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Sample records for lattices crystal

  1. Optical spectra and lattice dynamics of molecular crystals

    CERN Document Server

    Zhizhin, GN

    1995-01-01

    The current volume is a single topic volume on the optical spectra and lattice dynamics of molecular crystals. The book is divided into two parts. Part I covers both the theoretical and experimental investigations of organic crystals. Part II deals with the investigation of the structure, phase transitions and reorientational motion of molecules in organic crystals. In addition appendices are given which provide the parameters for the calculation of the lattice dynamics of molecular crystals, procedures for the calculation of frequency eigenvectors of utilizing computers, and the frequencies and eigenvectors of lattice modes for several organic crystals. Quite a large amount of Russian literature is cited, some of which has previously not been available to scientists in the West.

  2. Partial rotational lattice order–disorder in stefin B crystals

    International Nuclear Information System (INIS)

    Renko, Miha; Taler-Verčič, Ajda; Mihelič, Marko; Žerovnik, Eva; Turk, Dušan

    2014-01-01

    Crystal lattice disorders are a phenomenon which may hamper the determination of macromolecular crystal structures. Using the case of the crystal structure of stefin B, identification of rotational order–disorder and structure determination are described. At present, the determination of crystal structures from data that have been acquired from twinned crystals is routine; however, with the increasing number of crystal structures additional crystal lattice disorders are being discovered. Here, a previously undescribed partial rotational order–disorder that has been observed in crystals of stefin B is described. The diffraction images revealed normal diffraction patterns that result from a regular crystal lattice. The data could be processed in space groups I4 and I422, yet one crystal exhibited a notable rejection rate in the higher symmetry space group. An explanation for this behaviour was found once the crystal structures had been solved and refined and the electron-density maps had been inspected. The lattice of stefin B crystals is composed of five tetramer layers: four well ordered layers which are followed by an additional layer of alternatively placed tetramers. The presence of alternative positions was revealed by the inspection of electron-density score maps. The well ordered layers correspond to the crystal symmetry of space group I422. In addition, the positions of the molecules in the additional layer are related by twofold rotational axes which correspond to space group I422; however, these molecules lie on the twofold axis and can only be related in a statistical manner. When the occupancies of alternate positions and overlapping are equal, the crystal lattice indeed fulfills the criteria of space group I422; when these occupancies are not equal, the lattice only fulfills the criteria of space group I4

  3. Coefficient of crystal lattice matching as a parameter of substrate - crystal structure compatibility in silumins

    Directory of Open Access Journals (Sweden)

    J. Piątkowski

    2009-07-01

    Full Text Available Adding high-melting point elements (Mo, Nb, Ni, Ti, W to complex silumins results in hardening of the latter ones, owing to the formation of new intermetallic phases of the AlxMey type, with refinement of dendrites in α solution and crystals in β phase. The hardening is also due to the effect of various inoculants. An addition of the inoculant is expected to form substrates, the crystal lattice of which, or some (privileged lattice planes and interatomic spaces should bear a strong resemblance to the crystal nucleus. To verify this statement, using binary phase equilibria systems, the coefficient of crystal lattice matching, being one of the measures of the crystallographic similarity, was calculated. A compatibility of this parameter (up to 20% may decide about the structure compatibility between the substrate and crystal which, in turn, is responsible for the effectiveness of alloy modification. Investigations have proved that, given the temperature range of their formation, the density, the lattice type, and the lattice parameter, some intermetallic phases of the AlxMey type can act as substrates for the crystallisation of aluminium and silicon, and some of the silumin hardening phases.

  4. Common misconceptions about the dynamical theory of crystal lattices: Cauchy relations, lattice potentials and infinite crystals

    International Nuclear Information System (INIS)

    Elcoro, Luis; Etxebarria, Jesus

    2011-01-01

    The requirement of rotational invariance for lattice potential energies is investigated. Starting from this condition, it is shown that the Cauchy relations for the elastic constants are fulfilled if the lattice potential is built from pair interactions or when the first-neighbour approximation is adopted. This is seldom recognized in widely used solid-state textbooks. Frequently, pair interaction is even considered to be the most general situation. In addition, it is shown that the demand of rotational invariance in an infinite crystal leads to inconsistencies in the symmetry of the elastic tensor. However, for finite crystals, no problems arise, and the Huang conditions are deduced using exclusively a microscopic approach for the elasticity theory, without making any reference to macroscopic parameters. This work may be useful in both undergraduate and graduate level courses to point out the crudeness of the pair-potential interaction and to explore the limits of the infinite-crystal approximation.

