulation with radial and axial velocities. This problem models the effects of Peltier marking during the vertical Bridgman growth of semiconductor crystals with an externally applied magnetic field, where the meridional circulation due to the Peltier Current may produce important mixing in the molten semiconductor.

  13. Enhanced electrocaloric cooling in ferroelectric single crystals by electric field reversal

    Science.gov (United States)

    Ma, Yang-Bin; Novak, Nikola; Koruza, Jurij; Yang, Tongqing; Albe, Karsten; Xu, Bai-Xiang

    2016-09-01

    An improved thermodynamic cycle is validated in ferroelectric single crystals, where the cooling effect of an electrocaloric refrigerant is enhanced by applying a reversed electric field. In contrast to the conventional adiabatic heating or cooling by on-off cycles of the external electric field, applying a reversed field is significantly improving the cooling efficiency, since the variation in configurational entropy is increased. By comparing results from computer simulations using Monte Carlo algorithms and experiments using direct electrocaloric measurements, we show that the electrocaloric cooling efficiency can be enhanced by more than 20% in standard ferroelectrics and also relaxor ferroelectrics, like Pb (Mg1 /3 /Nb2 /3)0.71Ti0.29O3 .

  14. Bifurcation properties of nematic liquid crystals exposed to an electric field: Switchability, bistability, and multistability

    KAUST Repository

    Cummings, L. J.

    2013-07-01

    Bistable liquid crystal displays (LCDs) offer the potential for considerable power savings compared with conventional (monostable) LCDs. The existence of two (or more) stable field-free states that are optically distinct means that contrast can be maintained in a display without an externally applied electric field. An applied field is required only to switch the device from one state to the other, as needed. In this paper we examine the basic physical principles involved in generating multiple stable states and the switching between these states. We consider a two-dimensional geometry in which variable surface anchoring conditions are used to control the steady-state solutions and explore how different anchoring conditions can influence the number and type of solutions and whether or not switching is possible between the states. We find a wide range of possible behaviors, including bistability, tristability, and tetrastability, and investigate how the solution landscape changes as the boundary conditions are tuned. © 2013 American Physical Society.

  15. Field analysis of TE and TM modes in photonic crystal Bragg fibers by transmission matrix method

    Directory of Open Access Journals (Sweden)

    M Hosseini Farzad

    2010-03-01

    Full Text Available In this article, we considered the field analysis in photonic crystal Bragg fibers. We apply the method of transmission matrix to calculater the dispersion curves, the longitudinal wave number over wave number versus incident wavelength, and the field distributions of TE and TM modes in the Bragg fiber. Our analysis shows that the field of guided modes is confined in the core and can exist only in particular wavelength bands corresponding to the band-gap of the periodic structure of the clad. From another point of view, light confinement is due to Bragg reflection from high-and low-refractive index layers of the clad. Also, the diagram of average angular frequency with respect to average longitudinal wave number is plotted so that the band gap regions of the clad are clearly observed.

  16. Near-field characterization of low-loss photonic crystal waveguides

    DEFF Research Database (Denmark)

    Volkov, V. S.; Bozhevolnyi, S. I.; Borel, Peter Ingo

    2005-01-01

    A scanning near-field optical microscope is used to directly map the propagation of light in the wavelength range of 1500-1630 nm along straight photonic crystal waveguides (PCWs) fabricated on silicon-on-insulator wafers. The PVWs were formed by removing a single row of holes in the triangular 428......-nm-period lattices with different filling factors (0.76 and 0.82) and connected to access ridge waveguides. Using the near-field optical images we investigate the light propagation along PCWs for TM and TE polarization (the electric field is perpendicular/parallel to the sample surface). Efficient...... guiding (for both samples) of the TM-polarized radiation is observed in the whole range of laser tunability. For TE polarization, the efficient guiding is limited to the wavelengths shorter than 1552 or 1570 nm for the PCW with the filling factor of 0.76 or 0.82, respectively. For longer wavelengths, we...

  17. 3D global analysis of CZ-Si growth in a transverse magnetic field with rotating crucible and crystal

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Lijun; Kakimoto, Koichi [Research Institute for Applied Mechanics, Kyushu University, 6-1, Kasuga-Koen, Kasuga 816-8580 (Japan)

    2005-04-01

    Three-dimensional global simulations were carried out for a small Czochralski furnace for silicon crystal growth with a recently developed global model. The furnace is placed in a transverse magnetic field with rotating crucible and crystal. The convective, conductive and radiative heat transfers in the entire furnace were solved in a three-dimensionally conjugated way. Three-dimensional distributions of temperature and velocity were analyzed. The melt-crystal interface was found to have nearly rotational symmetry, and the azimuthal non-uniformity of temperature is much weaker on the crystal and crucible sidewalls in the case of high rotation rates of crucible and crystal than in the case of non-rotating crucible and crystal. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  18. Theoretical insight into OH- and Cl-initiated oxidation of CF3OCH(CF3)2 and CF3OCF2CF2H & fate of CF3OC(X•)(CF3)2 and CF3OCF2CF2X• radicals (X=O, O2)

    Science.gov (United States)

    Bai, Feng-Yang; Ma, Yuan; Lv, Shuang; Pan, Xiu-Mei; Jia, Xiu-Juan

    2017-01-01

    In this study, the mechanistic and kinetic analysis for reactions of CF3OCH(CF3)2 and CF3OCF2CF2H with OH radicals and Cl atoms have been performed at the CCSD(T)//B3LYP/6-311++G(d,p) level. Kinetic isotope effects for reactions CF3OCH(CF3)2/CF3OCD(CF3)2 and CF3OCF2CF2H/CF3OCF2CF2D with OH and Cl were estimated so as to provide the theoretical estimation for future laboratory investigation. All rate constants, computed by canonical variational transition state theory (CVT) with the small-curvature tunneling correction (SCT), are in reasonable agreement with the limited experimental data. Standard enthalpies of formation for the species were also calculated. Atmospheric lifetime and global warming potentials (GWPs) of the reaction species were estimated, the large lifetimes and GWPs show that the environmental impact of them cannot be ignored. The organic nitrates can be produced by the further oxidation of CF3OC(•)(CF3)2 and CF3OCF2CF2• in the presence of O2 and NO. The subsequent decomposition pathways of CF3OC(O•)(CF3)2 and CF3OCF2CF2O• radicals were studied in detail. The derived Arrhenius expressions for the rate coefficients over 230–350 K are: k T(1) = 5.00 × 10‑24T3.57 exp(‑849.73/T), k T(2) = 1.79 × 10‑24T4.84 exp(‑4262.65/T), kT(3) = 1.94 × 10‑24 T4.18 exp(‑884.26/T), and k T(4) = 9.44 × 10‑28T5.25 exp(‑913.45/T) cm3 molecule‑1 s‑1.

  19. Optical electric-field sensor based on angular optical bias using single β-BaB2O4 crystal.

    Science.gov (United States)

    Li, Changsheng; Shen, Xiaoli; Zeng, Rong

    2013-11-01

    A novel optical electric-field sensor is proposed and demonstrated in experiment by use of a single beta barium borate (β-BaB2O4, BBO) crystal. The optical sensing unit is only composed of one BBO crystal and two polarizers. An optical phase bias of 0.5π is provided by using natural birefringence in the BBO crystal itself. A small angle (e.g., 0.6°) between the sensing light beam and principal axis of the crystal is required in order to produce the above optical bias. Thus the BBO crystal is used as the electric-field-sensing element and quarter waveplate. The ac electric field in the range of (1.4-703.2) kV/m has been measured with measurement sensitivity of 1.39 mV/(kV/m) and nonlinear error of 0.6%. Compared with lithium niobate crystal used as an electric-field sensor, main advantages of the BBO crystal include higher measurement sensitivity, compact configuration, and no ferroelectric ringing effect.

  20. Large field-induced-strain at high temperature in ternary ferroelectric crystals

    Science.gov (United States)

    Wang, Yaojin; Chen, Lijun; Yuan, Guoliang; Luo, Haosu; Li, Jiefang; Viehland, D.

    2016-10-01

    The new generation of ternary Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3 ferroelectric single crystals have potential applications in high power devices due to their surperior operational stability relative to the binary system. In this work, a reversible, large electric field induced strain of over 0.9% at room temperature, and in particular over 0.6% above 380 K was obtained. The polarization rotation path and the phase transition sequence of different compositions in these ternary systems have been determined with increasing electric field applied along [001] direction based on x-ray diffraction data. Thereafter, composition dependence of field-temperature phase diagrams were constructed, which provide compositional and thermal prospectus for the electromechanical properties. It was found the structural origin of the large stain, especially at higher temperature is the lattice parameters modulated by dual independent variables in composition of these ternary solid solution crystals.

  1. Linearly first- and second-order, unconditionally energy stable schemes for the phase field crystal model

    Science.gov (United States)

    Yang, Xiaofeng; Han, Daozhi

    2017-02-01

    In this paper, we develop a series of linear, unconditionally energy stable numerical schemes for solving the classical phase field crystal model. The temporal discretizations are based on the first order Euler method, the second order backward differentiation formulas (BDF2) and the second order Crank-Nicolson method, respectively. The schemes lead to linear elliptic equations to be solved at each time step, and the induced linear systems are symmetric positive definite. We prove that all three schemes are unconditionally energy stable rigorously. Various classical numerical experiments in 2D and 3D are performed to validate the accuracy and efficiency of the proposed schemes.

  2. Light quasiparticles dominate electronic transport in molecular crystal field-effect transistors

    Energy Technology Data Exchange (ETDEWEB)

    Li, Z. Q.; Podzorov, V.; Sai, N.; Martin, Michael C.; Gershenson, M. E.; Di Ventra, M.; Basov, D. N.

    2007-03-01

    We report on an infrared spectroscopy study of mobile holes in the accumulation layer of organic field-effect transistors based on rubrene single crystals. Our data indicate that both transport and infrared properties of these transistors at room temperature are governed by light quasiparticles in molecular orbital bands with the effective masses m[small star, filled]comparable to free electron mass. Furthermore, the m[small star, filled]values inferred from our experiments are in agreement with those determined from band structure calculations. These findings reveal no evidence for prominent polaronic effects, which is at variance with the common beliefs of polaron formation in molecular solids.

  3. Electrical Impact of SiC Structural Crystal Defects on High Electric Field Devices (Invited)

    Science.gov (United States)

    Neudeck, Philip G.

    1999-01-01

    As illustrated by the invited paper at this conference and other works, SiC wafers and epilayers contain a variety of crystallographic imperfections, including micropipes, closed-core screw dislocations, grain boundaries, basal plane dislocations, heteropolytypic inclusions, and surfaces that are often damaged and contain atomically rough features like step bunching and growth pits or hillocks. Present understanding of the operational impact of various crystal imperfections on SiC electrical devices is reviewed, with an emphasis placed on high-field SiC power devices and circuits.

  4. Ambipolar Cu- and Fe-Phthalocyanine single-crystal field-effect transistors

    OpenAIRE

    de Boer, R. W. I.; Stassen, A. F.; Craciun, M. F.; Mulder, C. L.; Molinari, A; Rogge, S.; Morpurgo, A. F.

    2005-01-01

    We report the observation of ambipolar transport in field-effect transistors fabricated on single crystals of Copper- and Iron-Phthalocyanine, using gold as a high work-function metal for the fabrication of source and drain electrodes. In these devices, the room-temperature mobility of holes reaches 0.3 cm$^2$/Vs in both materials. The highest mobility for electrons is observed for Iron-Phthalocyanines and is approximately one order of magnitude lower. Our measurements indicate that these val...

  5. Electric field induced domain formation in surface stabilized ferroelectric liquid crystal cells

    OpenAIRE

    Dierking, Ingo; Gießelmann, Frank; Schacht, Jochen; Zugenmaier, Peter

    1994-01-01

    Two types of domains have been observed for S sub(C) ferroelectric liquid crystals in surface stabilized cells (SSFLC) by application of a high electric field with the smectic layers tilted by the amount of the chevron angle with respect to the normal of the rubbing direction in the substrate plane. The layer structure resembles that of a chevron configuration in the plane of the substrate similar to the recently reported stripe-shaped SSFLC structure. The two domain types 'appear' to switch ...

  6. Field induced microwave absorption in single crystal Bi (2212): Evidence for a superconductive glass state

    Energy Technology Data Exchange (ETDEWEB)

    Tyagi, S.; Gould, A.; Bhagat, S.M. (Centre for Research on Superconductivity, Dept. of Physics, Univ. of Maryland, College Park (USA)); Manheimer, M.A. (Lab. for Physical Sciences, College Park, MD (USA))

    1989-12-01

    The field induced microwave absorption P(H) at 35 GHz in Bi 2212 micaceous single crystals exhibits remarkable variations as temperature is increased from 1.3 K to Tc. For T< or approx.16 K, the hysteresis loops are highly reminiscent of those observed in spin glasses. At 30< or approx.T< or approx.50 K, they resemble those of a Type II superconductor. As suggested by the magnetization data, the micaceous nature causes a large enhancement in P(H) for 50

  7. Tunable far-field acoustic imaging by two-dimensional sonic crystal with concave incident surface

    Science.gov (United States)

    Shen, Feng-Fu; Lu, Dan-Feng; Zhu, Hong-Wei; Ji, Chang-Ying; Shi, Qing-Fan

    2017-01-01

    An additional concave incident surface comprised of two-dimensional (2D) sonic crystals (SCs) is employed to tune the acoustic image in the far-field region. The tunability is realized through changing the curvature of the concave surface. To explain the tuning mechanism, a simple ray-trace analysis is demonstrated based on the wave-beam negative refractive law. Then, a numerical confirmation is carried out. Results show that both the position and the intensity of the image can be tuned by the introduced concave surface.

  8. Rigorous analysis of an electric-field-driven liquid crystal lens for 3D displays

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Bong-Sik; Lee, Seung-Chul; Park, Woo-Sang [Inha University, Incheon (Korea, Republic of)

    2014-08-15

    We numerically analyzed the optical performance of an electric field driven liquid crystal (ELC) lens adopted for 3-dimensional liquid crystal displays (3D-LCDs) through rigorous ray tracing. For the calculation, we first obtain the director distribution profile of the liquid crystals by using the Erickson-Leslie motional equation; then, we calculate the transmission of light through the ELC lens by using the extended Jones matrix method. The simulation was carried out for a 9 view 3D-LCD with a diagonal of 17.1 inches, where the ELC lens was slanted to achieve natural stereoscopic images. The results show that each view exists separately according to the viewing position at an optimum viewing distance of 80 cm. In addition, our simulation results provide a quantitative explanation for the ghost or blurred images between views observed from a 3D-LCD with an ELC lens. The numerical simulations are also shown to be in good agreement with the experimental results. The present simulation method is expected to provide optimum design conditions for obtaining natural 3D images by rigorously analyzing the optical functionalities of an ELC lens.

  9. Numerical analysis of near and far field patterns of second-harmonic generation with tiling nonlinear optical crystals

    Energy Technology Data Exchange (ETDEWEB)

    Harimoto, T [Interdisciplinary Graduate School of Medicine and Engineering, University of Yamanashi, 4-3-11 Kofu, Yamanashi 400-8511 (Japan); Shiraga, H [Institute of Laser Engineering, Osaka University, Suita, Osaka (Japan)], E-mail: harimoto@yamanashi.ac.jp

    2008-05-01

    We report numerical analysis of near- and far-field patterns of the second-harmonic wave in a large-scale high-power laser used in the laser fusion with type I KDP crystals arranged in a tiling style. The thickness and phase-matching angle of the tiling crystals are designed based on the near-field pattern of the second-harmonic wave. The tilting angle error and thickness difference of the tiling crystals are evaluated by the energy distribution included in the Airy spot of the far-field pattern at the focal point. The parallelism and flatness of the tiling crystals can also be estimated with the same method.

  10. Ionization of Atoms and the Thomas-Fermi Model for the Electric Field in Crystal Planar Channels

    Institute of Scientific and Technical Information of China (English)

    LIUYing-Tai; ZHANGQi-Ren; 等

    2002-01-01

    The electric field in the crystal planar channels is studied by the Thomas-Fermi method.The ThomasFermi equation and the corresponding boundary conditions are derived for the crystal palanar channels,The numerical solution for the elctric field in the channels between(110) Planes of the single crystal silicaon and the critical angles of channelling protons in them are shown.Reasonable agreements with the experimental data are obtained.The results show that the Thomas-Fermi method for the crystal works well in this study,and a microscopic research of the channel electric field with the contribution of all atoms and the atomic ionization being taken into account is practical.

  11. Bremsstrahlung emission of photons accompanying ternary fission of 252Cf

    Science.gov (United States)

    Maydanyuk, S. P.; Olkhovsky, V. S.; Mandaglio, G.; Manganaro, M.; Fazio, G.; Giardina, G.; Saccá, C.

    2011-02-01

    We present the first results on the bremsstrahlung emission of photons accompanying ternary spontaneous fission of the 252Cf nucleus. We also compare our calculations on the basis of quantum model with preliminary experimental data and find a good agreement between theory and experiment for photon energies up to 500 keV, when the α-particle emission is in presence of the field of two fission fragments of the daughter nucleus.

  12. A Phase Field Technique for Modeling and Predicting Flow Induced Crystallization Morphology of Semi-Crystalline Polymers

    Directory of Open Access Journals (Sweden)

    Xiaodong Wang

    2016-06-01

    Full Text Available Flow induced crystallization of semi-crystalline polymers is an important issue in polymer science and engineering because the changes in morphology strongly affect the properties of polymer materials. In this study, a phase field technique considering polymer characteristics was established for modeling and predicting the resulting morphologies. The considered crystallization process can be divided into two stages, which are nucleation upon the flow induced structures and subsequent crystal growth after the cessation of flow. Accordingly, the proposed technique consists of two parts which are a flow induced nucleation model based on the calculated information of molecular orientation and stretch, and a phase field crystal growth model upon the oriented nuclei. Two-dimensional simulations are carried out to predict the crystallization morphology of isotactic polystyrene under an injection molding process. The results of these simulations demonstrate that flow affects crystallization morphology mainly by producing oriented nuclei. Specifically, the typical skin-core structures along the thickness direction can be successfully predicted. More importantly, the results reveal that flow plays a dominant part in generating oriented crystal morphologies compared to other parameters, such as anisotropy strength, crystallization temperature, and physical noise.

  13. Preparation of AgCl Nano-Crystal Embedded Tellurite Nonlinear Optical Glasses under Electric Field Accompanied Heat Treatment

    Institute of Scientific and Technical Information of China (English)

    Jian LIN; Wenhai HUANG; Bofang LI; Chong JIN; Changcheng LIU; Shuhua LEI; Zhenrong SUN

    2008-01-01

    The quantum effect of nano-crystals is an important factor to improve nonlinear optical performance of nano-crystal embedded glasses,while controlling the size distribution and content of nano-crystals in the glass accurately is a key to obtain good quality.The auxiliary direct current electric field,accompanied with heat treatment,was applied on AgCl containing niobic tellurite glass sheet.The nucleation and crystallization of the glass were well controlled under auxiliary electric field.It was found that the average size of AgCl nano-crystal particles in the glass is smaller than that under single heat treatment,and the content of nano-crystals is higher.Therefore the third-order nonlinear optical performance of the glass was increased a lot.The local-area distributed AgCl nano-crystal particles can also be embedded into a glass sheet by using locally applied electric field.

  14. Electrostimulation of the magnetoplastic effect in LiF crystals by an "internal" electric field induced during indentation

    Science.gov (United States)

    Galustashvili, M. V.; Driaev, D. G.; Akopov, F. Kh.; Tsakadze, S. D.

    2013-08-01

    Indented LiF crystals demonstrate a change in the length of the dislocation rosette rays during their exposure to jointly acting dc magnetic and electric fields. It is shown that magnetic field with induction B = 1 T causes the electrostimulation or electrosuppression depending on the magnitude and direction of the external electric field with respect to the "internal" electric field induced by the charge transfer due to dislocations moving during the indentation.

  15. High-mobility field-effect transistors from large-area solution-grown aligned C60 single crystals.

    Science.gov (United States)

    Li, Hanying; Tee, Benjamin C-K; Cha, Judy J; Cui, Yi; Chung, Jong Won; Lee, Sang Yoon; Bao, Zhenan

    2012-02-08

    Field-effect transistors based on single crystals of organic semiconductors have the highest reported charge carrier mobility among organic materials, demonstrating great potential of organic semiconductors for electronic applications. However, single-crystal devices are difficult to fabricate. One of the biggest challenges is to prepare dense arrays of single crystals over large-area substrates with controlled alignment. Here, we describe a solution processing method to grow large arrays of aligned C(60) single crystals. Our well-aligned C(60) single-crystal needles and ribbons show electron mobility as high as 11 cm(2)V(-1)s(-1) (average mobility: 5.2 ± 2.1 cm(2)V(-1)s(-1) from needles; 3.0 ± 0.87 cm(2)V(-1)s(-1) from ribbons). This observed mobility is ~8-fold higher than the maximum reported mobility for solution-grown n-channel organic materials (1.5 cm(2)V(-1)s(-1)) and is ~2-fold higher than the highest mobility of any n-channel organic material (~6 cm(2)V(-1)s(-1)). Furthermore, our deposition method is scalable to a 100 mm wafer substrate, with around 50% of the wafer surface covered by aligned crystals. Hence, our method facilitates the fabrication of large amounts of high-quality semiconductor crystals for fundamental studies, and with substantial improvement on the surface coverage of crystals, this method might be suitable for large-area applications based on single crystals of organic semiconductors.

  16. Near-field imaging of light propagation in photonic crystal waveguides: Explicit role of Bloch harmonics

    DEFF Research Database (Denmark)

    Bozhevolnyi, Sergey I.; Volkov, V.S.; Søndergaard, Thomas;

    2002-01-01

    We employ a collection scanning near-field optical microscope (SNOM) to image the propagation of light at telecommunication wavelengths along straight and bent regions of silicon-on-insulator photonic crystal waveguides (PCWs) formed by removing a single row of holes in the triangular 410-nm......-period lattice along the GammaM direction of the irreducible Brillouin zone. We obtain high quality SNOM images of PCWs excited in the wavelength range of 1520-1570 nm, which indicate good PCW mode confinement and low propagation loss. Using averaged cross sections of the intensity distributions before and after...... the interference between a quasihomogeneous background field and Bloch harmonics of the PCW mode, we account for spatial frequency spectra of the intensity variations and determine the propagation constant of the PCW mode at 1520 nm. The possibilities and limitations of SNOM imaging for the characterization...

  17. Extensional flow of nematic liquid crystal with an applied electric field

    KAUST Repository

    CUMMINGS, L. J.

    2013-10-17

    Systematic asymptotic methods are used to formulate a model for the extensional flow of a thin sheet of nematic liquid crystal. With no external body forces applied, the model is found to be equivalent to the so-called Trouton model for Newtonian sheets (and fibres), albeit with a modified \\'Trouton ratio\\'. However, with a symmetry-breaking electric field gradient applied, behaviour deviates from the Newtonian case, and the sheet can undergo finite-time breakup if a suitable destabilizing field is applied. Some simple exact solutions are presented to illustrate the results in certain idealized limits, as well as sample numerical results to the full model equations. Copyright © Cambridge University Press 2013.

  18. Nonlinear response and dynamical transitions in a phase-field crystal model for adsorbed overlayers

    Energy Technology Data Exchange (ETDEWEB)

    Ramos, J A P [Departamento de Ciencias Exatas, Universidade Estadual do Sudoeste da Bahia, 45000-000 Vitoria da Conquista, BA (Brazil); Granato, E [Laboratorio Associado de Sensores e Materiais, Instituto Nacional de Pesquisas Espaciais, 12245-970 Sao Jose dos Campos, SP (Brazil); Ying, S C; Ala-Nissila, T [Department of Physics, PO Box 1843, Brown University, Providence, RI 02912-1843 (United States); Achim, C V [Department of Applied Physics, Aalto University School of Science and Technology, PO Box 11000, FI-00076 Aalto, Espoo (Finland); Elder, K R, E-mail: Jorge@las.inpe.b [Department of Physics, Oakland University, Rochester, Michigan 48309-4487 (United States)

    2010-09-01

    The nonlinear response and sliding friction behavior of a phase-field crystal model for driven adsorbed atomic layers is determined numerically. The model describes the layer as a continuous density field coupled to the pinning potential of the substrate and under an external driving force. Dynamical equations which take into account both thermal fluctuations and inertial effects are used for numerical simulations of commensurate and incommensurate layers. At low temperatures, the velocity response of an initially commensurate layer shows hysteresis with dynamical melting and freezing transitions at different critical forces. The main features of the sliding friction behavior are similar to the results obtained previously from molecular dynamics simulations of particle models. However, the dynamical transitions correspond to nucleations of stripes rather than closed domains.

  19. Long-wavelength properties of phase-field-crystal models with second-order dynamics

    Science.gov (United States)

    Heinonen, V.; Achim, C. V.; Ala-Nissila, T.

    2016-05-01

    The phase-field-crystal (PFC) approach extends the notion of phase-field models by describing the topology of the microscopic structure of a crystalline material. One of the consequences is that local variation of the interatomic distance creates an elastic excitation. The dynamics of these excitations poses a challenge: pure diffusive dynamics cannot describe relaxation of elastic stresses that happen through phonon emission. To this end, several different models with fast dynamics have been proposed. In this article we use the amplitude expansion of the PFC model to compare the recently proposed hydrodynamic PFC amplitude model with two simpler models with fast dynamics. We compare these different models analytically and numerically. The results suggest that in order to have proper relaxation of elastic excitations, the full hydrodynamical description of the PFC amplitudes is required.

  20. Mean-Field Limit and Phase Transitions for Nematic Liquid Crystals in the Continuum

    Science.gov (United States)

    Bachmann, Sven; Genoud, François

    2017-08-01

    We discuss thermotropic nematic liquid crystals in the mean-field regime. In the first part of this article, we rigorously carry out the mean-field limit of a system of N rod-like particles as N→ ∞, which yields an effective `one-body' free energy functional. In the second part, we focus on spatially homogeneous systems, for which we study the associated Euler-Lagrange equation, with a focus on phase transitions for general axisymmetric potentials. We prove that the system is isotropic at high temperature, while anisotropic distributions appear through a transcritical bifurcation as the temperature is lowered. Finally, as the temperature goes to zero we also prove, in the concrete case of the Maier-Saupe potential, that the system converges to perfect nematic order.

  1. Nanoscale mechanical actuation and near-field read-out of photonic crystal molecules

    Science.gov (United States)

    Petruzzella, M.; La China, F.; Intonti, F.; Caselli, N.; De Pas, M.; van Otten, F. W. M.; Gurioli, M.; Fiore, A.

    2016-09-01

    We employed the contact forces induced by a near-field tip to tune and probe the optical resonances of a mechanically compliant photonic crystal molecule. Here, the pressure induced by the near-field tip is exploited to control the spectral proprieties of the coupled cavities in an ultrawide spectral range, demonstrating a reversible mode shift of 37.5 nm . Besides, by monitoring the coupling strength variation due to the vertical nanodeformation of the dielectric structure, distinct tip-sample interaction regimes have been unambiguously reconstructed with a nano-Newton sensitivity. These results demonstrate an optical method for mapping mechanical forces at the nanoscale with a lateral spatial resolution below 100 nm.

  2. Bicritical universality of the anisotropic Heisenberg model in a crystal field.

    Science.gov (United States)

    Freire, R T S; Plascak, J A

    2015-03-01

    The bicritical properties of the three-dimensional classical anisotropic Heisenberg model in a crystal field are investigated through extensive Monte Carlo simulations on a simple cubic lattice, using Metropolis and Wolff algorithms. Field-mixing and multidimensional histogram techniques were employed in order to compute the probability distribution function of the extensive conjugate variables of interest and, using finite-size scaling analysis, the first-order transition line of the model was precisely located. The fourth-order cumulant of the order parameter was then calculated along this line and the bicritical point located with good precision from the cumulant crossings. The bicritical properties of this point were further investigated through the measurement of the universal probability distribution function of the order parameter. The results lead us to conclude that the studied bicritical point belongs in fact to the three-dimensional Heisenberg universality class.

  3. Sternheimer Factors and Electric-Field-Gradient Hyperpolarisabilities for Ions in Crystals

    Science.gov (United States)

    Fowler, P. W.; Kelly, H. M.

    1994-02-01

    Analytic coupled Hartree-Fock calculations of the electric field gradient response properties y (the Sternheimer shielding factor) and e (the dipole-dipole-electric field gradient hyperpolarisability) have been carried out on anions in clusters that simulate that crystal environment. The systems studied are F- in LiF and NaF, Cl- in LiCl and NaCl, O2-in MgO, S2- in MgS, and H- in LiH. Both properties show large reductions from free-ion values and significant variation with lattice parameter, and the results indicate that damped values of anion Sternheimer factors will be necessary in accurate simulation of N Q R data or modelling of properties of ion-pairs.

  4. Large piezoelectricity in electric-field modified single crystals of SrTiO3

    Science.gov (United States)

    Khanbabaee, B.; Mehner, E.; Richter, C.; Hanzig, J.; Zschornak, M.; Pietsch, U.; Stöcker, H.; Leisegang, T.; Meyer, D. C.; Gorfman, S.

    2016-11-01

    Defect engineering is an effective and powerful tool to control the existing material properties and produce completely new ones, which are symmetry-forbidden in a defect-free crystal. For example, the application of a static electric field to a single crystal of SrTiO3 forms a strained near-surface layer through the migration of oxygen vacancies out of the area beneath the positively charged electrode. While it was previously shown that this near-surface phase holds pyroelectric properties, which are symmetry-forbidden in centrosymmetric bulk SrTiO3, this paper reports that the same phase is strongly piezoelectric. We demonstrate the piezoelectricity of this phase through stroboscopic time-resolved X-ray diffraction under alternating electric field and show that the effective piezoelectric coefficient d33 ranges between 60 and 100 pC/N. The possible atomistic origins of the piezoelectric activity are discussed as a coupling between the electrostrictive effect and spontaneous polarization of this near-surface phase.

  5. Precise Patterning of Organic Single Crystals via Capillary-Assisted Alternating-Electric Field.

    Science.gov (United States)

    Zhang, Yedong; Jie, Jiansheng; Sun, Yuning; Jeon, Seok-Gy; Zhang, Xiujuan; Dai, Gaole; Lee, Cheol Jin; Zhang, Xiaohong

    2017-07-01

    Owing to the extraordinary properties, organic micro/nanocrystals are important building blocks for future low-cost and high-performance organic electronic devices. However, integrated device application of the organic micro/nanocrystals is hampered by the difficulty in high-throughput, high-precision patterning of the micro/nanocrystals. In this study, the authors demonstrate, for the first time, a facile capillary-assisted alternating-electric field method for the large-scale assembling and patterning of both 0D and 1D organic crystals. These crystals can be precisely patterned at the photolithography defined holes/channels at the substrate with the yield up to 95% in 1 mm(2) . The mechanism of assembly kinetics is systematically studied by the electric field distribution simulation and experimental investigations. By using the strategy, various organic micro/nanocrystal patterns are obtained by simply altering the geometries of the photoresist patterns on substrates. Moreover, ultraviolet photodetectors based on the patterned Alq3 micro/nanocrystals exhibit visible-blind photoresponse with high sensitivity as well as excellent stability and reproducibility. This work paves the way toward high-integration, high-performance organic electronic, and optoelectronic devices from the organic micro/nanocrystals. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Spectroscopic and crystal-field analysis of new Yb-doped laser materials

    Energy Technology Data Exchange (ETDEWEB)

    Haumesser, Paul-Henri; Gaume, Romain; Antic-Fidancev, Elisabeth; Vivien, Daniel; Viana, Bruno [Laboratoire de Chimie Appliquee de l' Etat Solide UMR 75 74, ENSCP, Paris (France)]. E-mail: viana@ext.jussieu.fr

    2001-06-11

    Crystal-field effects are very important as far as laser performances of Yb-doped materials are concerned. In order to simplify the interpretation of low-temperature spectra, two tools derived from a careful examination of crystal-field interaction are presented. Both approaches are successfully applied in the case of new Yb-doped materials, namely Ca{sub 3}Y{sub 2}(BO{sub 3}){sub 4} (CYB), Ca{sub 3}Gd{sub 2}(BO{sub 3}){sub 4} (CaGB), Sr{sub 3}Y(BO{sub 3}){sub 3} (SrYBO), Ba{sub 3}Lu(BO{sub 3}){sub 3} (BLuB), Y{sub 2}SiO{sub 5} (YSO), Ca{sub 2}Al{sub 2}SiO{sub 7} (CAS) and SrY{sub 4}(SiO{sub 4}){sub 3}O (SYS). The {sup 2}F{sub 7/2} splitting is particularly large in these materials and favourable to a quasi-three-level laser operating scheme. Calculations performed using the point charge electrostatic model for these compounds and using a consistent set of effective atomic charges confirm the experimental results. This should permit to use this model in a predictive approach. (author)

  7. Fluctuations in the Microwave Conductivity of YBCO Single Crystals in Zero DC Magnetic Field

    Science.gov (United States)

    Anlage, Steven; Mao, Jian; Booth, James; Wu, Dong-Ho; Peng, J. L.

    1996-03-01

    We present a quantitative analysis of finite frequency fluctuation conductivity above and below Tc in cuprate superconductors in zero dc magnetic field.(S. M. Anlage, J. Mao, J. C. Booth, D. H. Wu, and J. L. Peng, Phys. Rev. B 53), Feb. 1, 1996. In a YBa_2Cu_3O_7-δ crystal showing a linear in temperature increase of the magnetic penetration depth at low temperatures, we find that two-dimensional finite-frequency Gaussian conductivity fluctuations above Tc cross over into a slower divergence of the conductivity as Tc is approached from above. We find that the critical regime above Tc is less than about 0.6 K wide, although inhomogeneities in the crystal may also dominate the conductivity in this temperature range. At and below T_c, 3D fluctuations dominate the conductivity, with evidence of 3D XY critical scaling of the imaginary part of the conductivity down to 5 K below T_c. Supported by the NSF NYI program (DMR-9258183), and NSF grant DMR-9123198.

  8. Exchange and crystal field in Sm-based magnets. II. Phenomenological analysis and density functional calculations

    Science.gov (United States)

    Kuz'Min, Michael D.; Steinbeck, Lutz; Richter, Manuel

    2002-02-01

    A technique of determining the exchange field Bex on the 4f shell of Sm atoms in Sm-based magnets is proposed. It makes use of the 4f intermultiplet transition in Sm, observed in inelastic neutron scattering (INS) experiments. The method is used to analyze previously published data for a number of Sm-Fe and Sm-Co intermetallics, for all of which Bex is determined. Additional information on intramultiplet transitions in SmCo5 and Sm2Co17 makes it possible to obtain more accurate Bex values as well as to estimate the leading crystal field parameter (CFP) A02 for these compounds. For the same systems an independent determination of A02 is carried out using published magnetization curves and the Bex values found from the INS spectra. The two ``experimental'' values of A02 (INS and magnetization) agree well. For comparison, theoretical Sm-Co exchange fields and CFP for SmCo5 and Sm2Co17 are obtained from full-potential density-functional calculations. The theoretical A02 are shifted toward more negative values with respect to their experimental counterparts by a few millielectronvolts. The calculated Sm-Co exchange fields are in fair agreement with the experimentally determined values of the total exchange field on Sm, Bex, the weak Sm-Sm exchange interaction being accountable for the remaining small discrepancies.

  9. Synchrotron radiation topographic observation of KTiOPO4 crystals under an electric field

    Institute of Scientific and Technical Information of China (English)

    1999-01-01

    In situ white-beam synchrotron radiation topographic observations under an electric field have been made on the KTiOPO4(KTP) family of crystals.The investigation shows a strong enhancement of diffracted intensity for hkl reflections(l≠0) and topographic contrast in the form of fine striations when the external electric field is parallel to the polar axis.Severalk kinds of doped and undoped samples with various grown-in defects,such as domain boundaries.growth striations,growth-sector boundaries.dislocations.etc.,have been studied in detail.The results suggest that these defects have very little effect on the field-induced striations,It is believed that the movement of K+ ions driven by the electric field leads to a local accumulation of charges and a lattice distortion.The stronly anisotropic conductivity is a governing factor in the explanation of the field-related phenomena in this kind of quasi-one-dimensional conductor.

  10. High-resolution magnetic field imaging with a nitrogen-vacancy diamond sensor integrated with a photonic-crystal fiber.

    Science.gov (United States)

    Fedotov, I V; Blakley, S M; Serebryannikov, E E; Hemmer, P; Scully, M O; Zheltikov, A M

    2016-02-01

    We demonstrate high-resolution magnetic field imaging with a scanning fiber-optic probe which couples nitrogen-vacancy (NV) centers in diamond to a high-numerical-aperture photonic-crystal fiber integrated with a two-wire microwave transmission line. Magnetic resonance excitation of NV centers driven by the microwave field is read out through optical interrogation through the photonic-crystal fiber to enable high-speed, high-sensitivity magnetic field imaging with sub 30 μm spatial resolution.

  11. Influence of spin-orbit interactions on the cubic crystal-field states of the d4 system*

    OpenAIRE

    Radwanski, R. J.; Ropka, Z.

    2002-01-01

    It has been shown that for the highly-correlated d4 electronic system the spin-orbit interactions produce, even in case of the cubic crystal-field interactions, a singlet ground state. Its magnetic moment grows rapidly with the applied magnetic field approaching 4 uB for the Eg state, but only 3 uB for the T2g state. The applicability of the present results to the Mn3+ ion in LaMnO3 is discussed. Keywords: crystal-field, spin-orbit, orbital moment. PACS: 71.70.E, 75.10.D

  12. In-Situ Alignment of MnBi Crystals Induced by High Magnetic Field above Curie Temperature

    Institute of Scientific and Technical Information of China (English)

    LIU Yong-Sheng; ZHANG Jin-Cang; REN Zhong-Ming; CAO Shi-Xun

    2007-01-01

    @@ Above Curie temperature, MnBi crystals are aligned in situ along the c-axis in a Bi matrix by a high fabrication magnetic field Hf of 10 T. Magnetic testing shows a pronounced anisotropy in magnetization in directions normal and parallel to the fabrication field, resulting from the alignment. The successful alignment may result from the fact that the easy magnetization direction is along the c-axis of MnBi and the high fabrication field of 10 T is large enough to rotate the MnBi crystal to this direction even though the temperature is above the Curie temperature.

  13. A Photonic Crystal Magnetic Field Sensor Using a Shoulder-Coupled Resonant Cavity Infiltrated with Magnetic Fluid.

    Science.gov (United States)

    Su, Delong; Pu, Shengli; Mao, Lianmin; Wang, Zhaofang; Qian, Kai

    2016-12-16

    A kind of photonic crystal magnetic field sensor is proposed and investigated numerically. The shoulder-coupled resonant cavity is introduced in the photonic crystal, which is infiltrated with magnetic fluid. Through monitoring the shift of resonant wavelength, the magnetic field sensing is realized. According to the designed infiltration schemes, both the magnetic field sensitivity and full width at half maximum increase with the number of infiltrated air holes. The figure of merit of the structure is defined to evaluate the sensing performance comprehensively. The best structure corresponding to the optimal infiltration scheme with eight air holes infiltrated with magnetic fluid is obtained.

  14. Properties of the ground state in a spin-2 transverse Ising model with the presence of a crystal field

    Institute of Scientific and Technical Information of China (English)

    姜伟; 魏国柱; 杜安; 张起

    2002-01-01

    The properties of the ground state in the spin-2 transverse Ising model with the presence of a crystal field arestudied by using the effective-field theory with correlations. The longitudinal and transverse magnetizations, the phasediagram and the internal energy in the ground state are given numerically for a honeycomb lattice (z=3).

  15. Viewing angle switching of liquid crystal display using fringe-field switching to control off-axis phase retardation

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Young Jin; Kim, Jin Ho; Her, Jung Hwa; Lee, Seung Hee [Polymer BIN Fusion Research Center, Department of Polymer Nano-Science and Technology, Chonbuk National University, Chonju, Chonbuk 561-756 (Korea, Republic of); Park, Kyoung Ho; Lee, Joun Ho; Kim, Byeong Koo [Mobile Product Development Department, LG Display Company, Ltd, Gumi, Gyungbuk 730-350 (Korea, Republic of); Kang, Wan-Seok; Lee, Gi-Dong, E-mail: gdlee@dau.ac.k, E-mail: lsh1@chonbuk.ac.k [Department of Electronics Engineering, Dong-A University, Pusan 604-714 (Korea, Republic of)

    2010-03-03

    A viewing angle switchable liquid crystal display associated with fringe-field switching mode is proposed. In the device, one pixel is composed of a main pixel and a sub-pixel, in which both pixels are formed to generate a fringe electric field. However, the field directions are different from each other so that in the main pixel, the fringe field rotates the liquid crystal for displaying the main image, whereas it controls only the tilt angle of the liquid crystal without rotating in the sub-pixel region. In this way, phase retardation to cause leakage of light at the off-normal axis can be generated in the sub-pixel, and by utilizing the light, the main displayed image in the normal direction can be blocked in the oblique viewing direction.

  16. Tunable Lamb wave band gaps in two-dimensional magnetoelastic phononic crystal slabs by an applied external magnetostatic field.

    Science.gov (United States)

    Zhou, Changjiang; Sai, Yi; Chen, Jiujiu

    2016-09-01

    This paper theoretically investigates the band gaps of Lamb mode waves in two-dimensional magnetoelastic phononic crystal slabs by an applied external magnetostatic field. With the assumption of uniformly oriented magnetization, an equivalent piezomagnetic material model is used. The effects of magnetostatic field on phononic crystals are considered carefully in this model. The numerical results indicate that the width of the first band gap is significantly changed by applying the external magnetic field with different amplitude, and the ratio between the maximum and minimum gap widths reaches 228%. Further calculations demonstrate that the orientation of the magnetic field obviously affects the width and location of the first band gap. The contactless tunability of the proposed phononic crystal slabs shows many potential applications of vibration isolation in engineering. Copyright © 2016 Elsevier B.V. All rights reserved.

  17. Investigation of the linear and second-order nonlinear optical properties of molecular crystals within the local field theory.

    Science.gov (United States)

    Seidler, Tomasz; Stadnicka, Katarzyna; Champagne, Benoît

    2013-09-21

    In this paper it is shown that modest calculations combining first principles evaluations of the molecular properties with electrostatic interaction schemes to account for the crystal environment effects are reliable for predicting and interpreting the experimentally measured electric linear and second-order nonlinear optical susceptibilities of molecular crystals within the experimental error bars. This is illustrated by considering two molecular crystals, namely: 2-methyl-4-nitroaniline and 4-(N,N-dimethylamino)-3-acetamidonitrobenzene. Three types of surrounding effects should be accounted for (i) the polarization due to the surrounding molecules, described here by static electric fields originating from their electric dipoles or charge distributions, (ii) the intermolecular interactions, which affect the geometry and particularly the molecular conformation, and (iii) the screening of the external electric field by the constitutive molecules. This study further highlights the role of electron correlation on the linear and nonlinear responses of molecular crystals and the challenge of describing frequency dispersion.

  18. Spectrum average cross section measurement of (183)W (n, p)(183)Ta and (184)W (n, p)(184)Ta reaction cross section in (252)Cf(sf) neutron field.

    Science.gov (United States)

    Makwana, Rajnikant; Mukherjee, S; Snoj, L; S Barala, S; Mehta, M; Mishra, P; Tiwari, S; Abhangi, M; Khirwadkar, S; Naik, H

    2017-09-01

    Neutron induced nuclear reactions are of prime importance for both fusion and fission nuclear reactor technology. Present work describes the first time measurement of spectrum average cross section of nuclear reactions (183)W(n,p)(183)Ta and (184)W(n,p)(184)Ta using (252)Cf spontaneous fission neutron source. Standard neutron activation analysis (NAA) technique was used. The neutron spectra were calculated using Monte Carlo N Particle Code (MCNP). The effects of self-shielding and back scattering were taken into account by optimizing the detector modeling. These effects along with efficiency of detector were corrected for volume sample in the actual source-detector geometry. The measured data were compared with the previously measured data available in Exchange Format (EXFOR) data base and evaluated data using EMPIRE - 3.2.2. Copyright © 2017 Elsevier Ltd. All rights reserved.

  19. Ferroelectric Single-Crystal Gated Graphene/Hexagonal-BN/Ferroelectric Field-Effect Transistor.

    Science.gov (United States)

    Park, Nahee; Kang, Haeyong; Park, Jeongmin; Lee, Yourack; Yun, Yoojoo; Lee, Jeong-Ho; Lee, Sang-Goo; Lee, Young Hee; Suh, Dongseok

    2015-11-24

    The effect of a ferroelectric polarization field on the charge transport in a two-dimensional (2D) material was examined using a graphene monolayer on a hexagonal boron nitride (hBN) field-effect transistor (FET) fabricated using a ferroelectric single-crystal substrate, (1-x)[Pb(Mg1/3Nb2/3)O3]-x[PbTiO3] (PMN-PT). In this configuration, the intrinsic properties of graphene were preserved with the use of an hBN flake, and the influence of the polarization field from PMN-PT could be distinguished. During a wide-range gate-voltage (VG) sweep, a sharp inversion of the spontaneous polarization affected the graphene channel conductance asymmetrically as well as an antihysteretic behavior. Additionally, a transition from antihysteresis to normal ferroelectric hysteresis occurred, depending on the V(G) sweep range relative to the ferroelectric coercive field. We developed a model to interpret the complex coupling among antihysteresis, current saturation, and sudden conductance variation in relation with the ferroelectric switching and the polarization-assisted charge trapping, which can be generalized to explain the combination of 2D structured materials with ferroelectrics.

  20. Faraday isolator based on a TSAG single crystal with compensation of thermally induced depolarization inside magnetic field

    Science.gov (United States)

    Snetkov, Ilya; Palashov, Oleg

    2015-04-01

    A Faraday isolator based on a terbium scandium aluminum garnet (TSAG) single crystal with compensation of thermally induced depolarization inside magnetic field was demonstrated. An isolation ratio of 32 dB at 350 W cw laser radiation power was achieved. Thermally induced depolarization and thermal lens were studied and compared with similar thermal effects arising in the widely used terbium gallium garnet crystal (TGG) for the first time.

  1. High-performance single crystal organic field-effect transistors based on two dithiophene-tetrathiafulvalene (DT-TTF) polymorphs.

    Science.gov (United States)

    Pfattner, Raphael; Mas-Torrent, Marta; Bilotti, Ivano; Brillante, Aldo; Milita, Silvia; Liscio, Fabiola; Biscarini, Fabio; Marszalek, Tomasz; Ulanski, Jacek; Nosal, Andrzej; Gazicki-Lipman, Maciej; Leufgen, Michael; Schmidt, Georg; Molenkamp, Laurens W; Laukhin, Vladimir; Veciana, Jaume; Rovira, Concepció

    2010-10-01

    Solution prepared single crystal organic field-effect transistors (OFETs) combine low-cost with high performance due to structural ordering of molecules. However, in organic crystals polymorphism is a known phenomenon, which can have a crucial influence on charge transport. Here, the performance of solution-prepared single crystal OFETs based on two different polymorphs of dithiophene-tetrathiafulvalene, which were investigated by confocal Raman spectroscopy and X-ray diffraction, are reported. OFET devices prepared using different configurations show that both polymorphs exhibited excellent device performance, although the -phase revealed charge carrier mobility between two and ten times higher in accordance to the closer stacking of the molecules.

  2. Compound dual radiation action theory for 252Cf brachytherapy.

    Science.gov (United States)

    Wang, C K; Zhang, X

    2004-01-01

    The existing dosimetry protocol that uses the concept of RBE for 252Cf brachytherapy contains large uncertainties. A new formula has been developed to correlate the biological effect (i.e. cell survival fraction) resulting from a mixed n + gamma radiation field with two physical quantities and two biological quantities. The formula is based on a pathway model evolved from that of the compound-dual-radiation-action (CDRA) theory, previously proposed by Rossi and Zaider. The new model employs the recently published data on radiation-induced DNA lesions. The new formula is capable of predicting quantitatively the synergistic effect caused by the interactions between neutron events and gamma ray events, and it is intended to be included into a new dosimetry protocol for future 252Cf brachytherapy.

  3. Liquid crystal tunable photonic crystal dye laser

    DEFF Research Database (Denmark)

    Buss, Thomas; Christiansen, Mads Brøkner; Smith, Cameron

    2010-01-01

    We present a dye-doped liquid crystal laser using a photonic crystal cavity. An applied electric field to the liquid crystal provides wavelength tunability. The photonic crystal enhances resonant interaction with the gain medium....

  4. Wide-field imaging of birefringent synovial fluid crystals using lens-free polarized microscopy for gout diagnosis

    Science.gov (United States)

    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.

  5. Crystal field splitting of the 4f 5d electronic configuration of Pr 3+ ions in wide band gap fluoride dielectric crystals

    Science.gov (United States)

    Sarantopoulou, E.; Kollia, Z.; Cefalas, A. C.; Semashko, V. V.; Yu. Abdulsabirov, R.; Naumov, A. K.; Korableva, S. L.; Szczurek, T.; Kobe, S.; McGuiness, P. J.

    2002-07-01

    The absorption and the laser-induced fluorescence spectra of Pr 3+ ion in YF 3, LaF 3, KY 3 F 10 and LiLuF 4, single crystal hosts were obtained in the vacuum ultraviolet region of the spectrum. The energy position and the spacing of the levels of the 4f 5d electronic configuration depend on the host matrix. In addition, strong vacuum ultraviolet emission bands were observed, following crystal excitation at 157 nm with the molecular fluorine laser. The emission bands were due to the interconfigurational 4 f 5 d→4 f2 dipole-allowed transitions in Pr 3+ ions, and they were assigned to the transitions between the edge of the lowest Stark component of the 4f 5d electronic configuration and the levels of the 4f 2 electronic configuration. The VUV spectra can be interpreted by applying the crystal field model, and taking into consideration that lanthanide contraction of the 4f n-1 5d electronic configurations of the rare earth ions, and shielding of the positive ion charge from the electrons in the 4f n electronic configuration is taking place. Finally, a new method for monitoring the concentration of the rare earth ions in wide band gap fluoride dielectric crystals in a non-destructive way, by measuring magnetic dipole moments with the vibrating sample magnetometer (VSM) method, is presented for the first time to our knowledge for this type of crystals.

  6. Evidence of two-dimensional quantum Wigner Crystal in a zero magnetic field

    Science.gov (United States)

    Huang, Jian; Pfeiffer, Loren; West, Ken

    2014-03-01

    In disorder-dominated cases, Anderson localization occurs as a result of destructive interference effects caused by (short-ranged) random disorders. On the other hand, in interaction-dominated scenarios, striking manifestations of quantum physics emerge in response to strong inter-particle Coulomb energy (EC). The most prominent interaction-driven effect is the Wigner crystallization (WC) of electrons, an electron solid made up with spatially separated charges settling in a form of a lattice. The classical version of the crystallization, with the Debye temperature ΘD field. We present a transport study of ultra-high quality dilute two-dimensional hole (2DH) systems in a genuine interaction-driven regime. A high resolution dc VI measurement reveals a pA level threshold transport accompanied by resistivity oscillations, indicating the coexistence of a pinned quantum WC with discrete edge filaments of unpinned carriers. NSF DMR 1105183

  7. A statistical analysis of the elastic distortion and dislocation density fields in deformed crystals

    KAUST Repository

    Mohamed, Mamdouh S.

    2015-05-18

    The statistical properties of the elastic distortion fields of dislocations in deforming crystals are investigated using the method of discrete dislocation dynamics to simulate dislocation structures and dislocation density evolution under tensile loading. Probability distribution functions (PDF) and pair correlation functions (PCF) of the simulated internal elastic strains and lattice rotations are generated for tensile strain levels up to 0.85%. The PDFs of simulated lattice rotation are compared with sub-micrometer resolution three-dimensional X-ray microscopy measurements of rotation magnitudes and deformation length scales in 1.0% and 2.3% compression strained Cu single crystals to explore the linkage between experiment and the theoretical analysis. The statistical properties of the deformation simulations are analyzed through determinations of the Nye and Kröner dislocation density tensors. The significance of the magnitudes and the length scales of the elastic strain and the rotation parts of dislocation density tensors are demonstrated, and their relevance to understanding the fundamental aspects of deformation is discussed.

  8. Large field enhancement obtained by combining Fabry-Perot resonance and Rayleigh anomaly in photonic crystal slabs

    CERN Document Server

    Dossou, Kokou B

    2016-01-01

    By applying the properties of Fabry-Perot resonance and Rayleigh anomaly, we have showed that a photonic crystal slab can scatter the light from an incident plane wave into a diffracted light with a very large reflection or transmission coefficient. The enhanced field is either a propagating diffraction order (with a grazing angle of diffraction) or a weakly evanescent order, so it can be particularly useful for applications requiring an enhanced propagating field (or an enhanced field with a low attenuation). An efficient effective medium technique is developed for the design of the resonant photonic crystal slabs. Numerical simulations have shown that photonic crystal slabs with low index contrast, such as the ones found in the cell wall of diatoms, can enhance the intensity of the incident light by four orders of magnitude.