  5. Quantum concept of the rearrangement of a crystal lattice

    International Nuclear Information System (INIS)

    Gureev, M.D.; Mednikov, S.I.

    1995-01-01

    Using quantum considerations based on the concept of lattice rearrangement waves, we carried out an analysis of processes of rearrangement of a crystal lattice occurring on a moving front (interface) of crystal rearrangement. For the introduction and quantization of these waves we use the method of acoustomechanical analogy and the Sommerfeld quantum conditions. We calculate the energies and the propagation velocities of the lattice rearrangement waves. Along with quanta having a certain momentum, quanta that have a certain angular momentum are introduced into consideration. On the basis of the concepts developed, we suggest a new expression for calculating the probability of thermofluctuational processes in a crystal. We perform a numerical analysis of the rate of growth of the γ-phase in iron in the process of α-γ-conversion. Satisfactory agreement with experiment is obtained. We discuss the limitations and prospects of further development of the concept suggested. For direct experimental verification of the concept we propose to investigate the diffraction of electrons and other particles on the lattice rearrangement waves, i.e., in the process of phase conversions or disintegration of crystals

  6. A novel lattice energy calculation technique for simple inorganic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kaya, Cemal [Department of Chemistry, Faculty of Science, Cumhuriyet University, 58140 Sivas (Turkey); Kaya, Savaş, E-mail: savaskaya@cumhuriyet.edu.tr [Department of Chemistry, Faculty of Science, Cumhuriyet University, 58140 Sivas (Turkey); Banerjee, Priyabrata [Surface Engineering and Tribology Group, CSIR-Central Mechanical Engineering Research Institute, Mahatma Gandhi Avenue, Durgapur 713209 (India)

    2017-01-01

    In this pure theoretical study, a hitherto unexplored equation based on Shannon radii of the ions forming that crystal and chemical hardness of any crystal to calculate the lattice energies of simple inorganic ionic crystals has been presented. To prove the credibility of this equation, the results of the equation have been compared with experimental outcome obtained from Born-Fajans-Haber- cycle which is fundamentally enthalpy-based thermochemical cycle and prevalent theoretical approaches proposed for the calculation of lattice energies of ionic compounds. The results obtained and the comparisons made have demonstrated that the new equation is more useful compared to other theoretical approaches and allows to exceptionally accurate calculation of lattice energies of inorganic ionic crystals without doing any complex calculations.

  7. Lattice dynamics of ionic crystals

    International Nuclear Information System (INIS)

    Mahan, G.D.

    1990-01-01

    The theory of lattice dynamics for ionic and rare-gas crystals is derived in the harmonic approximation. We start from a Hamiltonian and average over electron coordinates in order to obtain an effective interaction between ion displacements. We assume that electronic excitations are localized on a single ion, which limits the theory to ionic crystals. The deformation-dipole model and the indirect-ionic-interaction model are derived. These two contributions are closely linked, and together provide an accurate description of short-range forces

  8. Lattice location of gold in natural pyrite crystals

    International Nuclear Information System (INIS)

    Besten, Jacinta den; Jamieson, David N.; Ryan, Chris G.