  9. First and second order numerical methods based on a new convex splitting for phase-field crystal equation

    Science.gov (United States)

    Shin, Jaemin; Lee, Hyun Geun; Lee, June-Yub

    2016-12-01

    The phase-field crystal equation derived from the Swift-Hohenberg energy functional is a sixth order nonlinear equation. We propose numerical methods based on a new convex splitting for the phase-field crystal equation. The first order convex splitting method based on the proposed splitting is unconditionally gradient stable, which means that the discrete energy is non-increasing for any time step. The second order scheme is unconditionally weakly energy stable, which means that the discrete energy is bounded by its initial value for any time step. We prove mass conservation, unique solvability, energy stability, and the order of truncation error for the proposed methods. Numerical experiments are presented to show the accuracy and stability of the proposed splitting methods compared to the existing other splitting methods. Numerical tests indicate that the proposed convex splitting is a good choice for numerical methods of the phase-field crystal equation.

  10. Magnetic field response of NaCl:Eu crystal plasticity due to spin-dependent Eu2+ aggregation

    Science.gov (United States)

    Morgunov, R. B.; Buchachenko, A. L.

    2010-07-01

    Magnetic field impulse (7 T amplitude 10 ms duration) was found to affect microhardness of NaCl:Eu crystals at room temperature. Dimers (pairs of Eu2+ paramagnetic ions) were shown to be responsible for the crystal softening induced by magnetic field. Theoretical treatment of the magnetoplastic effect based on the spin dependence of processes resulting in transformation of the dimers in crystals is developed and applied to the description of the long-term magnetic memory. Activation energies of the dimer formation, E1=0.23±0.04eV and decomposition, E2=0.33±0.06eV were extracted from thermoactivation analysis of magnetic field controlled Eu2+ aggregation in 77-473 K temperature range.

  11. Spin-3/2 Ising model AFM/AFM two-layer lattice with crystal field

    Institute of Scientific and Technical Information of China (English)

    Erhan Albayrak; Ali Yigit

    2009-01-01

    The spin-3/2 Ising model is investigated for the case of antiferromagnetic (AFM/AFM) interactions on the two-layer Bethe lattice by using the exact recursion relations in the pairwise approach for given coordination numbers q = 3, 4 and 6 when the layers are under the influences of equal external magnetic and equal crystal fields. The ground state, (GS) phase diagrams are obtained on the different planes in detail and then the temperature-dependent phase diagrams of the system are calculated accordingly. It is observed that the system presents both second- and first-order phase transitions for all q, therefore, tricritical points. It is also found that the system exhibits double-critical end points and isolated points. The model aiso presents two Néel temperatures, T_N, and the existence of which leads to the reentrant behaviour.

  12. Extended depth of field using a liquid crystal annular spatial light modulator.

    Science.gov (United States)

    Klapp, Iftach; Solodar, Asi; Abdulhalim, Ibrahim

    2014-07-01

    A detailed investigation is presented on the tunable extended depth of field (EDOF) method, proposed recently by Klapp et al. [Opt. Lett.39, 1414 (2014)]. This method is based on temporal multiplexing of phase masks, using an annular liquid crystal spatial light modulator possessing a small number of rings. Examples of 3D simulations used to determine the phase profiles in the pupil plane are presented, as well as more detailed experimental results. Both the experimental and numerical results include comprehensive analysis of contrast dependence on both the spatial spectrum of the object and the amount of defocus. In addition, for the first time, we present the EDOF order inversion in the experimental and simulated data. The results show a profound performance of the proposed system and method.

  13. First and second order operator splitting methods for the phase field crystal equation

    Science.gov (United States)

    Lee, Hyun Geun; Shin, Jaemin; Lee, June-Yub

    2015-10-01

    In this paper, we present operator splitting methods for solving the phase field crystal equation which is a model for the microstructural evolution of two-phase systems on atomic length and diffusive time scales. A core idea of the methods is to decompose the original equation into linear and nonlinear subequations, in which the linear subequation has a closed-form solution in the Fourier space. We apply a nonlinear Newton-type iterative method to solve the nonlinear subequation at the implicit time level and thus a considerably large time step can be used. By combining these subequations, we achieve the first- and second-order accuracy in time. We present numerical experiments to show the accuracy and efficiency of the proposed methods.

  14. First and second order operator splitting methods for the phase field crystal equation

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Hyun Geun; Shin, Jaemin [Institute of Mathematical Sciences, Ewha Womans University, Seoul 120-750 (Korea, Republic of); Lee, June-Yub, E-mail: jyllee@ewha.ac.kr [Department of Mathematics, Ewha Womans University, Seoul 120-750 (Korea, Republic of)

    2015-10-15

    In this paper, we present operator splitting methods for solving the phase field crystal equation which is a model for the microstructural evolution of two-phase systems on atomic length and diffusive time scales. A core idea of the methods is to decompose the original equation into linear and nonlinear subequations, in which the linear subequation has a closed-form solution in the Fourier space. We apply a nonlinear Newton-type iterative method to solve the nonlinear subequation at the implicit time level and thus a considerably large time step can be used. By combining these subequations, we achieve the first- and second-order accuracy in time. We present numerical experiments to show the accuracy and efficiency of the proposed methods.

  15. Structure fits the purpose: photonic crystal fibers for evanescent-field surface-enhanced Raman spectroscopy.

    Science.gov (United States)

    Khaing Oo, Maung Kyaw; Han, Yun; Kanka, Jiri; Sukhishvili, Svetlana; Du, Henry

    2010-02-15

    We report numerical simulation and hyperspectral Raman imaging of three index-guiding solid-core photonic crystal fibers (PCFs) of different air-cladding microstructures to assess their respective potential for evanescent-field Raman spectroscopy, with an emphasis on achieving surface-enhanced Raman scattering (SERS) over the entire fiber length. Suspended-core PCF consisting of a silica core surrounded by three large air channels conjoined by a thin silica web is the most robust of the three SERS-active PCFs, with a demonstrated detection sensitivity of 1x10(-10) M R6G in an aqueous solution of only approximately 7.3 microL sampling volume.

  16. Molecular field theory for nematic liquid crystal film with finite layers

    Institute of Scientific and Technical Information of China (English)

    Zhang Zhi-Dong; Li Jing; Wei Huai-Peng

    2005-01-01

    The nematic liquid crystal film composed of n molecular layers is studied based upon a spatially anisotropic pair potential, which reproduces approximately the elastic free energy density. On condition that the system has perfect nematic order, as in the Lebwohl-Lasher model, the director in the film is isotropic. The effect of the temperature is investigated by means of molecular field theory. Some new results are obtained. Firstly, symmetry breaking takes place when taking account of the temperature, and the state with the director along the normal of the film has the lowest free energy. Secondly, the N-I phase transition temperature increases as an effect of finite sizes instead of decreasing as in the Lebwohl-Lasher model. Thirdly, the nematic order is induced in the layers near the surface in the isotropic phase.

  17. Changes in crystal structure and physicochemical properties of potato starch treated by induced electric field.

    Science.gov (United States)

    Li, Dandan; Yang, Na; Jin, Yamei; Zhou, Yuyi; Xie, Zhengjun; Jin, Zhengyu; Xu, Xueming

    2016-11-20

    The effects of induced electric field (IEF) on the crystal structure and physicochemical properties of potato starch were investigated by subjecting identically treated control and electrically-modified samples to the same temperature history. Additionally, a method of combining IEF with heating for efficient modification of native polymer was also proposed. Results showed that the application of IEF at an electric voltage of 75V has a statistically significant effect on starch gelatinization and pasting properties, especially when combined with heating at 50°C. After treatment by the combination method for 96h, the gelatinization temperatures increased, which can be explained by the slight increase in the ratio of 1044/1015cm(-1) and relative crystallinity. Furthermore, IEF reduced granular swelling and therefore contributed to decreasing the peak, breakdown, and setback viscosity of potato starch. This study explores the potential of IEF as innovative technology for starch modification.

  18. Modulation of electrical mobility in Au ion irradiated titanium oxide with crystal field splitting

    Science.gov (United States)

    Park, Hyun-Woo; Jun, Byung-Hyuk; Choi, Dukhyun; Chung, Kwun-Bum

    2016-11-01

    Electrical modulation of radio frequency (RF) sputtered TiO2- x films were investigated as a function of Au swift heavy ion irradiation dose at room temperature. The prepared TiO2- x films were irradiated with 130 MeV Au swift heavy ion in the range from 1 × 1011 to 5 × 1012 ions/cm2. As the Au ion irradiation dose increased up to 1 × 1012 ions/cm2, the electrical mobility of TiO2- x films were dramatically increased 3.07 × 102 cm2 V-1 s-1 without the change of carrier concentration. These changes in electrical properties of Au irradiated TiO2- x film, are related to the modification of electronic structure such as crystal field splitting of Ti 3d orbital hybridization and sub-band edge states below the conduction band as a function of Au swift heavy ion irradiation dose.

  19. Inductive crystal field control in layered metal oxides with correlated electrons

    Energy Technology Data Exchange (ETDEWEB)

    Balachandran, P. V.; Cammarata, A.; Rondinelli, J. M., E-mail: jrondinelli@nortwestern.edu [Department of Materials Science and Engineering, Drexel University, Philadelphia, Pennsylvania 19104 (United States); Nelson-Cheeseman, B. B. [School of Engineering, University of St. Thomas, St. Paul, Minnesota 55105 (United States); Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Bhattacharya, A. [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Center for Nanoscale Materials, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

    2014-07-01

    We show that the NiO{sub 6} crystal field energies can be tailored indirectly via heterovalent A cation ordering in layered (La,A)NiO{sub 4} Ruddlesden–Popper (RP) oxides, where A = Sr, Ca, or Ba, using density functional calculations. We leverage as a driving force the electrostatic interactions between charged [LaO]{sup 1+} and neutral [AO]{sup 0} planes to inductively tune the Ni–O bond distortions, without intentional doping or epitaxial strain, altering the correlated d-orbital energies. We use this strategy to design cation ordered LaCaNiO{sub 4} and LaBaNiO{sub 4} with distortions favoring enhanced Ni e{sub g} orbital polarization, and find local electronic structure signatures analogous to those in RP La-cuprates, i.e., parent phases of the high-temperature superconducting oxides.

  20. Thermal fluctuations and phase diagrams of the phase-field crystal model with pinning.

    Science.gov (United States)

    Ramos, J A P; Granato, E; Achim, C V; Ying, S C; Elder, K R; Ala-Nissila, T

    2008-09-01

    We study the influence of thermal fluctuations in the phase diagram of a recently introduced two-dimensional phase field crystal model with an external pinning potential. The model provides a continuum description of pinned lattice systems allowing for both elastic deformations and topological defects. We introduce a nonconserved version of the model and determine the ground-state phase diagram as a function of lattice mismatch and strength of the pinning potential. Monte Carlo simulations are used to determine the phase diagram as a function of temperature near commensurate phases. The results show a rich phase diagram with commensurate, incommensurate, and liquidlike phases with a topology strongly dependent on the type of ordered structure. A finite-size scaling analysis of the melting transition for the c(2x2) commensurate phase shows that the thermal correlation length exponent nu and specific heat behavior are consistent with the Ising universality class as expected from analytical arguments.

  1. Development and Analysis of a Block-Preconditioner for the Phase-Field Crystal Equation

    CERN Document Server

    Praetorius, Simon

    2015-01-01

    We develop a preconditioner for the linear system arising from a finite element discretization of the Phase Field Crystal (PFC) equation. The PFC model serves as an atomic description of crystalline materials on diffusive time scales and thus offers the opportunity to study long time behaviour of materials with atomic details. This requires adaptive time stepping and efficient time discretization schemes, for which we use an embedded Rosenbrock scheme. To resolve spatial scales of practical relevance, parallel algorithms are also required, which scale to large numbers of processors. The developed preconditioner provides such a tool. It is based on an approximate factorization of the system matrix and can be implemented efficiently. The preconditioner is analyzed in detail and shown to speed up the computation drastically.

  2. Ultrathin single-crystal ZnO nanobelts: Ag-catalyzed growth and field emission property

    Energy Technology Data Exchange (ETDEWEB)

    Xing, G Z; Zhang, Z; Wang, D D; Liao, L; Zheng, Z; Xu, H R; Yu, T; Shen, Z X; Huan, C H A; Sum, T C; Wu, T [Division of Physics and Applied Physics, School of Physical and Mathematical Sciences, Nanyang Technological University, 637371 (Singapore); Fang, X S [Department of Materials Science, Fudan University, Shanghai 200433 (China); Huang, X; Guo, J; Zhang, H, E-mail: xing0012@ntu.edu.sg, E-mail: tomwu@ntu.edu.sg [School of Materials Science and Engineering, Nanyang Technological University, 639798 (Singapore)

    2010-06-25

    We report the growth of ultrathin single-crystal ZnO nanobelts by using a Ag-catalyzed vapor transport method. Extensive transmission electron microscopy and atomic force microscopy measurements reveal that the thickness of the ultrathin ZnO nanobelts is {approx} 2 nm. Scanning electron microscopy and post-growth annealing studies suggest a '1D branching and 2D filling' growth process. Our results demonstrate the critical role of catalyst in the deterministic synthesis of nanomaterials with the desired morphology. In addition, these ultrafine nanobelts exhibit stable field emission with unprecedented high emission current density of 40.17 mA cm{sup -2}. These bottom-up building blocks of ultrathin ZnO nanobelts may facilitate the construction of advanced electronic and photonic nanodevices.

  3. Photonic crystal carpet: Manipulating wave fronts in the near field at 1550 nm

    CERN Document Server

    Scherrer, G; Śmigaj, W; Kadic, M; Chang, T -M; Mélique, X; Lippens, D; Vanbésien, O; Cluzel, B; de Fornel, F; Guenneau, S; Gralak, B

    2013-01-01

    Ground-plane cloaks, which transform a curved mirror into a flat one, and recently reported at wavelengths ranging from the optical to the visible spectrum, bring the realm of optical illusion a step closer to reality. However, all carpet-cloaking experiments have thus far been carried out in the far-?field. Here, we demonstrate numerically and experimentally that a dielectric photonic crystal (PC) of a complex shape made of a honeycomb array of air holes can scatter waves in the near fi?eld like a PC with a at boundary at stop band frequencies. This mirage e?ffect relies upon a speci?fic arrangement of dielectric pillars placed at the nodes of a quasi-conformal grid dressing the PC. Our carpet is shown to work throughout the range of wavelengths 1500nm to 1650nm within the stop band extending from 1280 to 1940 nm. The device has been fabricated using a single- mask advanced nanoelectronics technique on III-V semiconductors and the near ?field measurements have been carried out in order to image the wave fron...

  4. Lateral-field-excitation properties of LiNbO3 single crystal

    Institute of Scientific and Technical Information of China (English)

    Wang Wen-Yan; Zhang Chao; Zhang Zhi-Tian; Liu Yan; Feng Guan-Ping

    2009-01-01

    LiNbO3 has been found attractive for lateral field excitation (LFE) applications due to its high piezoelectric coupling. In this paper, bulk acoustic wave propagation properties for LiNbO3 single crystal excited by a lateral electric field have been investigated using the extended Christoffel-Bechmann method. It is found that the LFE piezoelectriccoupling factor for c mode reaches its maximum value of 95.46% when ψ = 0° for both (yxl)-58° and (yxwl)±60°/58°LiNbO3. The acoustic wave phase velocity of c mode TSM (thickness shear mode) changes from 3456 m/s to 3983 m/s as a function of ψ. Here ψ represents the angle between the lateral electric field and the crystallographic X-axis in the substrate major surface. A 5 MHz LFE device of (yxl)-58° LiNbO3 with ψ=0° was designed and tested in air. A major resonance peak was observed with the motional resistance as low as 17Ω and the Q-factor value up to 10353.The test result is well in agreement with the theoretical analysis, and suggests that the LFE LiNbO3 device can be a good platform for high performance resonator or sensor applications.

  5. The onset of layer undulations in smectic A liquid crystals due to a strong magnetic field

    Science.gov (United States)

    Contreras, A.; Garcia-Azpeitia, C.; García-Cervera, C. J.; Joo, S.

    2016-08-01

    We investigate the effect of a strong magnetic field on a three dimensional smectic A liquid crystal. We identify a critical field above which the uniform layered state loses stability; this is associated to the onset of layer undulations. In a previous work García-Cervera and Joo (2012 Arch. Ration. Mech. Anal. 203 1-43), García-Cervera and Joo considered the two dimensional case and analyzed the transition to the undulated state via a simple bifurcation. In dimension n  =  3 the situation is more delicate because the first eigenvalue of the corresponding linearized problem is not simple. We overcome the difficulties inherent to this higher dimensional setting by identifying the irreducible representations for natural actions on the functional that take into account the invariances of the problem thus allowing for reducing the bifurcation analysis to a subspace with symmetries. We are able to describe at least two bifurcation branches, highlighting the richer landscape of energy critical states in the three dimensional setting. Finally, we analyze a reduced two dimensional problem, assuming the magnetic field is very strong, and are able to relate this to a model in micromagnetics studied in Alouges et al (2002 ESAIM Control Optim. Calc. Var. 8 31-68), from where we deduce the periodicity property of minimizers.

  6. Atmospheric chemistry of (CF3)2CHOCH3, (CF3)2CHOCHO, and CF3C(O)OCH3

    DEFF Research Database (Denmark)

    Østerstrøm, Freja From; Wallington, Timothy J.; Andersen, Mads Peter Sulbæk

    2015-01-01

    Smog chambers with in situ FTIR detection were used to measure rate coefficients in 700 Torr of air and 296 ± 2 K of: k(Cl+(CF3)2CHOCH3) = (5.41 ± 1.63) × 10(-12), k(Cl+(CF3)2CHOCHO) = (9.44 ± 1.81) × 10(-15), k(Cl+CF3C(O)OCH3) = (6.28 ± 0.98) × 10(-14), k(OH+(CF3)2CHOCH3) = (1.86 ± 0.41) × 10......3C(O)OCH3 (16 ± 2)%, CF3C(O)CF3 (4 ± 1)%, and C(O)F2 (45 ± 5)%. The primary oxidation product (CF3)2CHOCHO reacts with Cl atoms to give secondary products (molar yields): CF3C(O)CF3 (67 ± 7)%, CF3C(O)OCHO (28 ± 3)%, and C(O)F2 (118 ± 12)%. CF3C(O)OCH3 reacts with Cl atoms to give: CF3C(O)OCHO (80...... ± 8)% and C(O)F2 (6 ± 1)%. Atmospheric lifetimes of (CF3)2CHOCH3, (CF3)2CHOCHO, and CF3C(O)OCH3 were estimated to be 62 days, 1.5 years, and 220 days, respectively. The 100-year global warming potentials (GWPs) for (CF3)2CHOCH3, (CF3)2CHOCHO, and CF3C(O)OCH3 are estimated to be 6, 121, and 46...

  7. Electronic and vibrational spectra of some rare earth trifluoromethanesulfonates crystals

    Science.gov (United States)

    Paul, P.; Ghosh, M.; Neogy, D.; Mallick, P. K.

    2011-01-01

    The Raman and infrared spectra of some rare earth (dysprosium and terbium) trifluoromethanesulfonates crystals have been analyzed. Different vibrational frequencies of trifluoromethanesulfonate ions (CF 3SO 3-) are identified and assigned to different vibrations of the SO 3 and CF 3 groups. Electronic transitions of R 3+ ions (R = Dy, Tb) in these salts have been assigned to transitions from the ground to different energy levels of the ground multiplet. The electronic energy levels of the rare earth ions are also determined theoretically with the help of single electron crystal field theory. They are found to yield results not only in good agreement with the observed spectral data but also in good conformity with those obtained previously from magnetic measurements.

  8. First-principles calculation of crystal field parameters of Dy ions substituted for Nd in Nd-Fe-B magnets

    Energy Technology Data Exchange (ETDEWEB)

    Tanaka, S; Moriya, H; Tsuchiura, H; Sakuma, A [Department of Applied Physics, Tohoku University, Sendai 980-8579 (Japan); Divis, M [Department of Condensed Matter, Charles University, FMF, Prague (Czech Republic); Novak, P, E-mail: tanaka@olive.apph.tohoku.ac.jp [Institute of Physics of ASCR, Cukrovarnicka 10, 162 53 Prague 6 (Czech Republic)

    2011-01-01

    We study the electronic structures of crystalline Nd{sub 2}Fe{sub 14}B, Dy{sub 2}Fe{sub 14}B and Dy-doped Nd-Fe-B, and estimate the crystal field parameter A{sup 0}{sub 2}(r{sup 2}) of the rare earth ions of these systems based on the first principles calculations. We find that the crystal field of the Dy ions is appreciably insensitive to its crystallographic location than that of Nd ions.

  9. Pulsed eddy current inspection of CF-188 inner wing spar

    Science.gov (United States)

    Horan, Peter Francis

    Royal Canadian Air Force (RCAF) CF-188 Hornet aircraft engineering authorities have stated a requirement for a Non-Destructive Evaluation (NDE) technique to detect Stress Corrosion Cracking (SCC) in the inner wing spars without fastener or composite wing skin removal. Current radiographic inspections involve significant aircraft downtime, and Pulsed Eddy Current (PEC) inspection is proposed as a solution. The aluminum inner wing spars of CF-188 Hornet aircraft may undergo stress corrosion cracking (SCC) along the spar between the fasteners that secure carbon-fiber/ epoxy composite skin to the wing. Inspection of the spar through the wing skin is required to avoid wing disassembly. The thickness of the wing skin varies between 8 and 20 mm (0.3 to 0.8 inch) and fasteners may be either titanium or ferrous. PEC generated by a probe centered over a fastener, demonstrates capability of detecting simulated cracks within spars with the wing skin present. Comparison of signals from separate sensors, mounted to either side of the excitation coil, is used to detect differences in induced eddy current fields, which arise in the presence of cracks. To overcome variability in PEC signal response due to variation in 1) skin thickness, 2) fastener material and size, and 3) centering over fasteners, a large calibration data set is acquired. Multi-dimensional scores from a Modified Principal Components Analysis (PCA) of the data are reduced to one dimension (1D) using a Discriminant Analysis method. Under inspection conditions, calibrated PCA scores combined with discriminant analysis permit rapid real time go/no-go PEC detection of cracks in CF-188 inner wing spar. Probe designs using both pickup coils and Giant Magnetoresistive (GMR) sensors were tested on samples with the same ferrous and titanium fasteners found on the CF-188. Flaws were correctly detected at lift-offs of up to 21mm utilizing a variety of insulating skin materials simulating the carbon-fibre reinforced polymer

  10. Personal experiences of cystic fibrosis (CF) carrier couples prospectively identified in CF families

    NARCIS (Netherlands)

    Henneman, L; Kooij, L; Bouman, K; ten Kate, LP

    2002-01-01

    This qualitative study explores the experiences of cystic fibrosis (CF) carrier couples, prospectively identified in CF families, and the impact of the resulting genetic risk on reproductive behavior. Of the 12 couples identified until 1997, seven couples participated in semistructured interviews an

  11. The Cf-4 and Cf-9 resistance genes against Cladosporium fulvum are conserved in wild tomato species

    NARCIS (Netherlands)

    Kruijt, M.; Kip, D.J.; Joosten, M.H.A.J.; Brandwagt, B.F.; Wit, de P.J.G.M.

    2005-01-01

    The Cf-4 and Cf-9 genes originate from the wild tomato species Lycopersicon hirsutum and L. pimpinellifolium and confer resistance to strains of the leaf mold fungus Cladosporium fulvum that secrete the Avr4 and Avr9 elicitor proteins, respectively. Homologs of Cf-4 and Cf-9 (Hcr9s) are located in s

  12. The stability of travelling waves induced by crossed electric and magnetic fields in nematic liquid crystals

    Science.gov (United States)

    Stewart, I. W.; Faulkner, T. R.

    A theoretical study is carried out into the stability of travelling wave solutions to an approximate dynamic equation for the problem in which a nematic liquid crystal is subjected to crossed electric and magnetic fields. The authors recently found three types of travelling wave solutions for this problem [2], each characterised by the control parameter q which describes the relationship between the magnitudes of the fields and their crossed angle. Two types of stability are ex amined: the first considers perturbations which vanish outside some finite interval in the moving coordinate of the travelling wave, while the second considers quite general perturbations belonging to a weighted L2( R) space, the weighting function being determined by the particular solution and the control parameter q. When the first type of stability occurs, perturbations decay to zero as time increases. In the second type of stability perturbations may eith er decay to zero or induce a small phase shift to the original travelling wave. Both these versions of stability depend crucially on q and on the type of travelling wave solution being considered.

  13. Quantum spin-1 anisotropic ferromagnetic Heisenberg model in a crystal field: a variational approach.

    Science.gov (United States)

    Carvalho, D C; Plascak, J A; Castro, L M

    2013-09-01

    A variational approach based on Bogoliubov inequality for the free energy is employed in order to treat the quantum spin-1 anisotropic ferromagnetic Heisenberg model in the presence of a crystal field. Within the Bogoliubov scheme an improved pair approximation has been used. The temperature-dependent thermodynamic functions have been obtained and provide much better results than the previous simple mean-field scheme. In one dimension, which is still nonintegrable for quantum spin-1, we get the exact results in the classical limit, or near-exact results in the quantum case, for the free energy, magnetization, and quadrupole moment, as well for the transition temperature. In two and three dimensions the corresponding global phase diagrams have been obtained as a function of the parameters of the Hamiltonian. First-order transition lines, second-order transition lines, tricritical and tetracritical points, and critical endpoints have been located through the analysis of the minimum of the Helmholtz free energy and a Landau-like expansion in the approximated free energy. Only first-order quantum transitions have been found at zero temperature. Limiting cases, such as isotropic Heisenberg, Blume-Capel, and Ising models, have been analyzed and compared to previous results obtained from other analytical approaches as well as from Monte Carlo simulations.

  14. Ferromagnetism and crystal electric field in the cerium compound CeRh3B2

    Science.gov (United States)

    Givord, F.; Boucherle, J.-X.; Galéra, R.-M.; Fillion, G.; Lejay, P.

    2007-09-01

    The magnetic behavior of CeRh3B2 is very unusual: it orders ferromagnetically with an exceptionally high Curie temperature TC around 115 K, but with a small saturation moment of about 0.4 μB/fu. The thermal variations of magnetization and susceptibility have been measured on a single crystal for fields applied along the easy and hard magnetization directions, with, in the latter case, special care taken to avoid rotation of the sample. The results are compared to calculations based on the crystalline electric field formalism. Due to its large value, one has to take into account the admixture of the two J multiplets of the Ce3+ ion as it is usually used for samarium compounds but not for cerium ones. These calculations actually show the important role of the excited J' = 7/2 multiplet on the 4f spin moment, leading to an enhancement of the exchange, i.e. the Curie temperature, and to a decrease of the moment. An extra polarization, as previously found from the study of magnetization density maps, is confirmed and discussed.

  15. Tight Binding Calculation of Electric Field Gradients in Arsenic Chalcogenide Crystals and Glasses

    Science.gov (United States)

    Nelson, Chris B.; Taylor, P. Craig; Harrison, Walter A.

    2000-03-01

    We apply a tight binding approach to calculate the electric field gradient at As atoms due to three nearest neighbor chalcogen atoms in the two inequivalent As sites of crystalline As_2S_3, As_2Se_3, orthorhombic As (Or-As), and rhombohedral As (Rh-As). We first orthogonalize the 4s and 4p valence states on an As atom with respect to sp hybride states constructed on the three nearest neighbor chalcogen atoms. The orthogonalized As valence states are then othogonalized with respect to the As 2p and 3p core states using the Gramm-Schmidt procedure. The resulting state is used aa a first approximation to calculate the electric field gradient at the As nuclear site. Using Harrison's tight binding parameters,[1] which were constructed for tetrahedrally-coordinated semiconductors, we obtain excellent agreement with experiment for Rh-As and are within a factor of 2 ~ 4 for the Or-As, As_2S_3, As_2Se_3, crystal structures. Because the calculation depends only on the number of nearest neighbors it may be extendable to disordered systems, such as a glass. 1. S.Froyen and W.A. Harrison, Phys. Rev. B, 20, 2420 (1979).

  16. Defected-core photonic crystal fiber magnetic field sensor based on Sagnac interferometer

    Science.gov (United States)

    Liu, Qiang; Li, Shuguang; Dou, Chao; Wang, Xinyu

    2017-03-01

    A high-sensitivity magnetic field sensor based on photonic crystal fiber (PCF) Sagnac interferometer is proposed by finite element method (FEM). The elliptical-hole PCF is injected with water-based magnetic fluid. The fiber core is introduced in an elliptical hole to act as a defected core. The sensitivities are 13.25 and -14.32 nm/Oe at the wavelength of 1750 and 1780 nm, respectively, as the magnetic field H is 100 Oe. The simulation result shows that the sensitivity is extremely high near the wavelength of 1765 nm, because the group birefringence Bg is about zero at that wavelength. The above theory is examined in a different configuration by the transmission mode. The average sensitivities are 0.265, 1.63 and -1.915 nm/Oe, respectively, for the dip wavelength A, B and C as the fiber length is 5 cm. The detecting window is 60Oe. We also demonstrate that the sensitivity can be greatly enhanced by 1-2 orders of magnitude by introducing a defected core.

  17. Comprehensive rotational spectroscopy of the newly identified atmospheric ozone depleter CF3CH2Cl

    Science.gov (United States)

    Uriarte, Iciar; Kisiel, Zbigniew; Białkowska-Jaworska, Ewa; Pszczółkowski, Lech; Ecija, Patricia; Basterretxea, Francisco J.; Cocinero, Emilio J.

    2017-07-01

    The pure rotational spectrum of CF3CH2Cl (1-choro-2,2,2-trifluoroethane, HCFC-133a) was investigated at 8-18 GHz in supersonic expansion with chirped pulse and cavity rotational spectroscopy, and at 94-309 GHz with broadband millimetre wave spectroscopy. Spectroscopic constants for the two principal isotopic species have been considerably updated from global fits over extensive data sets, numbering close to 3000 lines for the ground state of CF3CH235 Cl and 1800 lines for CF3CH237 Cl. Four different 13 C containing isotopologues have been assigned, as well as several new low lying vibrational states. The new measurements have been augmented with anharmonic force field calculations in an evaluation of the semi-experimental equilibrium geometry for CF3CH2Cl.

  18. The effect of uniaxial crystal-field anisotropy on magnetic properties of the superexchange antiferromagnetic Ising model

    Directory of Open Access Journals (Sweden)

    L.Canová

    2006-01-01

    Full Text Available The generalized Fisher super-exchange antiferromagnetic model with uniaxial crystal-field anisotropy is exactly investigated using an extended mapping technique. An exact relation between partition function of the studied system and that of the standard zero-field spin-1/2 Ising model on the corresponding lattice is obtained applying the decoration-iteration transformation. Consequently, exact results for all physical quantities are derived for arbitrary spin values S of decorating atoms. Particular attention is paid to the investigation of the effect of crystal-field anisotropy and external longitudinal magnetic field on magnetic properties of the system under investigation. The most interesting numerical results for ground-state and finite-temperature phase diagrams, thermal dependences of the sublattice magnetization and other thermodynamic quantities are discussed.

  19. Effect of non-uniform magnetic field on crystal growth by floating-Zone method in microgravity

    Institute of Scientific and Technical Information of China (English)

    李凯; 胡文瑞

    2001-01-01

    The magnetic damping effect of the non-uniform magnetic field on the floating-zone crystal growth process in microgravity is studied by numerical simulation. The results show that the non-uni-form magnetic field with designed configuration can effectively reduce the flow near the free surface and then in the melt zone. At the same time, the designed magnetic field can improve the impurity concen-tration non-uniformity along the solidification interface. The primary principles of the magnetic field con-figuration design are also discussed.

  20. Monte Carlo Simulation of Electron Swarms Parameters in c-C4F8/CF4 Gas Mixtures

    Institute of Scientific and Technical Information of China (English)

    LIU Xue-li; XIAO Deng-ming; WANG Yan-an; ZHANG Zhou-sheng

    2008-01-01

    The swarm parametes for c-C4F8/CF4 mixtures, including the density-normalized effective ionization coefficient, drift velocity and mean energy were calculated using Monte-Carlo method with the null collision technique. The overall density-reduced electric field strength could be varied between 150 and 500 Td,while the c-C4F8 content in gas mixtures is varied in the range of 0-100%. The value of the density-normalize deffective ionization coefficient shows a strong dependence on the c-C4F8 content, becoming more electronegative as the content of c-C4F8 is increased. The drift velocity of c-C4F4/CF4 mixtures is more affected by CF4. The calculated limiting field strength for c-C4F8/CF4 mixtures is higher than that of SF6/CF4.

  1. Diffusion-controlled anisotropic growth of stable and metastable crystal polymorphs in the phase-field crystal model.

    Science.gov (United States)

    Tegze, G; Gránásy, L; Tóth, G I; Podmaniczky, F; Jaatinen, A; Ala-Nissila, T; Pusztai, T

    2009-07-17

    We use a simple density functional approach on a diffusional time scale, to address freezing to the body-centered cubic (bcc), hexagonal close-packed (hcp), and face-centered cubic (fcc) structures. We observe faceted equilibrium shapes and diffusion-controlled layerwise crystal growth consistent with two-dimensional nucleation. The predicted growth anisotropies are discussed in relation with results from experiment and atomistic simulations. We also demonstrate that varying the lattice constant of a simple cubic substrate, one can tune the epitaxially growing body-centered tetragonal structure between bcc and fcc, and observe a Mullins-Sekerka-Asaro-Tiller-Grinfeld-type instability.

  2. Sol-gel ZnO films crystallized under an electric field and the ZnO/Si heterojunction characteristic

    Energy Technology Data Exchange (ETDEWEB)

    Abe, Kazunori; Komiyama, Takao; Chonan, Yasunori; Yamaguchi, Hiroyuki; Aoyama, Takashi [Electronics and Information Systems, Akita Prefectural University, 84-4 Ebinokuchi Tsuchiya, Yuri-honjo 015-0055 (Japan)

    2012-06-15

    Sol-gel ZnO films were spin-coated on either quartz substrates or silicon (100) wafers, and they were crystallized under an electric field between 0 and 2.0 kV/cm at 800 C in air for 10 min. Finally, hydrogen annealing was done at 400 C for 1 h. X-ray diffraction (XRD) measurements indicated that the films crystallized under electric fields of more than 1.0 kV/cm had increased ZnO (002) peak intensity. Photoluminescence (PL) measurements showed that the near band edge (NBE) emission was increased and the deep level emission (DLE) was decreased for the films crystallized under the 1.7 kV/cm electric field. All the I-V curves for the n-ZnO/p-Si heterojunctions showed typical rectifying behaviours. By applying an electric field (1.7 kV/cm) during the crystallization of the film, the forward current was apparently increased while the reverse current was decreased (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  3. Crystal fields of porphyrins and phthalocyanines from polarization-dependent 2p-to-3d multiplets

    DEFF Research Database (Denmark)

    Johnson, Phillip S.; García Lastra, Juan Maria; Kennedy, Colton K.;

    2014-01-01

    Polarization-dependent X-ray absorption spectroscopy is combined with density functional calculations and atomic multiplet calculations to determine the crystal field parameters 10Dq, Ds, and Dt of transition metal phthalocyanines and octaethylporphyrins (Mn, Fe, Co, Ni). The polarization...

  4. Atmospheric Chemistry of (CF3)2CF-C≡N

    DEFF Research Database (Denmark)

    Andersen, Mads Peter Sulbæk; Kyte, Mildrid; Thirstrup Andersen, Simone

    2017-01-01

    is approximately 22 years. The integrated cross section (650–1500 cm–1) for (CF3)2CFCN is (2.22 ± 0.11) × 10–16 cm2 molecule–1 cm–1 which results in a radiative efficiency of 0.217 W m–2 ppb–1. The 100-year Global Warming Potential (GWP) for (CF3)2CFCN was calculated as 1490, a factor of 15 less than that of SF6.......FTIR/smog chamber experiments and ab initio quantum calculations were performed to investigate the atmospheric chemistry of (CF3)2CFCN, a proposed replacement compound for the industrially important sulfur hexafluoride, SF6. The present study determined k(Cl + (CF3)2CFCN) = (2.33 ± 0.87) × 10–17, k......(OH + (CF3)2CFCN) = (1.45 ± 0.25) × 10–15, and k(O3 + (CF3)2CFCN) ≤ 6 × 10–24 cm3 molecule–1 s–1, respectively, in 700 Torr of N2 or air diluent at 296 ± 2 K. The main atmospheric sink for (CF3)2CFCN was determined to be reaction with OH radicals. Quantum chemistry calculations, supported by experimental...

  5. Effect of Bending on the Electrical Characteristics of Flexible Organic Single Crystal-based Field-effect Transistors.

    Science.gov (United States)

    Ho, Man-Tzu; Tao, Yu-Tai

    2016-11-07

    The charge transport in an organic semiconductor depends highly on the molecular packing in the crystal, which influences the electronic coupling immensely. However, in soft electronics, in which organic semiconductors play a critical role, the devices will be bent or folded repeatedly. The effect of bending on the crystal packing and thus the charge transport is crucial to the performance of the device. In this manuscript, we describe the protocol to bend a single crystal of 5,7,12,16-tetrachloro-6,13-diazapentacene (TCDAP) in the field-effect transistor configuration and to obtain reproducible I-V characteristics upon bending the crystal. The results show that bending a field-effect transistor prepared on a flexible substrate results in nearly reversible yet opposite trends in charge mobility, depending on the bending direction. The mobility increases when the device is bent toward the top gate/dielectric layer (upward, compressive state) and decreases when bent toward the crystal/substrate side (downward, tensile state). The effect of bending curvature was also observed, with greater mobility change resulting from higher bending curvature. It is suggested that the intermolecular π-π distance changes upon bending, thereby influencing the electronic coupling and the subsequent carrier transport ability.

  6. Duodenal Intracellular Bicarbonate and the 'CF Paradox'

    Directory of Open Access Journals (Sweden)

    Kaunitz JD

    2001-07-01

    Full Text Available HCO(3(- secretion, which is believed to neutralize acid within the mucus gel, is the most studied duodenal defense mechanism. In general, HCO(3(- secretion rate and mucosal injury susceptibility correlate closely. Recent studies suggest that luminal acid can lower intracellular pH (pH(i of duodenal epithelial cells and that HCO(3(- secretion is unchanged during acid stress. Furthermore, peptic ulcers are rare in cystic fibrosis (CF, although, with impaired HCO(3(- secretion, increased ulcer prevalence is predicted, giving rise to the 'CF Paradox'. We thus tested the hypothesis that duodenal epithelial cell protection occurs as the result of pH(i regulation rather than by neutralization of acid by HCO(3(- in the pre-epithelial mucus. Cellular acidification during luminal acid perfusion, and unchanged HCO(3(- secretion during acid stress are inconsistent with pre-epithelial acid neutralization by secreted HCO(3(-. Furthermore, inhibition of HCO(3(- secretion by 5-nitro-2-(3-phenylpropylamino benzoic acid (NPPB despite preservation of pH(i and protection from acid-induced injury further question the pre-epithelial acid neutralization hypothesis. This decoupling of HCO(3(- secretion and injury susceptibility by NPPB (and possibly by CF further suggest that cellular buffering, rather than HCO(3(- exit into the mucus, is of primary importance for duodenal mucosal protection, and may account for the lack of peptic ulceration in CF patients.

  7. Electric-field-induced transport of microspheres in the isotropic and chiral nematic phase of liquid crystals

    Science.gov (United States)

    Oh, Jiyoung; Gleeson, Helen F.; Dierking, Ingo

    2017-02-01

    The application of an electric field to microspheres suspended in a liquid crystal causes particle translation in a plane perpendicular to the applied field direction. Depending on applied electric field amplitude and frequency, a wealth of different motion modes may be observed above a threshold, which can lead to linear, circular, or random particle trajectories. We present the stability diagram for these different translational modes of particles suspended in the isotropic and the chiral nematic phase of a liquid crystal and investigate the angular velocity, circular diameter, and linear velocity as a function of electric field amplitude and frequency. In the isotropic phase a narrow field amplitude-frequency regime is observed to exhibit circular particle motion whose angular velocity increases with applied electric field amplitude but is independent of applied frequency. The diameter of the circular trajectory decreases with field amplitude as well as frequency. In the cholesteric phase linear as well as circular particle motion is observed. The former exhibits an increasing velocity with field amplitude, while decreasing with frequency. For the latter, the angular velocity exhibits an increase with field amplitude and frequency. The rotational sense of the particles on a circular trajectory in the chiral nematic phase is independent of the helicity of the liquid crystalline structure, as is demonstrated by employing a cholesteric twist inversion compound.

  8. Crystal Field Excitations in Heavy Fermion Antiferromagnet CeRhIn5 and Heavy Fermion Superconductor CeIrIn_5

    Science.gov (United States)

    Christianson, A. D.; Bao, W.; Pagliuso, P. G.; Sarrao, J. L.; Lacerda, A. H.; Lawrence, J. M.; Kern, S.; Goremychkin, E. A.

    2002-03-01

    Bulk measurements by Takeuchi et al.^1 and Pagliuso et al.^2 indicate that crystal field effects may be important in understanding the exotic heavy fermion ground states exhibited by CeRhIn5 and CeIrIn_5. In an effort to understand the role of the crystal fields in these materials we have begun to study the crystal field excitations with inelastic neutron scattering. Inelastic neutron scattering probes the crystal field excitations directly. Our results indicate that a broad crystal field excitation is observed at 7 meV in CeRhIn_5. In CeIrIn_5, preliminary data suggest that the energy scale of the crystal field excitations is somewhat lower than in CeRhIn_5. We will discuss the temperature dependence of the crystal field excitations and possible crystal field level schemes as deduced from our data and compare our results with those obtained by bulk measurements. ^1T. Takeuchi et al., J. Phys. Soc. Japan 70, 877 (2001). ^2P.G. Pagliuso et al., private communication.

  9. Zero-field NMR of nematic liquid crystals with positive and negative magnetic susceptibility anisotropies. [Propyl-, pentyl-, and heptylbicyclo-hexylcarbonitriles, p-ethoxybenzylidene-p-butylaniline (EBBA)

    Energy Technology Data Exchange (ETDEWEB)

    Thayer, A.M.; Luzar, M.; Pines, A.

    1987-04-09

    Nematic liquid crystal systems with positive and negative magnetic susceptibility anisotropies are studied by NMR in high and zero magnetic fields. The behavior of the system in zero field is dictated by the form of the zero-field Hamiltonian, the symmetry of the liquid crystal phase, and the initial state of the magnetization. Zero-field evolution is initiated both with and without the use of dc pulsed fields in the field cycle. Pulsed dc fields are also used to remove the effects of residual field inhomogeneities by zero-field spin echoes. The order parameters measured in an applied field and in the absence of a field are found to be the same within experimental error for both types of liquid crystal.

  10. Terahertz field enhancement via coherent superposition of the pulse sequences after a single optical-rectification crystal

    Science.gov (United States)

    Sajadi, Mohsen; Wolf, Martin; Kampfrath, Tobias

    2014-03-01

    Terahertz electromagnetic pulses are frequently generated by optical rectification of femtosecond laser pulses. In many cases, the efficiency of this process is known to saturate with increasing intensity of the generation beam because of two-photon absorption. Here, we demonstrate two routes to reduce this effect in ZnTe(110) crystals and enhance efficiency, namely, by (i) recycling the generation pulses and by (ii) splitting each generation pulse into two pulses before pumping the crystal. In both methods, the second pulse arrives ˜1 ns after the first one, sufficiently long for optically generated carriers to relax. Enhancement is achieved by coherently superimposing the two resulting terahertz fields.

  11. Terahertz field enhancement via coherent superposition of the pulse sequences after a single optical-rectification crystal

    Energy Technology Data Exchange (ETDEWEB)

    Sajadi, Mohsen, E-mail: sajadi@fhi-berlin.mpg.de; Wolf, Martin; Kampfrath, Tobias [Fritz Haber Institute of the Max Planck Society, Faradayweg 4-6, 14195 Berlin (Germany)

    2014-03-03

    Terahertz electromagnetic pulses are frequently generated by optical rectification of femtosecond laser pulses. In many cases, the efficiency of this process is known to saturate with increasing intensity of the generation beam because of two-photon absorption. Here, we demonstrate two routes to reduce this effect in ZnTe(110) crystals and enhance efficiency, namely, by (i) recycling the generation pulses and by (ii) splitting each generation pulse into two pulses before pumping the crystal. In both methods, the second pulse arrives ∼1 ns after the first one, sufficiently long for optically generated carriers to relax. Enhancement is achieved by coherently superimposing the two resulting terahertz fields.

  12. Interband coherence response to electric fields in crystals: Berry-phase contributions and disorder effects

    Science.gov (United States)

    Culcer, Dimitrie; Sekine, Akihiko; MacDonald, Allan H.

    2017-07-01

    by scattering that is sensitive to the presence of the Fermi surface. To demonstrate the rich physics captured by our theory, we explicitly solve for some electric-field response properties of simple model systems that are known to be dominated by interband coherence contributions. At the same time we discuss an extensive list of complicated problems that cannot be solved analytically. Our goal is to stimulate progress in computational transport theory for electrons in crystals.

  13. Crystal electric field effects and thermal expansion of rare-earth hexaborides

    Science.gov (United States)

    Novikov, V. V.; Pilipenko, E. S.; Bud'ko, S. L.

    2017-02-01

    Anomalies in the magnetic contribution to the thermal expansion coefficients ∆β(T)of the CeB6, PrB6, and NdB6 hexaborides in the range of 5-300 K were found by comparison with diamagnetic LaB6. The characteristic of the anomalies was the same in all the studied borides: a distinct peak at low temperatures, followed by a broad maximum at higher temperatures (50-100 K), then a decrease and transition to the region of negative values as the temperature increases further. The features of ∆β(T) are explained by the effects of the magnetic order (sharp low temperature peaks) and the crystal electric field (CEF). The βCEF(T) dependencies were calculated using Raman and neutron scattering data on the splitting of the rare-earth (RE) ions R3+ f-level by the CEF. A satisfactory consistency between the values of βCEF(T) and ∆β(T)was obtained for the studied hexaborides. Additionally, we determined the values of the Grüneisen parameter γi that correspond to the transition between the ground and excited multiplets of R3+ ions f-level splitting.

  14. Touch sensors based on planar liquid crystal-gated-organic field-effect transistors

    Science.gov (United States)

    Seo, Jooyeok; Lee, Chulyeon; Han, Hyemi; Lee, Sooyong; Nam, Sungho; Kim, Hwajeong; Lee, Joon-Hyung; Park, Soo-Young; Kang, Inn-Kyu; Kim, Youngkyoo

    2014-09-01

    We report a tactile touch sensor based on a planar liquid crystal-gated-organic field-effect transistor (LC-g-OFET) structure. The LC-g-OFET touch sensors were fabricated by forming the 10 μm thick LC layer (4-cyano-4'-pentylbiphenyl - 5CB) on top of the 50 nm thick channel layer (poly(3-hexylthiophene) - P3HT) that is coated on the in-plane aligned drain/source/gate electrodes (indium-tin oxide - ITO). As an external physical stimulation to examine the tactile touch performance, a weak nitrogen flow (83.3 μl/s) was employed to stimulate the LC layer of the touch device. The LC-g-OFET device exhibited p-type transistor characteristics with a hole mobility of 1.5 cm2/Vs, but no sensing current by the nitrogen flow touch was measured at sufficiently high drain (VD) and gate (VG) voltages. However, a clear sensing current signal was detected at lower voltages, which was quite sensitive to the combination of VD and VG. The best voltage combination was VD = -0.2 V and VG = -1 V for the highest ratio of signal currents to base currents (i.e., signal-to-noise ratio). The change in the LC alignment upon the nitrogen flow touch was assigned as the mechanism for the present LC-g-OFET touch sensors.

  15. Phase field crystal modelling of the order-to-disordered atomistic structure transition of metallic glasses

    Science.gov (United States)

    Zhang, W.; Mi, J.

    2016-03-01

    Bulk metallic glass composites are a new class of metallic alloy systems that have very high tensile strength, ductility and fracture toughness. This unique combination of mechanical properties is largely determined by the presence of crystalline phases uniformly distributed within the glassy matrix. However, there have been very limited reports on how the crystalline phases are nucleated in the super-cooled liquid and their growth dynamics, especially lack of information on the order-to-disordered atomistic structure transition across the crystalline-amorphous interface. In this paper, we use phase field crystal (PFC) method to study the nucleation and growth of the crystalline phases and the glass formation of the super cooled liquid of a binary alloy. The study is focused on understanding the order-to-disordered transition of atomistic configuration across the interface between the crystalline phases and amorphous matrix of different chemical compositions at different thermal conditions. The capability of using PFC to simulate the order-to-disorder atomistic transition in the bulk material or across the interface is discussed in details.

  16. Giant reversible rotating cryomagnetocaloric effect in KEr (MoO4)2 induced by a crystal-field anisotropy

    Science.gov (United States)

    Tkáč, V.; Orendáčová, A.; Čižmár, E.; Orendáč, M.; Feher, A.; Anders, A. G.

    2015-07-01

    Magnetocaloric properties of KEr(MoO4)2 single crystals were investigated using magnetization and specific heat measurements in the magnetic field applied along the easy and hard axis. Large conventional magnetocaloric effect was found around 10 K (-Δ Smax =14 J/kg K for 5 T) in the field applied along the easy axis. What is more, a huge magnetic anisotropy in the a b plane leads to a large anisotropy of magnetocaloric effect, -Δ SR ,max =10 and 13 J/kg K obtained by a simple rotating of the single crystal within the a b plane in the constant magnetic field 2 and 5 T, respectively. Large Δ SR values with no hysteresis losses and rather wide working temperature spans imply that KEr(MoO4)2 may serve as a promising candidate for the implementation of a compact rotary magnetic cryorefrigerator.

  17. Crystallization of spin superlattices with pressure and field in the layered magnet SrCu2(BO3)2

    Science.gov (United States)

    Haravifard, S.; Graf, D.; Feiguin, A. E.; Batista, C. D.; Lang, J. C.; Silevitch, D. M.; Srajer, G.; Gaulin, B. D.; Dabkowska, H. A.; Rosenbaum, T. F.

    2016-01-01

    An exact mapping between quantum spins and boson gases provides fresh approaches to the creation of quantum condensates and crystals. Here we report on magnetization measurements on the dimerized quantum magnet SrCu2(BO3)2 at cryogenic temperatures and through a quantum-phase transition that demonstrate the emergence of fractionally filled bosonic crystals in mesoscopic patterns, specified by a sequence of magnetization plateaus. We apply tens of Teslas of magnetic field to tune the density of bosons and gigapascals of hydrostatic pressure to regulate the underlying interactions. Simulations help parse the balance between energy and geometry in the emergent spin superlattices. The magnetic crystallites are the end result of a progression from a direct product of singlet states in each short dimer at zero field to preferred filling fractions of spin-triplet bosons in each dimer at large magnetic field, enriching the known possibilities for collective states in both quantum spin and atomic systems. PMID:27320787

  18. Chiral Symmetry Breaking During Growing Process of NaClO3 Crystal under Direct-Current Electric Field

    Institute of Scientific and Technical Information of China (English)

    CHEN Wan-Chun; CHEN Xiao-Long

    2007-01-01

    @@ We investigate the influence of dc electric field on chiral symmetry breaking during the growing process of NaClO3 crystal. Nucleation and growth of NaClO3 are completed from an aqueous solution by a fast cooling temperature technology. A pair of polarization microscopes are used to identify a distribution of chiral crystals. Experimental results indicate that the dc electric field has an effect on distribution of chirality, but the direction of the dc electric field is not sensitive to the chiral autocatalysis and selectivity, i.e. the nature convection driving by the gravity does not play an important role on a thin layer of NaClO3 solution. The experimental phenomena may be elucidated by the ECSN mechanism.

  19. Fast fringe-field switching of a liquid crystal cell by two-dimensional confinement with virtual walls

    Science.gov (United States)

    Choi, Tae-Hoon; Oh, Seung-Won; Park, Young-Jin; Choi, Yeongyu; Yoon, Tae-Hoon

    2016-06-01

    We report a simple method for reducing the response time of a fringe-field switching liquid crystal cell by using two-dimensional confinement of the liquid crystals. Through both numerical calculations and experiments, we show that the switching speed can be increased by several fold in a fringe-field switching cell by simply using a rubbing angle of zero, which causes virtual walls to be built when an electric field is applied between the interdigitated electrodes and the common electrode, without requiring additional fabrication steps or complicated drive schemes. Furthermore, the devices fabricated with this method exhibit a reduced color shift and excellent dynamic stability, even with a high applied voltage and under external pressure.

  20. C-axis Resistivity of Superconductive FeSe Single Crystals: Upper Critical Field and its Angular Behavior

    Science.gov (United States)

    Sadakov, A. V.; Romanova, T. A.; Knyazev, D. A.; Chareev, D. A.; Martovitsky, V. P.

    We report out-of-plane magnetotransport ρc(B, T) measurements for a high quality superconducting FeSe single crystals in magnetic fields up to 9 Tesla. Samples, grown from the flux under a permanent gradient of temperature with [001] crystallographic orientation were put in magnetic field parallel to ab-plane. The samples were rotated around c-axis, and its superconducting transitions R(H) were measured for each fixed angle in several temperatures. We show that Hc2 is anisotropic in these relatively small fields, with Hc2||a/Hc2||b being ∼1.2 for T=8.3K.

  1. Far-Field Patterns from Dye-Doped Planar-Aligned Nematic Liquid Crystals Under nanosecond Laser Irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Lukishova, S.G.; Lepeshkin, N.; Boyd, R.W.; Marshall, K.L.

    2006-08-18

    High-definition patterns were observed under 10-Hz-pulse-repetition-rate, nanosecond laser irradiation of azodye-doped planar-nematic liquid crystal layers at incident intensities I ~ 5-10 MW/cm^2 in a single beam configuration and without any feedback involved. An incident polarization parallel to the nematic director was used. Under periodic pulsed laser irradiation, far-field beam patterns at the output of a dye-doped liquid crystal layer changed kaleidoscopically from rings and stripes to multiple hexagons. This pattern-formation regime had a buildup time of several seconds to minutes. We explain the observed effect by diffraction of the laser beam on light-induced micrometer-size inhomogeneities inside the liquid crystal layer with absorption and refraction properties different from the surrounding area. Possible mechanisms of the formation of the inhomogeneities are discussed.

  2. Crystallization field and rate study for the formation of single phase sodium-potassium and potassium clinoptilolite

    Energy Technology Data Exchange (ETDEWEB)

    Guevenir, Oe.; Kalipcilar, H.; Culfaz, A. [Middle East Technical University, Department of Chemical Engineering, 06531 Ankara (Turkey)

    2011-04-15

    Reproducible synthesis of clinoptilolite as the single crystalline phase was achieved in the narrow crystallization field at or around the nominal batch composition of 2.1(Na{sub 2}O+K{sub 2}O):Al{sub 2}O{sub 3}:10SiO{sub 2}:110H{sub 2}O at 140 C. Clinoptilolites of high purity were crystallized in the pure sodium or mixed sodium-potassium cation systems. Partial replacement of hydroxyl anions with the salts of carbonates or chlorides also yielded clinoptilolite as the single crystalline phase although at lower crystallization rates. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  3. Measurement of Coherent Emission and Linear Polarization of Photons by Electrons in the Strong Fields of Aligned Crystals

    CERN Document Server

    Apyan, A; Badelek, B; Ballestrero, S; Biino, C; Birol, I; Cenci, P; Connell, S H; Eichblatt, S; Fonseca, T; Freund, A; Gorini, B; Groess, R; Ispirian, K; Ketel, T; Kononets, Yu V; López, A; Mangiarotti, A; Van Rens, B; Sellschop, J P Friedel; Shieh, M; Sona, P; Strakhovenko, V M; Uggerhøj, Erik; Uggerhøj, U; Ünel, G; Velasco, M; Vilakazi, Z Z; Wessely, O; Kononets, Yu.V.

    2004-01-01

    We present new results regarding the features of high energy photon emission by an electron beam of 178 GeV penetrating a 1.5 cm thick single Si crystal aligned at the Strings-Of-Strings (SOS) orientation. This concerns a special case of coherent bremsstrahlung where the electron interacts with the strong fields of successive atomic strings in a plane and for which the largest enhancement of the highest energy photons is expected. The polarization of the resulting photon beam was measured by the asymmetry of electron-positron pair production in an aligned diamond crystal analyzer. By the selection of a single pair the energy and the polarization of individual photons could be measured in an the environment of multiple photons produced in the radiator crystal. Photons in the high energy region show less than 20% linear polarization at the 90% confidence level.

  4. Near-field imaging of a square-lattice metallic photonic-crystal slab at the second band

    Institute of Scientific and Technical Information of China (English)

    Feng Shuai; Feng Zhi-Fang; Ren Kun; Ren Cheng; Li Zhi-Yuan; Cheng Bing-Ying; Zhang Dao-Zhong

    2006-01-01

    Imaging properties of a two-dimensional photonic crystal slab lens are investigated through the finite-difference time-domain method. In this paper, we consider the photonic crystal slab consisting of a square lattice of square metallic rods immersed in a dielectric background. Through the analysis of the equifrequency-surface contours and the field patterns of a point source placed in the vicinity of the photonic crystal slab, we find that a good-quality image can form at the frequencies in the second TM-polarized photonic band. Comparing the images formed at different frequencies, we can clearly see that an excellent-quality image is formed by the mechanisms of simultaneous action of the self-collimation effect and the negative-refraction effect.

  5. Atmospheric chemistry of 4 : 2 fluorotelomer alcohol (CF3(CF2)(3)CH2CH2OH): Products and mechanism of Cl atom initiated oxidation

    DEFF Research Database (Denmark)

    Hurley, MD; Ball, JC; Wallington, TJ;

    2004-01-01

    Smog chamber/FTIR techniques were used to study the products and mechanism of the Cl atom initiated oxidation of 4:2 fluorotelomer alcohol (CF3(CF2)(3)CH2CH2OH) in 700 Torr of N-2/O-2 diluent at 296 K. CF3(CF2)(3)CH2CHO is the sole primary oxidation product. CF3(CF2)(3)CHO, CF3(CF2)(3)CH2COOH, an...

  6. New morphology, symmetry, orientation and perfection of lysozyme crystals grown in a magnetic field when paramagnetic salts (NiCl 2, CoCl 2 and MnCl 2) are used as crystallizing agents

    Science.gov (United States)

    Yin, D. C.; Oda, Y.; Wakayama, N. I.; Ataka, M.

    2003-05-01

    Chlorides with different paramagnetic cations such as Ni 2+, Co 2+ and Mn 2+ were used as crystallizing agents instead of NaCl to crystallize hen egg-white lysozyme. NiCl 2 was found to give two types of crystals with different morphologies: one (roof-like) is a new type of orthorhombic P2 12 12 1 crystal with lattice constants a=79.0 Å, b=80.8 Å, and c=37.5 Å; the second is an ordinary tetragonal crystal of its characteristic shape with a= b=80 Å and c=38 Å. The appearance of the roof-like shape became dominant in the presence of a magnetic field. In the case of using CoCl 2 and MnCl 2, ordinary tetragonal crystals were formed. A striking fact was that the a-axis of the crystals oriented along the magnetic field when CoCl 2 was used, as opposed to the usual c-axis orientation. Large and optically perfect lysozyme crystals can be obtained in a magnetic field when NiCl 2 or MnCl 2 is used as a crystallizing agent. These profound effects of the paramagnetic cations may be caused by the coordination of Ni 2+ and Co 2+ ions to a lysozyme molecule, which was found by X-ray crystallography.

  7. Graphite moderated {sup 252}Cf source

    Energy Technology Data Exchange (ETDEWEB)

    Sajo B, L.; Barros, H.; Greaves, E. D. [Universidad Simon Bolivar, Nuclear Physics Laboratory, Apdo. 89000, 1080A Caracas (Venezuela, Bolivarian Republic of); Vega C, H. R., E-mail: fermineutron@yahoo.com [Universidad Autonoma de Zacatecas, Unidad Academica de Estudios Nucleares, Cipres No. 10, Fracc. La Penuela, 98068 Zacatecas (Mexico)

    2014-08-15

    The thorium molten salt reactor is an attractive and affordable nuclear power option for developing countries with insufficient infrastructure and limited technological capability. In the aim of personnel training and experience gathering at the Universidad Simon Bolivar there is in progress a project of developing a subcritical thorium liquid fuel reactor. The neutron source to run this subcritical reactor is a {sup 252}Cf source and the reactor will use high-purity graphite as moderator. Using the MCNP5 code the neutron spectra of the {sup 252}Cf in the center of the graphite moderator has been estimated along the channel where the liquid thorium salt will be inserted; also the ambient dose equivalent due to the source has been determined around the moderator. (Author)

  8. Electric field induced structural colour tuning of a Silver/Titanium dioxide nanoparticle one-dimensional photonic crystals

    CERN Document Server

    Aluicio-Sarduy, E; del Valle, D G Figueroa; Kriegel, I; Scotognella, F

    2015-01-01

    The active tuning of the structural colour in photonic crystals by an electric field represents an effective external stimulus with impact on light transmission manipulation. In this work we present this effect in a photonic crystal device with alternating layers of Silver and Titanium dioxide nanoparticles showing shifts of around 10 nm for an applied voltage of 10 V only. The accumulation of charges at the metal/dielectric interface with applied electric field leads to an effective increase of the charges contributing to the plasma frequency in Silver. This initiates a blue shift of the Silver plasmon band with a simultaneous blue shift of the photonic band gap as a result of the change in Silver dielectric function, i.e. decrease of the effective refractive index. These results are the first demonstration of active colour tuning in Silver/TiO2 nanoparticle based photonic crystals and open the route to metal/dielectric based photonic crystals as electro-optic switches.

  9. Analysis of the effect of symmetric/asymmetric CUSP magnetic fields on melt/crystal interface during Czochralski silicon growth

    Science.gov (United States)

    Daggolu, Parthiv; Ryu, Jae Woo; Galyukov, Alex; Kondratyev, Alexey

    2016-10-01

    With the use of 300 mm silicon wafers for industrial semiconductor device manufacturing, the Czochralski (Cz) crystal growth process has to be optimized to achieve higher quality and productivity. Numerical studies based on 2D global thermal models combined with 3D simulation of melt convection are widely used today to save time and money in the process development. Melt convection in large scale Cz Si growth is controlled by a CUSP or transversal magnetic field (MF) to suppress the melt turbulence. MF can be optimized to meet necessary characteristics of the growing crystal, in terms of point defects, as MF affects the melt/crystal interface geometry and allows adjustment of the pulling rate. Among the different knobs associated with the CUSP magnetic field, the nature of its configuration, going from symmetric to asymmetric, is also reported to be an important tool for the control of crystallization front. Using a 3D unsteady model of the CGSim software, we have studied these effects and compared with several experimental results. In addition, physical mechanisms behind these observations are explored through a detailed modeling analysis of the effect of an asymmetric CUSP MF on convection features governing the heat transport in the silicon melt.

  10. Electric field induced structural colour tuning of a silver/titanium dioxide nanoparticle one-dimensional photonic crystal

    Directory of Open Access Journals (Sweden)

    Eduardo Aluicio-Sarduy

    2016-10-01

    Full Text Available An electric field is employed for the active tuning of the structural colour in photonic crystals, which acts as an effective external stimulus with an impact on light transmission manipulation. In this work, we demonstrate structural colour in a photonic crystal device comprised of alternating layers of silver nanoparticles and titanium dioxide nanoparticles, exhibiting spectral shifts of around 10 nm for an applied voltage of only 10 V. The accumulation of charge at the metal/dielectric interface with an applied electric field leads to an effective increase of the charges contributing to the plasma frequency in silver. This initiates a blue shift of the silver plasmon band with a simultaneous blue shift of the photonic band gap as a result of the change in the silver dielectric function (i.e. decrease of the effective refractive index. These results are the first demonstration of active colour tuning in silver/titanium dioxide nanoparticle-based photonic crystals and open the route to metal/dielectric-based photonic crystals as electro-optic switches.

  11. Material recognition with a 252Cf source

    CERN Document Server

    Fabris, Daniela; Lunardon, Marcello; Moretto, Sandra; Nebbia, Giancarlo; Pesente, Silvia; Stevanato , Luca; Viesti, Giuseppe; Sajo-Bohusb, Laszlo

    2010-01-01

    Material recognition is studied by measuring simultaneously the transmission of neutron and gamma rays produced by a time-tagged 252Cf source. Light elements (C,N,O) are identified by using the measured transmission versus neutron time of flight. The yield of the transmitted gamma ray as a function of energy provides high precision identification of the atomic number of the sample up to Z=83 . A tomography system, currently under construction, is described.

  12. Photoionisation study of Xe.CF4 and Kr.CF4 van-der-Waals molecules.

    Science.gov (United States)

    Alekseev, V A; Garcia, G A; Kevorkyants, R; Nahon, L

    2016-05-14

    We report on photoionization studies of Xe.CF4 and Kr.CF4 van-der-Waals complexes produced in a supersonic expansion and detected using synchrotron radiation and photoelectron-photoion coincidence techniques. The ionization potential of CF4 is larger than those of the Xe and Kr atoms and the ground state of the Rg.CF4 (+) ion correlates with Rg(+) ((2)P3/2) + CF4. The onset of the Rg.CF4 (+) signals was found to be only ∼0.2 eV below the Rg ionization potential. In agreement with experiment, complementary ab initio calculations show that vertical transitions originating from the potential minimum of the ground state of Rg.CF4 terminate at a part of the potential energy surfaces of Rg.CF4 (+), which are approximately 0.05 eV below the Rg(+) ((2)P3/2) + CF4 dissociation limit. In contrast to the neutral complexes, which are most stable in the face geometry, for the Rg.CF4 (+) ions, the calculations show that the minimum of the potential energy surface is in the vertex geometry. Experiments which have been performed only with Xe.CF4 revealed no Xe.CF4 (+) signal above the first ionization threshold of Xe, suggesting that the Rg.CF4 (+) ions are not stable above the first dissociation limit.

  13. Dependence of Pentacene Crystal Growth on Dielectric Roughness for Fabrication of Flexible Field-Effect Transistors

    Energy Technology Data Exchange (ETDEWEB)

    Yang, H.; Yang, C; Kim, S; Jang, M; Park, C

    2010-01-01

    The dependence of pentacene nanostructures on gate dielectric surfaces were investigated for flexible organic field-effect transistor (OFET) applications. Two bilayer types of polymer/aluminum oxide (Al{sub 2}O{sub 3}) gate dielectrics were fabricated on commercial Al foils laminated onto a polymer back plate. Some Al foils were directly used as gate electrodes, and others were smoothly polished by an electrolytic etching. These Al surfaces were then anodized and coated with poly({alpha}-methyl styrene) (PAMS). For PAMS/Al{sub 2}O{sub 3} dielectrics onto etched Al foils, surface roughness up to 1 nm could be reached, although isolated dimples with a lateral diameter of several micrometers were still present. On PAMS/Al{sub 2}O{sub 3} dielectrics (surface roughness >40 nm) containing mechanical grooves of Al foil, average hole mobility ({mu}FET) of 50 nm thick pentacene-FETs under the low operating voltages (|V| < 6 V) was {approx}0.15 cm{sup 2} V{sup -1} s{sup -1}. In contrast, pentacene-FETs employing the etched Al gates exhibited {mu}FET of 0.39 cm{sup 2} V{sup -1} s{sup -1}, which was comparable to that of reference samples with PAMS/Al{sub 2}O{sub 3} dielectrics onto flat sputtered Al gates. Conducting-probe atomic force microscopy and two-dimensional X-ray diffraction of pentacene films with various thicknesses revealed different out-of-plane and in-plane crystal orderings of pentacene, depending on the surface roughness of the gate dielectrics.

  14. Touch sensors based on planar liquid crystal-gated-organic field-effect transistors

    Energy Technology Data Exchange (ETDEWEB)

    Seo, Jooyeok; Lee, Chulyeon; Han, Hyemi; Lee, Sooyong; Nam, Sungho; Kim, Youngkyoo, E-mail: ykimm@knu.ac.kr [Organic Nanoelectronics Laboratory, Department of Chemical Engineering and Graduate School of Applied Chemical Engineering, Kyungpook National University, Daegu, 702-701 (Korea, Republic of); Kim, Hwajeong [Organic Nanoelectronics Laboratory, Department of Chemical Engineering and Graduate School of Applied Chemical Engineering, Kyungpook National University, Daegu, 702-701 (Korea, Republic of); Priority Research Center, Research Institute of Advanced Energy Technology, Kyungpook National University, Daegu, 702-701 (Korea, Republic of); Lee, Joon-Hyung [School of Materials Science and Engineering, Kyungpook National University, Daegu, 702-701 (Korea, Republic of); Park, Soo-Young; Kang, Inn-Kyu [Department of Polymer Science and Engineering and Graduate School of Applied Chemical Engineering, Kyungpook National University, Daegu, 702-701 (Korea, Republic of)

    2014-09-15

    We report a tactile touch sensor based on a planar liquid crystal-gated-organic field-effect transistor (LC-g-OFET) structure. The LC-g-OFET touch sensors were fabricated by forming the 10 μm thick LC layer (4-cyano-4{sup ′}-pentylbiphenyl - 5CB) on top of the 50 nm thick channel layer (poly(3-hexylthiophene) - P3HT) that is coated on the in-plane aligned drain/source/gate electrodes (indium-tin oxide - ITO). As an external physical stimulation to examine the tactile touch performance, a weak nitrogen flow (83.3 μl/s) was employed to stimulate the LC layer of the touch device. The LC-g-OFET device exhibited p-type transistor characteristics with a hole mobility of 1.5 cm{sup 2}/Vs, but no sensing current by the nitrogen flow touch was measured at sufficiently high drain (V{sub D}) and gate (V{sub G}) voltages. However, a clear sensing current signal was detected at lower voltages, which was quite sensitive to the combination of V{sub D} and V{sub G}. The best voltage combination was V{sub D} = −0.2 V and V{sub G} = −1 V for the highest ratio of signal currents to base currents (i.e., signal-to-noise ratio). The change in the LC alignment upon the nitrogen flow touch was assigned as the mechanism for the present LC-g-OFET touch sensors.

  15. Reversed Crystal-Field Splitting and Spin-Orbital Ordering in α-Sr2CrO4

    Science.gov (United States)

    Ishikawa, Takashi; Toriyama, Tatsuya; Konishi, Takehisa; Sakurai, Hiroya; Ohta, Yukinori

    2017-03-01

    The origin of successive phase transitions observed in the layered perovskite α-Sr2CrO4 is studied by the density-functional-theory-based electronic structure calculation and mean-field analysis of the proposed low-energy effective model. We find that, despite the fact that the CrO6 octahedron is elongated along the c-axis of the crystal structure, the crystal-field level of nondegenerate 3dxy orbitals of the Cr ion is lower in energy than that of doubly degenerate 3dyz and 3dxz orbitals, giving rise to the orbital degrees of freedom in the system with a 3d2 electron configuration. We show that the higher (lower) temperature phase transition is caused by the ordering of the orbital (spin) degrees of freedom.

  16. Nucleation and evaporation of domains due to electric field at room temperature in BaTiO3 single crystals

    Indian Academy of Sciences (India)

    C M Dudhe; P R Arjunwadkar

    2015-09-01

    A study of nucleation and evaporation of 90° and 180° domains by external direct current (dc) electric field at room temperature in barium titanate single crystals has been carried out using reflecting microscope. It was observed that both the 90° and 180° domains were nucleated at some sites, while evaporated at some other sites of the crystal surface. The 90° domain follows the mechanism of micro-domain wall nucleation as well as the evaporation based on impurity dipoles, like reported for KNbO3. The mechanism of the 180° domain nucleation is not established yet. However, in both cases, nucleation and evaporation are operative simultaneously by the same electric field, which seems to be quite interesting and which can be attributed to the different critical lengths of the domains.

  17. First-principles study of the local structure and crystal field of Yb2+ in sodium and potassium halides

    Institute of Scientific and Technical Information of China (English)

    Wen Jun; Duan Chang-Kui; Yin Min; Yu.V.Orlovskii; Xia Shang-Da; Zhang Yong-Fan

    2012-01-01

    The local coordination structures around the doping Yb2+ ions in sodium and potassium halides were calculated by using the first-principles supercell model.Both the cases with and without the charge compensation vacancy in the local environment of the doping Yb2+ were calculated to study the effect of the doping on the local coordination structures of Yb2+.Using the calculated local structures,we obtained the crystal-field parameters for the Yb2+ ions doped in sodium and potassium halides by a method based on the combination of the quantum-chemical calculations and the effective Hamiltonian method.The calculated crystal-field parameters were analyzed and compared with the fitted results.

  18. Poisson-Boltzmann equation and electro-convective instability in ferroelectric liquid crystals: a mean-field approach

    Science.gov (United States)

    Lahiri, T.; Pal Majumder, T.; Ghosh, N. K.

    2014-07-01

    Commercialization of ferroelectric liquid crystal displays (FLCDs) suffers from mechanical and electro-convective instabilities. Impurity ions play a pivotal role in the latter case, and therefore we developed a mean-field type model to understand the complex role of space charges, particularly ions in a ferroelectric liquid crystal. Considering an effective ion-chirality relation, we obtained a modified Poisson-Boltzmann equation for ions dissolved into a chiral solvent like the ferroelectric smectic phase. A nonuniform director profile induced by the mean electrostatic potential of the ions is then calculated by solving an Euler-Lagrange equation for a helically twisted smectic state. A combination of effects resulting from molecular chirality and an electrostatically driven twist created by the ions seems to produce this nonuniform fluctuation in the director orientation. Finally, both theoretical and experimental points of view are presented on the prediction of this mean-field model.

  19. Oblique propagation of electrons in crystals of germanium and silicon at sub-Kelvin temperature in low electric fields

    CERN Document Server

    Cabrera, B; Moffatt, R; Sundqvist, K; Sadoulet, B

    2010-01-01

    We show that oblique propagation of electrons in crystals of Ge and Si, where the electron velocity does not follow the electric field even on average, can be explained using standard anisotropic theory for indirect gap semiconductors. These effects are pronounced at temperatures below ~1K and for electric fields below ~5V/cm because inter-valley transitions are energetically suppressed forcing electrons to remain in the same band valley throughout their motion and the valleys to separate in position space. To model, we start with an isotropic approximation which incorporates the average properties of the crystals with one phonon mode, and include the ellipsoidal electron valleys by transforming into a momentum space where constant energy surfaces are spheres. We include comparisons of simulated versus measured drift velocities for holes and electrons, and explain the large discrepancy between electrons and holes for shared events in adjacent electrodes.

  20. Defect study by sub-second relaxation of the internal field after polarization reversal in lithium niobate crystals

    Energy Technology Data Exchange (ETDEWEB)

    Ro, Jung Hoon; Kim, Tae Hoon; Ro, Ji Hyun; Cha, Myoung Sik [Pusan National Univ., Pusan (Korea, Republic of)

    2002-03-01

    The difficulty in measuring the fast response of the coercive field in lithium-niobate (LN) crystals after polarization reversal was overcome by using the partial poling method. The measurement revealed two distinct relaxations of the internal field in LN crystals. Their physical origins are discussed using a non-stoichiometric defect model of LN based on the fact that the functional form of the experimental data was found to be a stretched exponential. The magnitude of the internal field was expected to be proportional to the defect concentration, which was verified using samples with reduced defect concentrations which were fabricated using the vapor transport equilibration method. This experimental method may be used as a useful defect characterization technique. The inherent coercive field of stoichiometric LN was expected to be 1.1 {approx} 1.5 kV/mm by subtracting the total contributions of the internal field and the wall-velocity-dependent terms from the measured poling field of congruent LN ({approx} 21 kV/mm)

  1. Liquid crystal wavefront corrector with modal response based on spreading of the electric field in a dielectric material

    OpenAIRE

    Loktev, M.; Vdovine, G.V.; Klimov, N.; Kotova, S.

    2007-01-01

    A novel liquid crystal (LC) wavefront corrector with smooth modal influence functions is proposed and realized. The device consists of a thin layer of planar aligned nematic LC sandwiched between a glass plate with a conductive electrode and a plate made of ceramic material with a very high dielectric constant. Control electrodes are positioned on the back side of the ceramic plate, opposite to the LC. The modal character of the response is determined by spreading of the electric field in the...

  2. Crystal Plasticity Modeling of Microstructure Evolution and Mechanical Fields During Processing of Metals Using Spectral Databases

    Science.gov (United States)

    Knezevic, Marko; Kalidindi, Surya R.

    2017-05-01

    This article reviews the advances made in the development and implementation of a novel approach to speeding up crystal plasticity simulations of metal processing by one to three orders of magnitude when compared with the conventional approaches, depending on the specific details of implementation. This is mainly accomplished through the use of spectral crystal plasticity (SCP) databases grounded in the compact representation of the functions central to crystal plasticity computations. A key benefit of the databases is that they allow for a noniterative retrieval of constitutive solutions for any arbitrary plastic stretching tensor (i.e., deformation mode) imposed on a crystal of arbitrary orientation. The article emphasizes the latest developments in terms of embedding SCP databases within implicit finite elements. To illustrate the potential of these novel implementations, the results from several process modeling applications including equichannel angular extrusion and rolling are presented and compared with experimental measurements and predictions from other models.

  3. Near-Field Orientation Sensitive Terahertz Micro-Spectroscopy of Single Crystals

    Science.gov (United States)

    Acbas, Gheorghe; Singh, Rohit; Snell, Edward; Markelz, Andrea

    2012-02-01

    We present spectroscopic imaging studies of molecular crystals. These measurements examine the anisotropy of the intra and inter-molecular vibrational modes of single crystals at terahertz frequencies. The method is based on the technique developed in [1-2] for sub-wavelength resolution time domain terahertz spectroscopy (THz TDS), with added polarization orientation dependent measurements and hydration control. This method allows us to study the spectroscopic properties of small single crystals with sizes down to 20 micrometers. In addition, mapping the spectroscopic information at such small spatial scales allows us to reduce the water absorption and interference artifacts that usually affect protein THz TDS measurements. We show the polarization sensitive terahertz absorption spectra in the (0.3-3THz) range of sucrose, oxalic acid and lysozyme protein crystals. *M. A. Seo, et. al., Opt. Express, 15(19):11781--11789, 09 (2007) *J. R Knab, et. al., App. Phys. Lett.,97, 031115 (2010)

  4. Field-induced refractive index variation in the dark conglomerate phase for polarization-independent switchable liquid crystal lenses.

    Science.gov (United States)

    Milton, H E; Nagaraj, M; Kaur, S; Jones, J C; Morgan, P B; Gleeson, H F

    2014-11-01

    Liquid crystal lenses are an emerging technology that can provide variable focal power in response to applied voltage. Many designs for liquid-crystal-based lenses are polarization dependent, so that 50% of light is not focused as required, making polarization-independent technologies very attractive. Recently, the dark conglomerate (DC) phase, which is an optically isotropic liquid crystalline state, has been shown to exhibit a large change in refractive index in response to an applied electric field (Δn=0.04). This paper describes computational modeling of the electrostatic solutions for two different types of 100 μm diameter liquid crystal lenses, which include the DC phase, demonstrating that it shows great potential for efficient isotropic optical switching in lenses. A feature of the field dependence of the refractive index change in the DC phase is that it is approximately linear in a certain range, leading to the prediction of excellent optical quality for driving fields in this regime. Interestingly, a simulated microlens is shown to exhibit two modes of operation: a positive lens based upon a uniform bulk change in refractive index at high voltages, and a negative lens resulting from the induction of a gradient index effect at intermediate voltages.

  5. Dynamically tuning the optical properties of Europium-doped sodium niobate nano-crystals through magnetic field

    Science.gov (United States)

    Xiao, Quanlan; Zhang, Yuanhao; Zhang, Junpei; Zhang, Han; Dong, Guoping; Han, Junbo; Qiu, Jianrong

    2016-11-01

    We have fabricated high quality NaNbO3:Eu3+ nano-crystals based on the Pechini sol-gel method and realized its magneto-optical effect under external pulsed magnetic field. Our results show that magnetic field can induce the suppression of luminescence, the splitting of peaks, and shifting of peak locations due to the expansion of electric dipole emission in Europium ions, and further demonstrate that the magnetic dipole emission plays an insignificant role in effect on the magnetic dipole emission for Eu3+:5 D 0 → 7 F 1, 5 D 0 → 7 F 3 transitions in NaNbO3:Eu3+ nano-crystals. These magnetic-optical interactions are attributed to the results of the Zeeman effect by high magnetic field that could result in the change of the symmetry of Eu3+ ions, and there is different sensitivity to changes of symmetry for Eu3+:5 D 0 → 7 F J (J = 1-4) transitions in NaNbO3 nano-crystals. This work might provide a viable magneto-optical approach in tuning the optical properties (luminescence intensity, peak location, profile, etc) of the rare-earth ions doped nano-particles.

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

    Science.gov (United States)

    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.

  7. Directional point-contact spectroscopy of MgB$_{2}$ single crystals in magnetic fields two-band superconductivity and critical fields

    CERN Document Server

    Gonnelli, R S; Ummarino, G A; Della Rocca, V; Calzolari, A; Stepanov, V A; Jun, J; Kazakov, S M; Karpinski, J; Dellarocca, Valeria

    2004-01-01

    The results of the first directional point-contact measurements in MgB2 single crystals, in the presence of magnetic fields up to 9 T either parallel or perpendicular to the ab planes, are presented. By applying suitable magnetic fields, we separated the partial contributions of the sigma and pi bands to the total Andreev-reflection conductance. Their fit with the BTK model allowed a very accurate determination of the temperature dependency of the gaps (Delta_sigma and Delta_pi), that resulted in close agreement with the predictions of the two-band models for MgB2. We also obtained, for the first time with point-contact spectroscopy, the temperature dependence of the (anisotropic) upper critical field of the sigma band and of the (isotropic) upper critical field of the pi band.

  8. Anisotropy of the upper critical fields and the paramagnetic Meissner effect in La1.85Sr0.15CuO4 single crystals

    Science.gov (United States)

    Felner, I.; Tsindlekht, M. I.; Drachuck, G.; Keren, A.

    2013-02-01

    Optimally doped La1.85Sr0.15CuO4 single crystals have been investigated by dc and ac magnetic measurements. These crystals have rectangular needle-like shapes with the long needle axis parallel to the crystallographic c axis (c-crystal) or parallel to the basal planes (a-crystal). In both crystals, the temperature dependence of the upper critical fields (HC2) and the surface critical field (HC3) were measured. The H-T phase diagram is presented. Close to TC = 35 K, for the c-crystal, {\\boldsymbol{\\gamma}}^{c}={H}_{{C3}}^{c}/{H}_{{C2}}^{c}=1.8 0(2), whereas for the a-crystal the {\\boldsymbol{\\gamma}}^{a}={H}_{{C3}}^{a}/{H}_{{C2}}^{a}=4.0(2) obtained is much higher than 1.69, predicted by the ideal mathematical model. At low applied dc fields, positive field-cooled branches known as the ‘paramagnetic Meissner effect’ (PME) are observed; their magnitude is inversely proportional to H. The anisotropic PME is observed in both a- and c-crystals, only when the applied field is along the basal planes. It is speculated that the high γa and the PME are connected to each other.

  9. Investigation of the atomic emission spectroscopy of F atoms and CF2 molecules in CF4 plasma processing

    Science.gov (United States)

    Jin, Huiliang; Li, Jie; Tang, Caixue; Deng, Wenhui; Chen, Xianhua

    2016-10-01

    The surface chemistry reaction involved in the processing of Atmospheric Pressure Plasma Jet (APPJ) produced from CF4 precursor has been explored. The atomic emission spectroscopy of F atoms and CF2 molecules was investigated as they contribute to substrate etching and FC film formation during APPJ processing. Optical emission spectroscopy (OES) spectra were acquired for CF4 plasma, relative concentrations of excited state species of F atoms and CF2 molecules were also dependent upon plasma parameters. The densities of F atoms increased dramatically with increasing applied RF power, whereas CF2 molecules decreased monotonically over the same power range, the subsequent electron impacted decomposition of plasma species after CF4 precursor fragmentation. The spectrum of the F atoms and CF2 molecules fallowed the same tendency with the increasing concentration of gas CF4, reaching the maximum at the 20sccm and 15sccm respectively, and then the emission intensity of reactive atoms decreased with more CF4 molecules participating. Addition certain amount O2 into CF4 plasma resulted in promoting CF4 dissociation, O2 can easily react with the dissociation product of CF2 molecules, which inhibit the compound of the F atoms, so with the increasing concentration of O2, the concentration of the CF2 molecules decreased and the emission intensities of F atoms showed the maximum at the O2/CF4 ratio of 20%. These results have led to the development of a scheme that illustrates the mechanisms of surface chemistry reaction and the affection of plasma parameters in CF4 plasma systems with respect to F and CF2 gas-phase species.

  10. Orientational instabilities in nematic liquid crystals with weak anchoring under combined action of steady flow and external fields.

    Science.gov (United States)

    Nasibullayev, I Sh; Tarasov, O S; Krekhov, A P; Kramer, L

    2005-11-01

    We study the homogeneous and the spatially periodic instabilities in a nematic liquid crystal layer subjected to steady plane Couette or Poiseuille flow. The initial director orientation is perpendicular to the flow plane. Weak anchoring at the confining plates and the influence of the external electric and/or magnetic field are taken into account. Approximate expressions for the critical shear rate are presented and compared with semianalytical solutions in case of Couette flow and numerical solutions of the full set of nematodynamic equations for Poiseuille flow. In particular the dependence of the type of instability and the threshold on the azimuthal and the polar anchoring strength and external fields is analyzed.

  11. Realization of Field Sequential Color in Simple Matrix Antiferroelectric Liquid Crystal Displays by Utilizing Fast Pretransitional Response

    Science.gov (United States)

    Suzuki, Yasushi; Chen, Guo-Ping; Manna, Uttam; Vij, Jagdish K.; Fukuda, Atsuo

    2009-07-01

    Simple matrix antiferroelectric liquid crystal displays (SM-AFLCDs) are prototyped to realize field sequential color (FSC) by utilizing the fast pretransitional response. The developed FSC-SM-AFLCDs will lead to the replacement of existing static driven FSC-SM-nematic-LCDs. Bright and clear color can be given to already market-acquired, black-and-white SM-LCDs of up to 1/64-duty and 3-in. diagonal size. To optimize the display performance, we analyze two important factors, the large pretransitional effect and the appropriate reset pulse, in terms of the interlayer interaction potential used in describing the field-induced transition of the antiferroelectric smectic phase.

  12. Effect of thermoelectromagnetic convection on the growth of bulk single crystals from semiconductor melts in a constant magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Gorbunov, L.A.

    1987-12-01

    The growth of bulk single crystals in semiconductor melts is investigated with emphasis on the effect of constant magnetic fields on the hydrodynamic processes and heat and mass transfer occurring in the melt. In particular, it is shown that the thermal emf in semiconductor melts can produce thermal currents whose interaction with a constant magnetic field can generate electromagnetic forces and lead to melt mixing (thermoelectromagnetic convection). The parameters of thermoelectromagnetic convection are estimated, and the importance of allowing for its effect in real processes is emphasized. 11 references.

  13. An elusive fulvene 1,7,11,24-C60(CF3)4 and its unusual reactivity.

    Science.gov (United States)

    Whitaker, James B; Kuvychko, Igor V; Shustova, Natalia B; Chen, Yu-Sheng; Strauss, Steven H; Boltalina, Olga V

    2014-02-07

    The X-ray crystal structure of a trifluoromethylfullerene (TMF), 1,7,11,24-C60(CF3)4, is reported for the first time. This elusive intermediate, while highly air stable as a solid, exhibits highly regioselective reactivity towards molecular oxygen in polar solvents, and only when exposed to light.

  14. Alignment of TiO2 (Anatase Crystal of Dye-Sensitized Solar Cells by External Magnetic Field

    Directory of Open Access Journals (Sweden)

    Na-Yeong Hong

    2013-01-01

    Full Text Available In this study, magnetic field (B was applied on TiO2 (anatase of dye-sensitized solar cell (DSC for alignment of crystal. Magnetic field was applied on TiO2 when deposited TiO2 on the fluorine tin oxide (FTO was dried at 373 K for crystalline orientation. And applying time of B was varied 0~25 min. Characteristics of the magnetic field applied TiO2 films were analyzed by X-ray diffraction (XRD, high resolution transmission electron microscopy (HRTEM, scanning electron microscopy (SEM, and electrochemical impedance spectroscopy (EIS. Current-voltage characteristics were also analyzed using solar simulator, and it was confirmed that the energy conversion efficiency of 41% was increased. Finally, it was identified that the magnetic field affected orientation of TiO2, resulting in the enhancement of the performance of the DSC.

  15. Partial Dissolution of Charge Order Phase Observed in β-(BEDT-TTF)2PF6 Single Crystal Field Effect Transistor.

    Science.gov (United States)

    Sakai, Masatoshi; Moritoshi, Norifumi; Kuniyoshi, Shigekazu; Yamauchi, Hiroshi; Kudo, Kazuhiro; Masu, Hyuma

    2016-04-01

    The effect of an applied gate electric field on the charge-order phase in β-(BEDT-TTF)2PF6 single-crystal field-effect transistor structure was observed at around room temperature by technical improvement with respect to sample preparation and electrical measurements. A relatively slight but systematic increase of the electrical conductance induced by the applied gate electric field and its temperature dependence was observed at around the metal-insulator transition temperature (TMI). The temperature dependence of the modulated electrical conductance demonstrated that TMI was shifted toward the lower side by application of a gate electric field, which corresponds to partial dissolution of the charge-order phase. The thickness of the partially dissolved charge order region was estimated to be several score times larger than the charge accumulation region.

  16. Honeycomb-Lattice Heisenberg-Kitaev Model in a Magnetic Field: Spin Canting, Metamagnetism, and Vortex Crystals

    Science.gov (United States)

    Janssen, Lukas; Andrade, Eric C.; Vojta, Matthias

    2016-12-01

    The Heisenberg-Kitaev model is a paradigmatic model to describe the magnetism in honeycomb-lattice Mott insulators with strong spin-orbit coupling, such as A2IrO3 (A =Na , Li ) and α -RuCl3 . Here, we study in detail the physics of the Heisenberg-Kitaev model in an external magnetic field. Using a combination of Monte Carlo simulations and spin-wave theory, we map out the classical phase diagram for different directions of the magnetic field. Broken SU(2) spin symmetry renders the magnetization process rather complex, with sequences of phases and metamagnetic transitions. In particular, we find various large-unit-cell and multi-Q phases including a vortex-crystal phase for a field in the [111 ] direction. We also discuss quantum corrections in the high-field phase.

  17. Crystallization behavior of electroless Co-Ni-B alloy plated in magnetic field in presence of cerium

    Institute of Scientific and Technical Information of China (English)

    XUAN Tian-peng; ZHANG Lei; HUANG Qin-hua

    2006-01-01

    The electrochemical property, chemical composition and crystal structure of electroless Co-Ni-B-Ce alloy plated in general state as well as in magnetic field were studied using potentiometer, plasma emission spectrometer, X-ray diffractometer,transmission electron microscope. The results show that the static potential and polarizability of electroless Co-Ni-B alloy are remarkably improved as the plating is carried out in magnetic field in the presence of a little amount of cerium in plating bath.Because of the action of magnetic field and rare earth element cerium, the boron content in alloy decreases, while cobalt and nickel contents increase. As a result, the amorphous Co-Ni-B alloy transforms to the microcrystalline Co-Ni-B-Ce alloy when the plating is in general state, and the Co-Ni-B alloy makes a crystalline transformation because of the action of magnetic field and rare earth element cerium.

  18. Local observation of modes from three-dimensional woodpile photonic crystals with near-field microspectroscopy under supercontinuum illumination.

    Science.gov (United States)

    Jia, Baohua; Norton, Andrew H; Li, Jiafang; Rahmani, Adel; Asatryan, Ara A; Botten, Lindsay C; Gu, Min

    2008-05-15

    A near-field microscope coupled with a near-infrared (NIR) supercontinuum source is developed and applied to characterize optical modes in a three-dimensional (3D) woodpile photonic crystal (PC) possessing a NIR partial bandgap. Spatially resolved near-field intensity distributions under different illumination wavelengths demonstrate that the electric fields preferentially dwell in the polymer rods or in the gaps between rods, respectively, for frequencies below or above the stop gap, as predicted by the 3D finite-difference time-domain modeling. Near-field microspectroscopy further reveals that the position-dependent band-edge effect plays an important role in PC-based all-optical integrated devices.

  19. Engineering the near-field imaging of a rectangular-lattice photonic-crystal slab in the second band

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    Imaging properties of a two-dimensional rectangular-lattice photonic crystal (PC) slab consisting of air holes immersed in a dielectric are studied in this work. The field patterns of electromagnetic waves radiated from a point source through the PC slab are calculated with the finite-difference time-domain method. Comparing the field patterns with the corresponding equifrequency-surface contours simulated by the plane-wave expansion method, we find that an excellent-quality near-field image may be formed through the PC slab by the mechanisms of the simultaneous action of the self-collimation effect and the negative-refraction effect. Near-field imaging may be obtained within two different frequency regions in two vertical directions of the PC slab.

  20. Engineering the near-field imaging of a rectangular-lattice photonic-crystal slab in the second band

    Institute of Scientific and Technical Information of China (English)

    FENG Shuai; AO Ling; WANG YiQuan

    2009-01-01

    Imaging properties of a two-dimensional rectangular-lattice photonic crystal (PC) slab consisting of air holes immersed in a dielectric are studied in this work. The field patterns of electromagnetic waves radiated from a point source through the PC slab are calculated with the finite-difference time-domain method. Comparing the field patterns with the corresponding equifrequency-surface contours simu-lated by the plane-wave expansion method, we find that an excellent-quality near-field image may be formed through the PC slab by the mechanisms of the simultaneous action of the self-collimation effect and the negative-refraction effect. Near-field imaging may be obtained within two different frequency regions in two vertical directions of the PC slab.

  1. Propagation characteristics of a focused laser beam in a strontium barium niobate photorefractive crystal under reverse external electric field.

    Science.gov (United States)

    Guo, Q L; Liang, B L; Wang, Y; Deng, G Y; Jiang, Y H; Zhang, S H; Fu, G S; Simmonds, P J

    2014-10-01

    The propagation characteristics of a focused laser beam in a SBN:75 photorefractive crystal strongly depend on the signal-to-background intensity ratio (R=Is/Ib) under reverse external electric field. In the range 20>R>0.05, the laser beam shows enhanced self-defocusing behavior with increasing external electric field, while it shows self-focusing in the range 0.03>R>0.01. Spatial solitons are observed under a suitable reverse external electric field for R=0.025. A theoretical model is proposed to explain the experimental observations, which suggest a new type of soliton formation due to "enhancement" not "screening" of the external electrical field.

  2. Simultaneous negative refraction and focusing of fundamental frequency and second-harmonic fields by two-dimensional photonic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Jun [School of Physics, Beijing Institute of Technology and Beijing Key Laboratory of Fractional Signals and Systems, Beijing 100081 (China); College of Physics and Electronic Engineering, Henan Normal University, 453007 Xinxiang, Henan (China); Zhang, Xiangdong, E-mail: zhangxd@bit.edu.cn [School of Physics, Beijing Institute of Technology and Beijing Key Laboratory of Fractional Signals and Systems, Beijing 100081 (China)

    2015-09-28

    Simultaneous negative refraction for both the fundamental frequency (FF) and second-harmonic (SH) fields in two-dimensional nonlinear photonic crystals have been found through both the physical analysis and exact numerical simulation. By combining such a property with the phase-matching condition and strong second-order susceptibility, we have designed a SH lens to realize focusing for both the FF and SH fields at the same time. Good-quality non-near field images for both FF and SH fields have been observed. The physical mechanism for such SH focusing phenomena has been disclosed, which is different from the backward SH generation as has been pointed out in the previous investigations. In addition, the effect of absorption losses on the phenomena has also been discussed. Thus, potential applications of these phenomena to biphotonic microscopy technique are anticipated.

  3. Thickness-Dependent and Magnetic-Field-Driven Suppression of Antiferromagnetic Order in Thin V5S8 Single Crystals.

    Science.gov (United States)

    Hardy, Will J; Yuan, Jiangtan; Guo, Hua; Zhou, Panpan; Lou, Jun; Natelson, Douglas

    2016-06-28

    With materials approaching the 2D limit yielding many exciting systems with intriguing physical properties and promising technological functionalities, understanding and engineering magnetic order in nanoscale, layered materials is generating keen interest. One such material is V5S8, a metal with an antiferromagnetic ground state below the Néel temperature TN ∼ 32 K and a prominent spin-flop signature in the magnetoresistance (MR) when H∥c ∼ 4.2 T. Here we study nanoscale-thickness single crystals of V5S8, focusing on temperatures close to TN and the evolution of material properties in response to systematic reduction in crystal thickness. Transport measurements just below TN reveal magnetic hysteresis that we ascribe to a metamagnetic transition, the first-order magnetic-field-driven breakdown of the ordered state. The reduction of crystal thickness to ∼10 nm coincides with systematic changes in the magnetic response: TN falls, implying that antiferromagnetism is suppressed; and while the spin-flop signature remains, the hysteresis disappears, implying that the metamagnetic transition becomes second order as the thickness approaches the 2D limit. This work demonstrates that single crystals of magnetic materials with nanometer thicknesses are promising systems for future studies of magnetism in reduced dimensionality and quantum phase transitions.

  4. Influence of rotating magnetic fields on THM growth of CdZnTe crystals under microgravity and ground conditions

    Science.gov (United States)

    Stelian, Carmen; Duffar, Thierry

    2015-11-01

    The influence of rotating magnetic fields (RMF) on species transport and interface stability during the growth of Cd0.96Zn0.04Te:In crystals by using the traveling heater method (THM), under microgravity and terrestrial conditions, is numerically investigated. The numerical results are compared to ground and space experiments. The modeling of THM under ground conditions shows very deleterious effects of the natural convection on the morphological stability of the growth interface. The vertical flow transports the liquid of low Te concentration from the dissolution interface to the growth interface, which is consequently destabilized. The suppression of this flow, in low-gravity conditions, results in higher morphological stability of the growth interface. Application of RMF induces a two flow cell pattern, which has a destabilizing effect on the growth interface. Simulations performed by varying the magnetic field induction in the range of 1 - 3 mT show optimal conditions for the growth with a stable interface at low strength of the magnetic field (B = 1 mT). Computations of indium distribution show a better homogeneity of crystals grown under purely diffusive conditions. Rotating magnetic fields of B = 1 mT induce low intensity convection, which generates concentration gradients near the growth interface. These numerical results are in agreement with experiments performed during the FOTON M4 space mission, showing good structural quality of Cd0.96Zn0.04Te crystals grown at very low gravity level. Applying low intensity rotating magnetic fields in ground experiments has no significant influence on the flow pattern and solute distribution. At high intensity of RMF (B = 50 mT), the buoyancy convection is damped near the growth front, resulting in a more stable advancing interface. However, convection is strengthening in the upper part of the liquid zone, where the flow becomes unsteady. The multi-cellular unsteady flow generates temperature oscillations, having

  5. DNA- and AC electric field-assisted assembly of two-dimensional colloidal photonic crystals and their controlled defect insertion

    Science.gov (United States)

    Kim, Sejong

    single crystal monolayer in microfluidic chamber. Dielectrophoretic (DEP) force with high frequency electric field induced compression of colloidal microspheres to form colloidal crystal domain at the center of hexapolar shape electrode. DEP-compression/relaxation-cycle-induced aging process significantly facilitated crystal growth of 10 mum monodispersed polystyrene microsphere, allowing grain boundary-free single crystalline monolayer domain of c.a. 200 mum size. Microsphere size as well as size distribution affected the formation of such a single crystalline domain. Utilizing non-ionic polyacrylamide, such a single crystalline domain was successfully immobilized onto the glass substrate without loosing its crystallinity.

  6. The paleomagnetism of single silicate crystals: Recording geomagnetic field strength during mixed polarity intervals, superchrons, and inner core growth

    Science.gov (United States)

    Tarduno, J. A.; Cottrell, R. D.; Smirnov, A. V.

    2006-03-01

    The basic features of the geomagnetic reversal chronology of the last 160 million years are well established. The relationship between this history and other features of the field, however, has been elusive. The determination of past field strength (paleointensity) is especially challenging. Commonly accepted results have come from analyses of bulk samples of lava. Historic lavas have been shown to faithfully record the past field strength when analyzed using the Thellier double-heating method. Data from older lavas, however, tend to show effects of in situ and laboratory-induced alteration. Here we review an alternative approach. Single plagioclase crystals can contain minute magnetic inclusions, 50-350 nm in size, that are potential high-fidelity field recorders. Thellier experiments using plagioclase feldspars from an historic lava on Hawaii provide a benchmark for the method. Rock magnetic data from older lavas indicate that the feldspars are less susceptible to experimental alteration than bulk samples. This resistance is likely related to the lack of clays. In addition, magnetic minerals are sheltered by the encasing silicate matrix from natural alteration that can otherwise transform the well-defined thermoremanent magnetization into an irresolute chemical remanent magnetization. If there is a relationship between geomagnetic reversal frequency and paleointensity, it should be best expressed during superchrons, intervals with few (or no) reversals. Thellier data sets based on single plagioclase crystals from lavas erupted during the Cretaceous Normal Polarity Superchron (~83-120 million years ago) suggest a strong (>12 × 1022 Am2), stable field, consistent with an inverse relationship between reversal frequency and paleointensity. Superchrons may represent times when the pattern of core-mantle boundary heat flux allows the geodynamo to operate at peak efficiency, as suggested in some numerical models. Thellier data from single plagioclase crystals formed

  7. Numerical Simulation of Dendritic crystal growth using phase field method and investigating the effects of different physical parameter on the growth of the dendrite

    OpenAIRE

    Sanal, Rahul

    2014-01-01

    In this journal, we study the phase-field model of solidification for numerical simulation of dendritic crystal growth that occurs during the casting of metals and alloys based on the kobayashi [1] model. Qualitative relationships between shapes of the crystal and physical parameters are studied and visualized.

  8. [New aspects of therapy of mucoviscidosis (CF)].

    Science.gov (United States)

    Dietzsch, H J; Wunderlich, P

    1993-02-01

    The authors survey of recent advances in CF research and their therapeutic implications: 1. the possibility of successful gene therapy by transfer of the normal gene to airway epithelial cells. 2. inhalations with the potassium-sparing diuretic amiloride that diminish the viscosity of the bronchial secretions, 3. application of adenosine or uridine triphosphate (ATP or UTP) to the apical surface of the respiratory epithelial cells which intervene with the function of ion channels, 4. enzymatic cleavage and liquidification of bronchial secretions by aerosolized human recombinante DNase. In addition, the possible advantages of (heart-) lung-transplantation are also discussed.

  9. Curved Ferroelectric Liquid Crystal Matrix Displays Driven by Field-Sequential-Color and Active-Matrix Techniques

    Science.gov (United States)

    Fujikake, Hideo; Sato, Hiroto; Murashige, Takeshi; Fujisaki, Yoshihide; Kurita, Taiichiro; Furukawa, Tadahiro; Sato, Fumio

    This paper describes a curved field-sequential-color matrix display using fast-response ferroelectric liquid crystal. Black matrix and transparent electrode patterns were formed on a thin plastic substrate by a transfer method from a glass substrate. While a composite film of liquid crystal and micro-polymers of walls and fibers was formed between the flexible substrates by printing, laminating and curing processes of a solution of monomers and liquid crystal, the mechanical stability was enhanced by use of multi-functional monomers to form large display panels. The image pixels of the matrix panel were driven by an active matrix scheme using an external switch transistor array at a frequency of 180 Hz for intermittent three-primary-color backlight illumination. The flexible A4-paper-sized color display with 24 × 16 pixels and 60 Hz field frequency was demonstrated by illuminating it with sequential three-primary-color lights from light-emitting diodes of the backlight. Our display system is useful in various information displays because of its freedom of setting and location.

  10. Single-crystal field-effect transistors of new Cl₂-NDI polymorph processed by sublimation in air.

    Science.gov (United States)

    He, Tao; Stolte, Matthias; Burschka, Christian; Hansen, Nis Hauke; Musiol, Thomas; Kälblein, Daniel; Pflaum, Jens; Tao, Xutang; Brill, Jochen; Würthner, Frank

    2015-01-12

    Physical properties of active materials built up from small molecules are dictated by their molecular packing in the solid state. Here we demonstrate for the first time the growth of n-channel single-crystal field-effect transistors and organic thin-film transistors by sublimation of 2,6-dichloro-naphthalene diimide in air. Under these conditions, a new polymorph with two-dimensional brick-wall packing mode (β-phase) is obtained that is distinguished from the previously reported herringbone packing motif obtained from solution (α-phase). We are able to fabricate single-crystal field-effect transistors with electron mobilities in air of up to 8.6 cm(2) V(-1) s(-1) (α-phase) and up to 3.5 cm(2) V(-1) s(-1) (β-phase) on n-octadecyltriethoxysilane-modified substrates. On silicon dioxide, thin-film devices based on β-phase can be manufactured in air giving rise to electron mobilities of 0.37 cm(2) V(-1) s(-1). The simple crystal and thin-film growth procedures by sublimation under ambient conditions avoid elaborate substrate modifications and costly vacuum equipment-based fabrication steps.

  11. Hybrid excitations due to crystal field, spin-orbit coupling, and spin waves in LiFePO4

    Science.gov (United States)

    Yiu, Yuen; Le, Manh Duc; Toft-Peterson, Rasmus; Ehlers, Georg; McQueeney, Robert J.; Vaknin, David

    2017-03-01

    We report on the spin waves and crystal field excitations in single crystal LiFePO4 by inelastic neutron scattering over a wide range of temperatures, below and above the antiferromagnetic transition of this system. In particular, we find extra excitations below TN=50 K that are nearly dispersionless and are most intense around magnetic zone centers. We show that these excitations correspond to transitions between thermally occupied excited states of Fe2 + due to splitting of the S =2 levels that arise from the crystal field and spin-orbit interactions. These excitations are further amplified by the highly distorted nature of the oxygen octahedron surrounding the iron atoms. Above TN, magnetic fluctuations are observed up to at least 720 K, with an additional inelastic excitation around 4 meV, which we attribute to single-ion effects, as its intensity weakens slightly at 720 K compared to 100 K, which is consistent with the calculated cross sections using a single-ion model. Our theoretical analysis, using the MF-RPA model, provides both detailed spectra of the Fe d shell and estimates of the average ordered magnetic moment and TN. By applying the MF-RPA model to a number of existing spin-wave results from other Li M PO4 (M =Mn , Co, and Ni), we are able to obtain reasonable predictions for the moment sizes and transition temperatures.

  12. Experimental studies on the power-frequency breakdown voltage of CF3I/N2/CO2 gas mixture

    Science.gov (United States)

    Zhang, Xiaoxing; Tian, Shuangshuang; Xiao, Song; Li, Yi; Deng, Zaitao; Tang, Ju

    2017-03-01

    Trifluoroiodomethane is a promising alternative to SF6 because of its good insulation properties and much less serious greenhouse effect than SF6. Previous studies have shown that the insulation performance of CF3I mixed with CO2 or N2 can equal that of SF6. This study explored the frequency breakdown characteristics of CF3I and SF6 mixed with two buffer gases. The effects of air pressure and field strength were analyzed. The fixed mixing ratio of CF3I and SF6 was 30% in the experiment. The breakdown experiment was conducted by changing the mixing ratio of CO2 and N2. Results showed that the CO2/N2 mixture ratio did not exert a synergetic effect, and the CF3I/CO2 breakdown performance was better than that of CF3I/N2 in the quasi-uniform and highly non-uniform electric fields. CO2 possibly provided the C atoms for the entire system to maintain a certain balance in C, and this balance inhibited the decomposition of CF3I. The breakdown performance of SF6/N2 was good in quasi-uniform field, whereas that of SF6/CO2 was good in the highly non-uniform field.

  13. Solitons and defects in nematic liquid crystals under a simple shear flow and in a static external magnetic field

    Institute of Scientific and Technical Information of China (English)

    Luo Kai-Fu; Jiang Xiu-Li; Yang Yu-Liang

    2008-01-01

    Under a simple shear flow and in a static external magnetic field, the production of defects in the director-aligning regime of nematic liquid crystals has been investigated in terms of the Leslie-Ericksen theory. The equation of motion of the nematic director, which conforms to the driven over-damped sine-Gordon equation, has a soliton solution of the amplitude π. We show that the stationary state with the director uniformly oriented at a Leslie angle is only a metastable state and the potential, which governs the motion of the director, has a number of stable stationary states. For a strong magnetic field, the higher energy barrier between the stable and unstable states leads the director to be locked along the magnetic field direction. However, at the appropriate shear rate and magnetic field the defects, which appear as a stable solitary solution, can be nucleated from a uniformly aligned nematic liquid crystal. We have calculated the stationary travelling velocity of the solitary waves and the distance between a pair of defects.

  14. Electric field effect on elastic properties of uniaxial relaxor Sr x Ba1‑ x Nb2O6 single crystals with strong random fields

    Science.gov (United States)

    Aftabuzzaman, Md; Helal, Md Al; Dec, Jan; Kleemann, Wolfgang; Kojima, Seiji

    2017-10-01

    The elastic properties of uniaxial relaxor Sr x Ba1‑ x Nb2O6 (x = 0.70, SBN70) single crystals with strong random fields (RFs) were studied by Brillouin scattering spectroscopy as functions of temperature and external electric field along the [001] direction. A remarkable diffuseness of a ferroelectric phase transition was observed both on zero field heating and zero field cooling. The analysis of elastic anomaly shows the stretched critical slowing down of polar nanoregions (PNRs). Under 3.0 kV/cm, a complete alignment of nanodomains and an enhancement of the long-range ferroelectric order were observed below the Curie temperature T C = 23 °C. The alignment of quasistatic PNRs above T C was also observed under a sufficiently strong electric field. In a field-dependent measurement, a mixed state consisting of field-induced macrodomains and nanodomains caused by RFs was observed at 3.4 kV/cm. This mixed state persisted up to 9.0 kV/cm due to the incomplete switching of nanodomains to the macro/single domain state.

  15. Crystal Field and First Principle Calculation of Optical and Electronic Properties of ZnCr2O4 Spinel

    Science.gov (United States)

    Avram, N. M.; Brik, M. G.; Avram, C. N.; Gruia, A. S.

    2011-10-01

    In the present work we report on combined methods for calculation of optical energy levels scheme and electronic properties of antiferromagnetic spinel ZnCr2O4. The exchange charge model (ECM) was used to calculate the crystal field parameters (CFP) with taking into account the effects of the covalent bond formation between the Cr3+ and O2- ions. The calculated CFP values were used for diagonalization of the Cr3+ Hamiltonian in a complete basis set spanned by all wave functions of the LS terms of 3d3 electron configuration. Ab initio calculations (with the CRYSTAL09 computer program) of the density of states allowed evaluating contribution of each ion into the calculated bands. In addition, the spin-polarized calculations allowed for finding difference between densities of the spin-up and spin-down states of 6-fold coordinated Cr3+ ion. The obtained results are discussed and compared with experimental data.

  16. Design of microcavities in diamond-based photonic crystals by Fourier- and real-space analysis of cavity fields

    CERN Document Server

    Riedrich-Möller, Janine; Becher, Christoph

    2010-01-01

    We present the design of two-dimensional photonic crystal microcavities in thin diamond membranes well suited for coupling of color centers in diamond. By comparing simulated and ideal field distributions in Fourier and real space and by according modification of air hole positions and size, we optimize the cavity structure yielding high quality factors up to Q = 320000 with a modal volume of V = 0.35 (lambda/n)^3. Using the very same approach we also improve previous designs of a small modal volume microcavity in silicon, gaining a factor of 3 in cavity Q. In view of practical realization of photonic crystals in synthetic diamond films, it is necessary to investigate the influence of material absorption on the quality factor. We show that this influence can be predicted by a simple model, replacing time consuming simulations.

  17. Fluence-to-dose equivalent conversion factors for polyethylene-moderated {sup 252}Cf

    Energy Technology Data Exchange (ETDEWEB)

    Tanner, J.E.; Soldat, K.L.; Stewart, R.D. [Pacific Northwest Lab., Richland, WA (United States); Casson, W.H. [Los Alamos National Lab., NM (United States)

    1994-04-01

    Neutron measurements and calculations were conducted to characterize the polyethylene-moderated {sup 252}Cf source at Oak Ridge National Laboratory`s Radiation Calibration Laboratory (RADCAL). The 12-inch-diameter polyethylene sphere produces a highly scattered neutron spectrum which is more representative of most radiation fields found in the workplace than the D{sub 2}O-moderated {sup 252}Cf neutron spectrum typically used for dosimeter calibration. However, the energy-dependent fluence and dose equivalent must be well known before using such a source for radiation protection purposes. The measurements and calculations were performed as independent checks of the desired quantities which were the flux, the absorbed dose rate, the dose equivalent rate, and the average energy. These quantities were determined for the polyethylene sphere with and without an outer cadmium shell and compared with a D{sub 2}O-moderated {sup 252}Cf source.

  18. Effects of Soybean Oil Modified Cellulose Fibril and Organosilane Modified Cellulose Fibril on Crystallization of Polypropylene

    Directory of Open Access Journals (Sweden)

    Sarit Thanomchat

    2015-01-01

    Full Text Available Soybean oil modified cellulose fibril (Oil-g-CF and organosilane modified cellulose fibril (Silane-g-CF were prepared using maleinized soybean oil and hexadecyltrimethoxysilane, respectively. Thus obtained modified cellulose fibril was added to polypropylene by a simple melt mixing on a hotplate. PP/modified CF composites with 4.0 wt% filler content were prepared. The composites were subject to a polarized optical microscope to investigate particle dispersion, supramolecular morphology, and crystallization behavior. It was found that Silane-g-CF exhibited smaller particle sizes with better particle distribution when compared to Oil-g-CF. In addition, the etched composite samples unveiled an increase in a number of spherulite crystals as well as a decrease in the spherulite size. The nonisothermal crystallization study of composites revealed that both Oil-g-CF and Silane-g-CF were capable of nucleating PP by facilitating faster crystallization process and raising the number of spherulites. The DSC results indicated that Silane-g-CF was able to perform a more effective nucleation than Oil-g-CF, judged by a higher crystallization temperature. Moreover, PP composites containing Oil-g-CF and Silane-g-CF had higher crystallinity by 7% and 10%, for the first and the latter, respectively, when compared to neat PP.

  19. Crystal orientation effects on the piezoelectric field of strained zinc-blende quantum-well structures

    DEFF Research Database (Denmark)

    Duggen, Lars; Willatzen, Morten; Lassen, Benny

    2008-01-01

    A three-layered zinc-blende quantum-well structure is analyzed subject to both static and dynamic conditions for different crystal growth directions taking into account piezoelectric effects and lattice mismatch. It is found that the strain component Szz in the quantum-well region strongly depend...

  20. Observation of nonlinear bands in near-field scanning optical microscopy of a photonic-crystal waveguide

    CERN Document Server

    Singh, Amandev; Huisman, Simon R; Korterik, Jeroen P; Mosk, Allard P; Herek, Jennifer L; Pinkse, Pepijn W H

    2014-01-01

    We have measured the photonic bandstructure of GaAs photonic-crystal waveguides with high energy and momentum resolution using near-field scanning optical microscopy. Intriguingly, we observe additional bands that are not predicted by eigenmode solvers, as was recently demonstrated by Huisman et al. [Phys. Rev. B 86, 155154 (2012)]. We study the presence of these additional bands by performing measurements of these bands while varying the incident light power, revealing a non-linear power dependence. Here, we demonstrate experimentally and theoretically that the observed additional bands are caused by a waveguide-specific near- field tip effect not previously reported, which can significantly phase-modulate the detected field.

  1. Magnetostriction of fcc(110 single-crystal films of Ni-Fe, Ni, and Co under rotating magnetic fields

    Directory of Open Access Journals (Sweden)

    Ohtani Taiki

    2014-07-01

    Full Text Available Ni-Fe, Ni, and Co(110 single-crystal films with uniaxial magnetic anisotropies are prepared on MgO(110 substrates by radio-frequency magnetron sputtering. The magnetostriction behavior under rotating magnetic fields is investigated. The Ni-Fe film shows waveforms consisting of a mixture of sinusoidal and triangular shapes under fields lower than 200 Oe. The peak of sinusoidal shape is observed when the field is applied along the easy magnetization axis, whereas that of triangular shape appears when the field is applied along the hard axis. With increasing the field from 200 to 300 Oe, the waveform changes to a usual sinusoidal shape. The waveform variation is related to the difference between the directions of uniaxial magnetic anisotropy and magnetization of magnetically unsaturated film. Waveforms consisting of sinusoidal and triangular shapes are also observed for the Ni and the Co films under low rotating fields. The threshold magnetic field where the shape changes to sinusoidal increases in the order of Ni-Fe < Ni < Co. The waveform is influenced by the symmetry and the strength of magnetic anisotropy.

  2. Compositing orbital angular momentum beams in Bi4Ge3O12 crystal for magnetic field sensing

    Science.gov (United States)

    Yu, Shuangfeng; Pang, Fufei; Liu, Huanhuan; Li, Xianjin; Yang, Junfeng; Wang, Tingyun

    2017-08-01

    The polarization states and orbital angular momentum (OAM) properties of light are of considerable importance for several aspects of high-precision optical measurements. In this work, we have investigated the properties of composited OAM beams propagating in a Bi4Ge3O12 crystal under an applied magnetic field and have demonstrated a magnetic field sensing method based on compositing of OAM beams using a Sagnac configuration. The polarization rotation can be projected into petal-like patterns by the rotation of the OAM beams. However, the accurate measurement of the rotation angles of the petal-like patterns of OAM beams remains challenging. Therefore, an image processing technique based on the Radon transform is explored to enable the accurate calculation of the rotation angle of the petal-like patterns of composite OAM beams under different magnetic fields. The rotation angle of these petal-like patterns is found to have a linear dependence on the magnetic field intensity, which means that the proposed system is appropriate for magnetic field sensing applications. Using this method, a magnetic field sensitivity of 28°/T has been achieved experimentally with a measurement error of 0.0123 T in a high-intensity magnetic field ranging from 191 to 3322 G for OAM beams with topological charge (TC) l =±1 .

  3. Transferable force field for crystal structure predictions, investigation of performance and exploration of different rescoring strategies using DFT-D methods.

    Science.gov (United States)

    Broo, Anders; Nilsson Lill, Sten O

    2016-08-01

    A new force field, here called AZ-FF, aimed at being used for crystal structure predictions, has been developed. The force field is transferable to a new type of chemistry without additional training or modifications. This makes the force field very useful in the prediction of crystal structures of new drug molecules since the time-consuming step of developing a new force field for each new molecule is circumvented. The accuracy of the force field was tested on a set of 40 drug-like molecules and found to be very good where observed crystal structures are found at the top of the ranked list of tentative crystal structures. Re-ranking with dispersion-corrected density functional theory (DFT-D) methods further improves the scoring. After DFT-D geometry optimization the observed crystal structure is found at the leading top of the ranking list. DFT-D methods and force field methods have been evaluated for use in predicting properties such as phase transitions upon heating, mechanical properties or intrinsic crystalline solubility. The utility of using crystal structure predictions and the associated material properties in risk assessment in connection with form selection in the drug development process is discussed.

  4. Negative Differential Velocity in Artificial Crystals Probed by High Magnetic Fields

    Science.gov (United States)

    Patanè, A.

    velocity (NDV) effect: at large F (> 1 kV/cm), electrons gain sufficient energy to approach the energy of the resonant N-level, where they become spatially localized.7-10 This Resonant Electron Localization in Electric Field, to which we give the acronym RELIEF, leads to NDV and strongly non-linear current-voltage characteristics. We envisage that the RELIEF-effect could be observed in other III-N-V alloys, such as InP1-xNx and InAs1-xNx. In these compounds the nature of the resonant interaction between the N-level and the conduction band states of the host-crystal is still relatively unexplored. However, it is clear that the different energy positions of the N-level relative to the conduction band minimum of different materials could offer new degrees of freedom in the design of the electronic band structure and electron dynamics. The RELIEF-effect may open up prospects for future applications in fast electronics. We have shown that the maximum response frequency, fmax, of a RELIEF-diode can be tuned by the applied electric field in the THz frequency range.7 This is of potential technological significance for the development of detectors/sources in the 0.6-1 THz region, which is not currently attainable using conventional Transferred Electron Devices and Quantum Cascade Lasers. Our recent studies of GaAs1-xNx have also shown a fast response of the current in the sub-THz frequency range.11 Experiments involving diodes optimized for THz-operation coupled with a quantitative theoretical model of the THz dynamics will be now needed to assess the use of GaAs1-xNx and other III-N-V alloys in detectors/sources of THz radiation. Note from Publisher: This article contains the abstract only.

  5. Near-Field Birefringence Response of Liquid Crystal Molecules in Thickness Direction of Liquid Crystal Thin Film Orientated by Shear Force

    Institute of Scientific and Technical Information of China (English)

    Jing QIN; Norihiro UMEDA

    2007-01-01

    Information of molecular orientation in nematic liquid crystal (LC) is attractive and important for applications in the field of display devices. We demonstrate a novel method using a birefringence scanning near-field optical microscope (Bi-SNOM) with a probe which is inserted into the LC thin film to detect the molecular orientation from its birefringence responses in the thickness direction of the LC thin film. The probe is laterally vibrated when going forward into the LC thin film, and the retardation and azimuth angle are recorded as the probe going down. Firstly, the thickness of the LC thin film is measured by the shear force detection. Since the shear force acts as a stimulation to reorientate the LC molecules above the substrate surface, we can detect the molecular orientation caused by a polyimide alignment substrate and the effect to molecular orientation caused by vibration of fibre probe. As a result, the orientation profiling of the LC film in depth direction is obtained in both the cases that the direction of probe vibrating is vertical/parallel to the rubbing direction of the alignment film.Furthermore, the thickness of completely orientated layers just above the substrate surface can also be obtained by either vibrating probe or no-vibrating probe. Ultimately, the LC thin film can be modelled in thickness direction from all the results using this method.

  6. Noninvasive Vibrational Mode Spectroscopy of Ion Coulomb Crystals through Resonant Collective Coupling to an Optical Cavity Field

    DEFF Research Database (Denmark)

    Dantan, Aurélien; Marler, Joan; Albert, Magnus

    2010-01-01

    We report on a novel noninvasive method to determine the normal mode frequencies of ion Coulomb crystals in traps based on the resonance enhanced collective coupling between the electronic states of the ions and an optical cavity field at the single photon level. Excitations of the normal modes...... are observed through a Doppler broadening of the resonance. An excellent agreement with the predictions of a zero-temperature uniformly charged liquid plasma model is found. The technique opens up for investigations of the heating and damping of cold plasma modes, as well as the coupling between them....

  7. Absence of first order transition in the random crystal field Blume-Capel model on a fully connected graph

    Science.gov (United States)

    Sumedha; Jana, Nabin Kumar

    2017-01-01

    In this paper we solve the Blume-Capel model on a complete graph in the presence of random crystal field with a distribution, P≤ft({{ Δ }i}\\right)=pδ ≤ft({{ Δ }i}- Δ \\right)+(1-p)δ ≤ft({{ Δ }i}+ Δ \\right) , using large deviation techniques. We find that the first order transition of the pure system is destroyed for 0.046    0.954) even at zero temperature.

  8. Optical characterization and crystal field calculations for some erbium based solid state materials for laser refrigeration

    Science.gov (United States)

    Hasan, Z.; Qiu, Z.; Johnson, Jackie; Homerick, Uwe

    2009-02-01

    The potential of three erbium based solids hosts has been investigated for laser cooling. Absorption and emission spectra have been studied for the low lying IR transitions of erbium that are relevant to recent reports of cooling using the 4I15/2-4I9/2 and4I15/2 -4I13/2 transitions. Experimental studies have been performed for erbium in three hosts; ZBLAN glass and KPb2Cl5 and Cs2NaYCl6 crystals. In order to estimate the efficiencies of cooling, theoretical calculations have been performed for the cubic Elpasolite (Cs2NaYCl6 ) crystal. These calculations also provide a first principle insight into the cooling efficiency for non-cubic and glassy hosts where such calculations are not possible.

  9. Crystallization of 640 kg mc-silicon ingots under traveling magnetic field by using a heater-magnet module

    Science.gov (United States)

    Kudla, Ch.; Blumenau, A. T.; Büllesfeld, F.; Dropka, N.; Frank-Rotsch, Ch.; Kiessling, F.; Klein, O.; Lange, P.; Miller, W.; Rehse, U.; Sahr, U.; Schellhorn, M.; Weidemann, G.; Ziem, M.; Bethin, G.; Fornari, R.; Müller, M.; Sprekels, J.; Trautmann, V.; Rudolph, P.

    2013-02-01

    For the first time a heater-magnet module (HMM), simultaneously generating heat and a traveling magnetic field (TMF), was constructed for an industrial scale G5 multi-crystalline Si crystallizer and extensively tested. Effective melt mixing and precise control of the interface shape have been demonstrated using TMF, which resulted in ingots exhibiting superior properties, clearly proving the beneficial effects of the advanced convection control without affecting the stability of the Si3N4 crucible coating. Hence, most of the solidified Si volume showed very homogeneous IR transmission without inclusions. Dislocation densities were relatively low and bunching was only rarely observed, resulting in overall high carrier lifetimes. Therefore, our results demonstrate that a HMM configuration in an industrial Si crystallizer may successfully accomplish the following tasks: (i) good thermal stability and controllability of the melt-solid interface morphology, (ii) suppression of second phase inclusions, such as SiC and Si3N4, by mastering the mixing of the melt during the whole crystallization process, and (iii) no pronounced interaction between melt and container wall.

  10. Crystal field analysis of the absorption spectra and electron phonon interaction in Ca3Sc2Ge3O12:Ni2+

    Science.gov (United States)

    Brik, M. G.

    2006-04-01

    Exchange charge model of crystal field [B.Z. Malkin, in: A.A. Kaplyanskii, B.M. Macfarlane (Eds.), Spectroscopy of Solids Containing Rare-earth Ions, North-Holland, Amsterdam, 1987, pp. 33 50.] was used to analyze the energy level schemes of Ni2+ ion at both possible positions (octahedral and tetrahedral) in Ca3Sc2Ge3O12. The crystal field parameters were calculated from the crystal structure data; the crystal field Hamiltonian was diagonalised in the complete basis consisting of 25 wave functions of all LS terms of the Ni2+ ion. Results of calculations are in a good agreement with experimental data. From the experimental spectra available in the literature, the Huang Rhys parameter S=3.5 and effective phonon energy ℏω=200cm were evaluated for the octahedral Ni2+ ion.

  11. Differential Phononic Crystal Sensor: Towards a Temperature Compensation Mechanism for Field Applications Development.

    Science.gov (United States)

    Villa-Arango, Simón; Betancur Sánchez, David; Torres, Róbinson; Kyriacou, Panayiotis; Lucklum, Ralf

    2017-08-25

    Phononic crystals are resonant structures with great potential to be implemented in applications as liquid sensors. The use of the symmetry reduction technique allows introducing relevant transmission features inside bandgaps by creating defect modes in a periodic regular structure. These features can be used as measures to quantify changes in the speed of sound of liquid samples that could be related to the concentration of analytes or the presence of pathogens among other interesting applications. In order to be able to implement this new technology in more challenging applications, such as biomedical applications, it is necessary to have a very precise and accurate measurement. Changes in temperature greatly affect the speed of sound of the liquid samples, causing errors in the measurements. This article presents a phononic crystal sensor that, by introducing additional defect modes, can carry out differential measurements as a temperature compensation mechanism. Theoretical studies using the transmission line model and analytes at various temperatures show that the proposed temperature compensation mechanism enhances the performance of the sensor in a significant way. This temperature compensation strategy could also be implemented in crystals with different topologies.

  12. A new perfluorinated peroxynitrate, CF{sub 3}CF{sub 2}CF{sub 2}CF{sub 2}OONO{sub 2}. Synthesis, characterization and atmospheric implications

    Energy Technology Data Exchange (ETDEWEB)

    Bossolasco, Adriana G.; Vila, Jesús A.; Burgos Paci, Maxi A.; Malanca, Fabio E., E-mail: fmalanca@fcq.unc.edu.ar; Argüello, Gustavo A.

    2014-09-30

    Highlights: • A new perfluoroalkyl peroxynitrate identified. • Its thermal stability and UV spectra has been studied. • First principles calculations were used to explore the ground state potential energy surface. • Comparison with shorter perfluoroalkyl peroxynitrates is presented. • Its lifetime is in agreement with the expected for similar peroxynitrates. - Abstract: CF{sub 3}CF{sub 2}CF{sub 2}CF{sub 2}OONO{sub 2} was synthesized from the photolysis of CF{sub 3}CF{sub 2}CF{sub 2}CF{sub 2}I, in presence of NO{sub 2} and O{sub 2}. Alkyl peroxynitrates (C{sub x}F{sub 2x+1}OONO{sub 2}) could be formed in the atmospheric degradation of chlorofluorocarbons, hydrofluorocarbons and hydrofluoroethers. We present here the synthesis and characterization (IR and UV absorption cross sections) of CF{sub 3}CF{sub 2}CF{sub 2}CF{sub 2}OONO{sub 2} and its comparison with those corresponding to other perfluoro alkyl peroxynitrates. The thermal stability was studied as a function of total pressure (from 9.0 to 417 mbar) and temperature (from 283 to 293 K) using infrared spectroscopy. Kinetic parameters measured for the thermal dissociation were E{sub a} = (81 ± 4) kJ/mol and A = 4.8 × 10{sup 12}. DFT calculations at the B3LYP/6-311+G{sup ∗} level were used to explore the ground state potential energy surface. Geometrical parameters, conformer populations and vibrational spectra are presented. The calculated activation energy was 81.3 kJ mol{sup −1} in excellent agreement with experimental results. Atmospheric implications are discussed.

  13. Structural analysis and crystal-field calculations of Nd3+ in GdxLu1-xTaO4 (x=0.85) polycrytalline

    Institute of Scientific and Technical Information of China (English)

    Gao Jin-Yun; Zhang Qing-Li; Yang Hua-Jun; Zhou Peng-Yu; Sun Dun-Lu; Yin Shao-Tang; He Ye

    2012-01-01

    The crystal structural parameters of Nd3+-doped rare earth orthotantalate GdxLul-xTaO4 (x =0.85) are determined by applying the Rietveld refinement to its X-ray diffraction,and its emission and excitation spectra at 77 K are analysed.The relativistic model of ab initio self-consistent DV-Xα method,which is applied to the cluster NdOs in GdxLu1-xTaO4,and the effective Hamiltonian model are used to investigate its spin-orbit and crystal-field parameters.The free-ions and crystal-field parameters are fitted to the experimental energy levels at 77 K with a root-mean-square deviation of 14.92 cm-1.According to the crystal-field calculations,96 levels of Nd3+ are assigned.Finally,the fitting results of free-ions and crystal-field parameters are compared with those already reported for Nd3+:YA1O3.The results indicate that the free-ion parameters are similar to those of the Nd3+ in GdxLu1-xTaO4 and YA1O3 hosts,and the crystal-field interaction of Nd3+ in GdxLu1-xTaO4 is stronger than that in YAlO3.

  14. Structural analysis and crystal-field calculations of Nd3+ in GdxLu1-xTaO4 (x = 0.85) polycrystalline

    Science.gov (United States)

    Gao, Jin-Yun; Zhang, Qing-Li; Yang, Hua-Jun; Zhou, Peng-Yu; Sun, Dun-Lu; Yin, Shao-Tang; He, Ye

    2012-10-01

    The crystal structural parameters of Nd3+-doped rare earth orthotantalate GdxLu1-xTaO4 (x = 0.85) are determined by applying the Rietveld refinement to its X-ray diffraction, and its emission and excitation spectra at 77 K are analysed. The relativistic model of ab initio self-consistent DV-Xα method, which is applied to the cluster NdO8 in GdxLu1-xTaO4, and the effective Hamiltonian model are used to investigate its spin—orbit and crystal-field parameters. The free-ions and crystal-field parameters are fitted to the experimental energy levels at 77 K with a root-mean-square deviation of 14.92 cm-1. According to the crystal-field calculations, 96 levels of Nd3+ are assigned. Finally, the fitting results of free-ions and crystal-field parameters are compared with those already reported for Nd3+:YAlO3. The results indicate that the free-ion parameters are similar to those of the Nd3+ in GdxLu1-xTaO4 and YAlO3 hosts, and the crystal-field interaction of Nd3+ in GdxLu1-xTaO4 is stronger than that in YAlO3.

  15. Occurrence of wide-chain Ca-pyriboles as primary crystals in the Salton Sea Geothermal Field, California, USA

    Science.gov (United States)

    Yau, Yu-Chyi; Peacor, Donald R.; Essene, Eric J.

    1986-09-01

    Amphiboles and pyroxenes occurring in the Salton Sea Geothermal Field were found to contain coherent intergrowths of chain silicates with other than double and single chain widths by using transmission and analytical electron microscopy. Both occur in the biotite zone at the temperature (depth) interval of 310° C (1,060 m) to 330° C (1,547m) which approximately corresponds to temperatures of the greenschist facies. The amphiboles occur as euhedral fibrous crystals occupying void space and are composed primarily of irregularly alternating (010) slabs of double or triple chains, with rare quadruple and quintuple chains. Primary crystallization from solution results in euhedral crystals. Clinopyroxenes formed mainly as a porefilling cement and subordinately as prismatic crystals coexisting with fibrous amphiboles. Fine lamellae of double and triple chains are irregularly intercalated with pyroxene. AEM analyses yield formulae (Ca1.8Mg2.9Fe1.9Mn0.1) Si8O21.8(OH)1.8 (310° C) and (Ca2.0Fe2.5Mg2.3) Si8O21.8 (OH)2.0 (330° C) for amphiboles and (Ca1.1Fe0.6Mg0.3) Si2O6 for clinopyroxene. Thermodynamic calculations at Pfluid=100 bar of equilibrium reactions of (1) 3 chlorite +10 calcite + 21 quartz = 3 actinolite + 2 clinozoisite + 8 H2O + 10 CO2 and (2) actinolite+ 3 calcite+ 2 quartz = 5 clinopyroxene + H2O + 3 CO2 using Mg-end member phases indicate that formation of amphibole and pyroxene require very water-rich conditions (X_{CO_2 } < 0.06) at temperatures below 330° C.

  16. Atmospheric chemistry of (CF3)2CFOCH3

    DEFF Research Database (Denmark)

    Andersen, Lene Løffler; Østerstrøm, Freja From; Nielsen, Ole John

    2014-01-01

    FTIR smog chamber techniques were used to measure k(Cl + (CF 3)2CFOCH3) = (1.80 ± 0.42) × 10-13, k(Cl + (CF3)2CFOCHO) = (1.47 ± 0.56) × 10-14, and k(OH + (CF3) 2CFOCH3) = (1.55 ± 0.24) × 10-14 cm3 molecule-1 s-1. The chlorine-atom initiated oxidation of (CF3)2CFOCH3 in air in the absence of NOX r...

  17. Atmospheric chemistry of CF3CH2CH2OH

    DEFF Research Database (Denmark)

    Hurley, Michael D.; Misner, Jessica A.; Ball, James C.

    2005-01-01

    Relative rate techniques were used to study the kinetics of the reactions of Cl atoms and OH radicals with CF3CH2C(O)H and CF3CH2CH2OH in 700 Torr of N-2 or air diluent at 296 2 K. The rate constants determined were k(Cl+CF3CH2C(O)H) = (1.81 +/- 0.27) x 10(-11), k(OH+CF3CH2C(O)H) = (2.57 +/- 0.44...

  18. Upper limits for the rate constants of the reactions of CF3O2 and CF3O radicals with ozone at 295 K

    DEFF Research Database (Denmark)

    Nielsen, O.J.; Sehested, J.

    1993-01-01

    Using the pulse radiolysis UV absorption technique and subsequent simulations of experimental absorption transients at 254 and 276 nm, upper limits of the rate constants for the reactions of CF3O2 and CF3O radicals with ozone were determined at 295 K, CF3O2+O3-->CF3O+2O2 (4), CF3O+O3-->CF3O2+O2 (......). The upper limits were derived as k4 ozone depletion by hydrofluorocarbons.......Using the pulse radiolysis UV absorption technique and subsequent simulations of experimental absorption transients at 254 and 276 nm, upper limits of the rate constants for the reactions of CF3O2 and CF3O radicals with ozone were determined at 295 K, CF3O2+O3-->CF3O+2O2 (4), CF3O+O3-->CF3O2+O2 (5...

  19. Influence of gas flow on thermal field and stress during growth of sapphire single crystal using Kyropoulos method

    Institute of Scientific and Technical Information of China (English)

    LI Jinquan; SU Xiaoping; NA Mujilatu; YANG Hai; LI Jianmin; YU Yunqi; MI Jianjun

    2006-01-01

    The professional modeling software package CrysVUn was employed to study the process of a large sapphire single crystal growth using Kyropoulos method.The influence of gas pressure on thermal field, solid-liquid interface shape, gas velocity field and von Mises stress were studied for the first time.It is found that the root of the seed melt when gas pressure equals to one atmosphere or more than one atmosphere, especially during the seeding period, this result is consistent with the experimental observation, and this paper presents three ways to solve this problem.The temperature gradient and stress decreases significantly as the gas pressure increases.The convexity of the solid-liquid interface slightly increases when the gas pressure increases.Numerical analysis was used to optimize the hot zone design.

  20. Effect of magnetic field on the spin-Peierls transition in single crystal CuGeO

    Institute of Scientific and Technical Information of China (English)

    Wang Qing-Bo; Xu Xiang-Fan; Tao Qian; Wang Hong-Tao; Xu Zhu-An

    2008-01-01

    This paper reports that high quality CuGeO3 single crystals were successfully grown by floating-zone technique and the magnetic property was studied.The temperature dependence of magnetic susceptibility below the spin-Peierls (SP)transition temperature(Tsp)under magnetic fields applying along both the a-and c-axis direction can be fitted well by a model of noninteracting dimmers.The spin gap derived from the fitting is consistent with other reports.There is a very weak anisotropy in the fitting parameters for different directions,which should be expected from a SP system.A small upturn in susceptibility at low temperature due to paramagnetic impurities and/or defects can be observed.A suppression of the upturn by magnetic field is first discovered in this system and the possible origins for this suppression are discussed.

  1. Phase diagrams of the spin-2 Ising model in the presence of a quenched diluted crystal field distribution

    Institute of Scientific and Technical Information of China (English)

    Ali Yigit; Erhan Albayrak

    2012-01-01

    We have investigated the random crystal field effects on the phase diagrams of the spin-2 Blume-Capel model for a honeycomb lattice using the effective-field theory with correlations.To do so,the thermal variations of magnetization are studied via calculating the phase diagrams of the model.We have found that the model displays both second-order and first-order phase transitions in addition to the tricritical and isolated points.Reentrant behavior is also observed for some appropriate values of certain system parameters.Besides the usual ground state phases of the spin-2 model including ±2,±1,and 0,we have also observed the phases ±3/2 and ±1/2,which are unusual for the spin-2 case.

  2. Phase-field-crystal investigation of the morphology of a steady-state dendrite tip on the atomic scale.

    Science.gov (United States)

    Tang, Sai; Wang, Jincheng; Li, Junjie; Wang, Zhijun; Guo, Yaolin; Guo, Can; Zhou, Yaohe

    2017-06-01

    Through phase-field-crystal (PFC) simulations, we investigated, on the atomic scale, the crucial role played by interface energy anisotropy and growth driving force during the morphological evolution of a dendrite tip at low growth driving force. In the layer-by-layer growth manner, the interface energy anisotropy drives the forefront of the dendrite tip to evolve to be highly similar to the corner of the corresponding equilibrium crystal from the aspects of atom configuration and morphology, and thus affects greatly the formation and growth of a steady-state dendrite tip. Meanwhile, the driving force substantially influences the part behind the forefront of the dendrite tip, rather than the forefront itself. However, as the driving force increases enough to change the layer-by-layer growth to the multilayer growth, the morphology of the dendrite tip's forefront is completely altered. Parabolic fitting of the dendrite tip reveals that an increase in the influence of interface energy anisotropy makes dendrite tips deviate increasingly from a parabolic shape. By quantifying the deviations under various interface energy anisotropies and growth driving forces, it is suggested that a perfect parabola is an asymptotic limit for the shape of the dendrite tips. Furthermore, the atomic scale description of the dendrite tip obtained in the PFC simulation is compatible with the mesoscopic results obtained in the phase-field simulation in terms of the dendrite tip's morphology and the stability criterion constant.

  3. First diffraction topographic results at a third generation synchrotron radiation facility: application to crystals under an electric field

    Energy Technology Data Exchange (ETDEWEB)

    Rejmankova, P. [European Synchrotron Radiation Facility, BP 220, 38043 Grenoble Cedex (France); Baruchel, J. [European Synchrotron Radiation Facility, BP 220, 38043 Grenoble Cedex (France)

    1995-05-01

    Diffraction topographic techniques allow the observation of inhomogeneities (defects, domains,..) within a single crystal. The unique capabilities of third generation synchrotron radiation facilities, like the ESRF, add new possibilities to these techniques: (1) the exposure time to record a topograph can be reduced to similar 10{sup -2} s, i.e. a factor 10{sup 2}-10{sup 3} below the present standards; (2) an improved resolution associated with the small source size, even when setting the film far ( similar 60 cm) from the sample, allows the size of the sample environment devices to be increased; (3) high sensitivity to small ({>=}10{sup -7}) distortions (misorientations and/or lattice parameter variations); (4) investigation of thick or heavy materials, which were up to now the exclusive field of neutron diffraction. We briefly describe the future Topography and High Resolution Diffraction beamline ID 19, which is designed to optimize the required experimental conditions, and which will be operational at the end of 1995. The first topographic white beam experiments which illustrate these new possibilities were carried out on two (ID11 and D5) of the presently operational beamlines of the ESRF. In this work, particular attention is dedicated to observations performed on crystals under an electric field ({alpha}-LiIO{sub 3}, KTP, LiNbO{sub 3}). Very interesting and encouraging results were obtained, particularly when using ``section`` topography. (orig.).

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

    Science.gov (United States)

    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 TNK . 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.

  5. Phase-field-crystal investigation of the morphology of a steady-state dendrite tip on the atomic scale

    Science.gov (United States)

    Tang, Sai; Wang, Jincheng; Li, Junjie; Wang, Zhijun; Guo, Yaolin; Guo, Can; Zhou, Yaohe

    2017-06-01

    Through phase-field-crystal (PFC) simulations, we investigated, on the atomic scale, the crucial role played by interface energy anisotropy and growth driving force during the morphological evolution of a dendrite tip at low growth driving force. In the layer-by-layer growth manner, the interface energy anisotropy drives the forefront of the dendrite tip to evolve to be highly similar to the corner of the corresponding equilibrium crystal from the aspects of atom configuration and morphology, and thus affects greatly the formation and growth of a steady-state dendrite tip. Meanwhile, the driving force substantially influences the part behind the forefront of the dendrite tip, rather than the forefront itself. However, as the driving force increases enough to change the layer-by-layer growth to the multilayer growth, the morphology of the dendrite tip's forefront is completely altered. Parabolic fitting of the dendrite tip reveals that an increase in the influence of interface energy anisotropy makes dendrite tips deviate increasingly from a parabolic shape. By quantifying the deviations under various interface energy anisotropies and growth driving forces, it is suggested that a perfect parabola is an asymptotic limit for the shape of the dendrite tips. Furthermore, the atomic scale description of the dendrite tip obtained in the PFC simulation is compatible with the mesoscopic results obtained in the phase-field simulation in terms of the dendrite tip's morphology and the stability criterion constant.

  6. XPS Observations of Crystal Field Splitting in TiO2 Thin Films in Quantum Confinement Approach

    Science.gov (United States)

    Sushkova, Natalya

    2015-03-01

    Transition metal oxides attract increased interest due to amazing electrical and magnetic properties and their outstanding applications designated by relative d-band redistributions that are shifted in such a way that narrow bands arranged by localized electrons are situated in the vicinity of EF. Different kinds of lattice distortions caused by doping and/or quantum size confinement of TM oxides are assigned to remarkable phenomenon Mott metal-insulator transitions, when mutual metal-oxide orbital arrangement changes dramatically. There is a widespread consensus that strong electron correlations are responsible for that change and magnetic excitation is one of manifestations of these correlations. Here we are presenting XPS study of titanium dioxide nanocrystal formations on silicon substrate with native oxide. The dynamic changes in XPS spectra were used for analysis of TiO2 thin films with mass thicknesses up to 2 monolayers formed by redox reactions of sputtered Ti on Si(100) substrate with native oxide implemented in situ under UHV conditions. XPS spectra evolution, as a traditional source of information on phase composition, was complemented by the possibility to estimate the morphology and crystal field splitting of formed precipitates. Intensity fluctuations observed for O1s, Si 2p, Ti2p spectra were accompanied by crystal field splitting in Ti2p and on second derivatives of O1s. These fluctuations were followed by noticeable changes in the vicinity of band gap indicating possible Mott metal-insulator transitions.

  7. Terahertz-field-induced second harmonic generation through Pockels effect in zinc telluride crystal.

    Science.gov (United States)

    Cornet, Marion; Degert, Jérôme; Abraham, Emmanuel; Freysz, Eric

    2014-10-15

    We report on the second harmonic generation (SHG) of a near-infrared pulse in a zinc telluride crystal through the Pockels effect induced by an intense terahertz pulse. The temporal and angular behaviors of the SHG have been measured and agree well with theoretical predictions. This phenomenon, so far overlooked, makes it possible to generate second harmonic through cascading of two second-order nonlinear phenomena in the near-infrared and terahertz ranges. We also show how this cascading process can be used to sample terahertz pulses.

  8. Parameters for efficient growth of second harmonic field in nonlinear photonic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Joseph, Shereena, E-mail: sherin5462@gmail.com; Khan, Mohd. Shahid; Hafiz, Aurangzeb Khurram

    2014-03-01

    The ultrashort pulse propagation and nonlinear second harmonic generation under the undepleted pump approximation in a quadratic nonlinear photonic crystal (NPC) structure is theoretically investigated and the optimized parameters for high second harmonic generation conversion efficiency are extracted. The transfer matrix method is used for the numerical formulation for oblique angle of incidence. A unique set of material combination GaInP/InAlP is selected as alternating nonlinear and linear layers. The NPC parameters like incident angle and layer thickness are manipulated to obtain the exact phase matching using double resonance condition for a fixed number of layers with known experimental material parameters.

  9. Brief Introduction of LOW/CF-Silo Control%LOW/CF-SILO控制简介

    Institute of Scientific and Technical Information of China (English)

    高永华; 王晋举

    2001-01-01

    @@埃塞俄比亚麦塞博水泥厂的生料储库采用了史密斯公司设计的CF型库,用于均化和储存生料粉,并通过库底的卸料装置向水泥窑系统实施连续喂料,与之配套的控制系统叫做LOW/CF-Silo失重连续喂料控制系统。1 系统概述LOW/CF-Silo控制系统由两部分组成,即连续流量CF-Silo(Continuous Flow)控制系统和失重喂料LOW(Loss of Weight)控制系统(图1)。1.1 LOW/CF-Silo控制系统的组成1个电动翻板阀;1套称重设备(包括3台申克称重传感器);4台恒压器;2个音叉料位计;2台气动截止阀;2台电动流量调节阀;56个电磁阀;7个接近开关;2台控制箱(箱内各装有1台LOW控制器);1台控制柜(柜内装有1台PLC5-80E控制器)。

  10. Electrical Impact of SiC Structural Crystal Defects on High Electric Field Devices

    Science.gov (United States)

    Neudeck, Philip G.

    1999-01-01

    Commercial epilayers are known to contain a variety of crystallographic imperfections. including micropipes, closed core screw dislocations. low-angle boundaries, basal plane dislocations, heteropolytypic inclusions, and non-ideal surface features like step bunching and pits. This paper reviews the limited present understanding of the operational impact of various crystal defects on SiC electrical devices. Aside from micropipes and triangular inclusions whose densities have been shrinking towards manageably small values in recent years, many of these defects appear to have little adverse operational and/or yield impact on SiC-based sensors, high-frequency RF, and signal conditioning electronics. However high-power switching devices used in power management and distribution circuits have historically (in silicon experience) demanded the highest material quality for prolonged safe operation, and are thus more susceptible to operational reliability problems that arise from electrical property nonuniformities likely to occur at extended crystal defects. A particular emphasis is placed on the impact of closed-core screw dislocations on high-power switching devices, because these difficult to observe defects are present in densities of thousands per cm,in commercial SiC epilayers. and their reduction to acceptable levels seems the most problematic at the present time.

  11. The luminosity function for different morphological types in the CfA Redshift Survey

    Science.gov (United States)

    Marzke, Ronald O.; Geller, Margaret J.; Huchra, John P.; Corwin, Harold G., Jr.

    1994-01-01

    We derive the luminosity function for different morphological types in the original CfA Redshift Survey (CfA1) and in the first two slices of the CfA Redshift Survey Extension (CfA2). CfA1 is a complete sample containing 2397 galaxies distributed over 2.7 steradians with m(sub z) less than or equal 14.5. The first two complete slices of CfA2 contain 1862 galaxies distributed over 0.42 steradians with m(sub z)=15.5. The shapes of the E-S0 and spiral luminosity functions (LF) are indistinguishable. We do not confirm the steeply decreasing faint end in the E-S0 luminosity function found by Loveday et al. for an independent sample in the southern hemisphere. We demonstrate that incomplete classification in deep redshift surveys can lead to underestimates of the faint end of the elliptical luminosity function and could be partially responsible for the difference between the CfA survey and other local field surveys. The faint end of the LF for the Magellanic spirals and irregulars is very steep. The Sm-Im luminosity function is well fit by a Schechter function with M*=-18.79, alpha=-1.87, and phi*=0.6x10(exp -3) for M(sub z) less than or equal to -13. These galaxies are largely responsible for the excess at the faint end of the general CfA luminosity function. The abundance of intrinsically faint, blue galaxies nearby affects the interpretation of deep number counts. The dwarf population increases the expected counts at B=25 in a no-evolution, q(sub 0)=0.05 model by a factor of two over standard no-evolution estimates. These dwarfs change the expected median redshift in deep redshift surveys by less than 10 percent . Thus the steep Sm-Im LF may contribute to the reconciliation of deep number counts with deep redshift surveys.

  12. Studies of the optical spectra and spin-Hamiltonian parameters for the trivalent ytterbium ions in lithium yttrium fluoride crystals

    Science.gov (United States)

    Feng, W. L.; Han, Z.; Zhong, Y. C.

    In this paper, the crystal field (CF) levels and spin-Hamiltonian (SH) parameters (g factors g∥ and g⊥ and hyperfine structure constants A∥ and A⊥) of the rare-earth ion Yb3+ in lithium yttrium fluoride crystals are calculated under D2d point symmetry assumption. Two main methods are used in the calculation to study the SH parameters: one is the perturbation theory method and the other is the complete diagonalization (energy matrix) method (CDM). Comparing the calculated results with the experimental data, we can see that the CDM is more effective to calculate the SH parameters. In addition, the CF J-mixing of all excited-state multiplets into the ground-state multiplet 2F7/2 is considered. The validity of the calculated results is discussed.

  13. Colloidal Stability and Magnetic Field-Induced Ordering of Magnetorheological Fluids Studied with a Quartz Crystal Microbalance

    Directory of Open Access Journals (Sweden)

    Jaime Rodriguez-López

    2015-12-01

    Full Text Available This work proposes the use of quartz crystal microbalances (QCMs as a method to analyze and characterize magnetorheological (MR fluids. QCM devices are sensitive to changes in mass, surface interactions, and viscoelastic properties of the medium contacting its surface. These features make the QCM suitable to study MR fluids and their response to variable environmental conditions. MR fluids change their structure and viscoelastic properties under the action of an external magnetic field, this change being determined by the particle volume fraction, the magnetic field strength, and the presence of thixotropic agents among other factors. In this work, the measurement of the resonance parameters (resonance frequency and dissipation factor of a QCM are used to analyze the behavior of MR fluids in static conditions (that is, in the absence of external mechanical stresses. The influence of sedimentation under gravity and the application of magnetic fields on the shifts of resonance frequency and dissipation factor were measured and discussed in the frame of the coupled resonance produced by particles touching the QCM surface. Furthermore, the MR-fluid/QCM system has a great potential for the study of high-frequency contact mechanics because the translational and rotational stiffness of the link between the surface and the particles can be tuned by the magnetic field.

  14. Multicenter intestinal current measurements in rectal biopsies from CF and non-CF subjects to monitor CFTR function.

    Directory of Open Access Journals (Sweden)

    John P Clancy

    Full Text Available Intestinal current measurements (ICM from rectal biopsies are a sensitive means to detect cystic fibrosis transmembrane conductance regulator (CFTR function, but have not been optimized for multicenter use. We piloted multicenter standard operating procedures (SOPs to detect CFTR activity by ICM and examined key questions for use in clinical trials. SOPs for ICM using human rectal biopsies were developed across three centers and used to characterize ion transport from non-CF and CF subjects (two severe CFTR mutations. All data were centrally evaluated by a blinded interpreter. SOPs were then used across four centers to examine the effect of cold storage on CFTR currents and compare CFTR currents in biopsies from one subject studied simultaneously either at two sites (24 hours post-biopsy or when biopsies were obtained by either forceps or suction. Rectal biopsies from 44 non-CF and 17 CF subjects were analyzed. Mean differences (µA/cm(2; 95% confidence intervals between CF and non-CF were forskolin/IBMX=102.6(128.0 to 81.1, carbachol=96.3(118.7 to 73.9, forskolin/IBMX+carbachol=200.9(243.1 to 158.6, and bumetanide=-44.6 (-33.7 to -55.6 (P<0.005, CF vs non-CF for all parameters. Receiver Operating Characteristic curves indicated that each parameter discriminated CF from non-CF subjects (area under the curve of 0.94-0.98. CFTR dependent currents following 18-24 hours of cold storage for forskolin/IBMX, carbachol, and forskolin/IBMX+carbachol stimulation (n=17 non-CF subjects were 44%, 47.5%, and 47.3%, respectively of those in fresh biopsies. CFTR-dependent currents from biopsies studied after cold storage at two sites simultaneously demonstrated moderate correlation (n=14 non-CF subjects, Pearson correlation coefficients 0.389, 0.484, and 0.533. Similar CFTR dependent currents were detected from fresh biopsies obtained by either forceps or suction (within-subject comparisons, n=22 biopsies from three non-CF subjects. Multicenter ICM is a

  15. Experimental study on dilution effect of all halogenated hydrocarbon CF3I and CF4%全卤代烃CF3I和CF4的阻燃能力实验

    Institute of Scientific and Technical Information of China (English)

    孙尔雁; 李振明; 公茂琼; 吴剑峰

    2011-01-01

    The flammability limits of several refrigerant mixtures containing CF3I or CF4 as the retardant in air were measured at atmospheric pressure and ambient temperature, the data curves and data tables were mapped. Compared with the literatures, the dilution effect of CF3I or CF4 is better than the hydrogen halogenated hydrocarbons (e. g. R134,R134a and R125) and the inert gases (e. g. N2 and CO2). The lower flammability limits of the flammable refrigerant mixtures increase as the molar ratio of nonflammable component (e. g. CF3I, CF4 ) to flammable component increase, while the upper flammability limits decrease. The special dilution effect of all halogenated hydrocarbon( e. g. CF3I,CF4 ) will improve the flammable refrigerants security significantly.%实验测量了多组含CF3I或CF4的制冷剂混合物的爆炸极限,绘制了爆炸极限数据曲线和数据表格,确定了不同摩尔比例制冷剂混合物的爆炸三角区和临界爆炸比.参照文献中已得出的部分实验结论,通过分析比较得出全卤代烃CF3I和CF4比N2、CO2等"惰性气体"以及含氢卤代烃R134、R134a、R125等更能有效抑制可燃制冷剂的燃爆性.此外,全卤代烃CF3I和CF4不同于惰性气体和含氢卤代烃,能够提高可燃制冷剂混合物爆炸下限,这个特点对于改善可燃制冷剂安全性有实际意义.

  16. Dielectric properties of KDP-type ferroelectric crystals in the presence of external electric field

    Indian Academy of Sciences (India)

    Trilok Chandra Upadhyay; Ramendra Singh Bhandari; Birendra Singh Semwal

    2006-09-01

    Considering external electric field as well as third- and fourth-order phonon anharmonic interaction terms in the pseudospin-lattice coupled mode (PLCM) model Hamiltonian for KDP-type ferroelectrics, expressions for field-dependent shift, width, renormalized soft mode frequency, Curie temperature, dielectric constant and dielectric loss are evaluated. For the calculation, method of statistical double-time temperature-dependent Green's function has been used. By fitting model values of physical quantities, temperature and electric field dependences of soft mode frequency, dielectric constant and loss have been calculated which compare well with experimental results of Baumgartner [8] and Choi and Lockwood [9]. Both dielectric constant and loss decrease with electric field.

  17. On the stable discretization of strongly anisotropic phase field models with applications to crystal growth

    CERN Document Server

    Barrett, John W; Nürnberg, Robert

    2012-01-01

    We introduce unconditionally stable finite element approximations for anisotropic Allen--Cahn and Cahn--Hilliard equations. These equations frequently feature in phase field models that appear in materials science. On introducing the novel fully practical finite element approximations we prove their stability and demonstrate their applicability with some numerical results. We dedicate this article to the memory of our colleague and friend Christof Eck (1968--2011) in recognition of his fundamental contributions to phase field models.

  18. Extended parametric gain range in photonic crystal fibers with strongly frequency-dependent field distributions.

    Science.gov (United States)

    Petersen, Sidsel R; Alkeskjold, Thomas T; Olausson, Christina B; Lægsgaard, Jesper

    2014-08-15

    The parametric gain range of a degenerate four-wave mixing process is determined in the undepleted pump regime. The gain range is considered with and without taking the mode field distributions of the four-wave mixing components into account. It is found that the mode field distributions have to be included to evaluate the parametric gain correctly in dispersion-tailored speciality fibers and that mode profile engineering can provide a way to increase the parametric gain range.

  19. Sources and sinks of CF and CF{sub 2} in a cc-RF CF{sub 4}-plasma under various conditions

    Energy Technology Data Exchange (ETDEWEB)

    Fendel, Peter; Francis, Anne; Czarnetzki, Uwe [University of Essen, 45141 Essen (Germany)

    2005-02-01

    In an asymmetric capacitively coupled radio-frequency (cc-RF) CF{sub 4} plasma, the radical densities of CF and CF{sub 2} were measured using laser-induced fluorescence spectroscopy. From the spatially (along the symmetry axis) and temporally (after switching off the discharge) resolved data, the source distribution and the sticking coefficients are inferred. We present results for three different electrode materials (stainless steel, aluminium and silicon). According to our data, the strength and the position of the sources depend strongly on the electrode material and the applied voltage. While the CF-sources are in the sheath in front of the powered electrode for stainless steel, they are on the surface of the powered electrode in the case of aluminium. By using a simple diffusion model for the analysis of the afterglow data, it can be shown that CF{sub 2} is destroyed exclusively at the walls and the decay time is determined by diffusion and sticking only. In contrast, for CF, surface as well as volume losses due to chemical reactions are important.

  20. Crystal field properties of Yb2Ti2O7. [Eigenfunctions, quadrupole interactions

    Energy Technology Data Exchange (ETDEWEB)

    Dunlap, B. D.; Shenoy, G. K.; Friedt, J. M.; Meyer, M.; McCarthy, G. J.

    1977-01-01

    Electronic properties of Yb/sup 3 +/ in Yb/sub 2/Ti/sub 2/O/sub 7/ were investigated using the 84.6 keV Mossbauer transition in /sup 170/Yb. The crystal field parameters were deduced by analyzing spectra taken in various externally applied magnetic fields up to 32 kG at temperatures of 4.2 K and 1.6 K. Because of the hexagonal point symmetry at the Yb ion, the crystal field levels are sensitive to the direction of the applied field relative to the c axis. As a result, a proper discussion of the field and temperature dependence of the hyperfine parameters is not possible for a powder sample without a careful average over angles. Such an analysis then yields a value for the crystal field parameter B/sub 2//sup 0/ in the range 15 to 21 K and B/sup 0//sub 4//B/sup 0//sub 2/ approximately equal 0.01. These parameters and the resulting crystal field eigenfunctions were used to explain the small quadrupole interaction present in this material.