    1999-01-01

    The lattice location of gold atoms in naturally occurring Au-doped pyrite crystals has been investigated with a nuclear microprobe using ion channeling. The specimens consisted of 300-μm diameter pyrite crystals in veins embedded in a quartz matrix from the Emperor mine in Fiji. The specimens were prepared by standard geological specimen preparation techniques and the pyrite crystals were analysed in situ in the quartz matrix. Significant trace elements in the crystals, determined by Proton Induced X-ray Emission with a 3 MeV H + microprobe, were Cu, As, Mo, Zn, Te, Au and Pb. The Au concentration was about 0.2 wt%. By the use of 2 MeV He + ion channeling, the Miller indices of the lowest order crystal axes nearest to the normal were determined from backscattering yield maps from two-dimensional angular scanning and comparison of the resulting patterns with published gnomonic projections. Channeling angular yield curves were obtained from Fe, S, As and Au signals. The results indicate that at least 35% of the Au is substituted onto lattice sites

  9. Impact of Heterogeneity and Lattice Bond Strength on DNA Triangle Crystal Growth.

    Science.gov (United States)

    Stahl, Evi; Praetorius, Florian; de Oliveira Mann, Carina C; Hopfner, Karl-Peter; Dietz, Hendrik

    2016-09-07

    One key goal of DNA nanotechnology is the bottom-up construction of macroscopic crystalline materials. Beyond applications in fields such as photonics or plasmonics, DNA-based crystal matrices could possibly facilitate the diffraction-based structural analysis of guest molecules. Seeman and co-workers reported in 2009 the first designed crystal matrices based on a 38 kDa DNA triangle that was composed of seven chains. The crystal lattice was stabilized, unprecedentedly, by Watson-Crick base pairing. However, 3D crystallization of larger designed DNA objects that include more chains such as DNA origami remains an unsolved problem. Larger objects would offer more degrees of freedom and design options with respect to tailoring lattice geometry and for positioning other objects within a crystal lattice. The greater rigidity of multilayer DNA origami could also positively influence the diffractive properties of crystals composed of such particles. Here, we rationally explore the role of heterogeneity and Watson-Crick interaction strengths in crystal growth using 40 variants of the original DNA triangle as model multichain objects. Crystal growth of the triangle was remarkably robust despite massive chemical, geometrical, and thermodynamical sample heterogeneity that we introduced, but the crystal growth sensitively depended on the sequences of base pairs next to the Watson-Crick sticky ends of the triangle. Our results point to weak lattice interactions and high concentrations as decisive factors for achieving productive crystallization, while sample heterogeneity and impurities played a minor role.

  10. Enhancement of polymer dye lasers by multifunctional photonic crystal lattice

    DEFF Research Database (Denmark)

    Christiansen, Mads Brøkner; Xiao, Sanshui; Mortensen, Asger

    2009-01-01

    The light output of dye doped hybrid polymer band-edge lasers is increased more than 100 times by using a rectangular lattice photonic crystal, which provides both feedback and couples more pump light into the laser.......The light output of dye doped hybrid polymer band-edge lasers is increased more than 100 times by using a rectangular lattice photonic crystal, which provides both feedback and couples more pump light into the laser....

  11. Phonon-enhanced crystal growth and lattice healing

    Science.gov (United States)

    Buonassisi, Anthony; Bertoni, Mariana; Newman, Bonna

    2013-05-28

    A system for modifying dislocation distributions in semiconductor materials is provided. The system includes one or more vibrational sources for producing at least one excitation of vibrational mode having phonon frequencies so as to enhance dislocation motion through a crystal lattice.

  12. Photonic Crystal Waveguides in Triangular Lattice of Nanopillars

    DEFF Research Database (Denmark)

    Chigrin, Dmitry N.; Lavrinenko, Andrei

    2004-01-01

    Photonic nanopillars waveguides have been analysed. Dielectric nanopillars are arranged in such way that they from a tringular lattice of 2D photonic crystal. Dispersion of the modes depends on the direction of the triangular lattice, Ã-J or Ã-X, in which nanopillars arrays are extended. Light fi....... Transmission spectra calculated by FDTD method completely reflect peculiarities of modes dispersion, showing up to 80% transmission for a realistic SOI nanopillar structure....

  13. Lattice effects in YVO3 single crystal

    NARCIS (Netherlands)

    Marquina, C; Sikora, M; Ibarra, MR; Nugroho, AA; Palstra, TTM

    In this paper we report on the lattice effects in the Mott insulator yttrium orthovanadate (YVO3). Linear thermal expansion and magnetostriction experiments have been performed on a single crystal, in the temperature range from 5 K to room temperature. The YVO3 orders antiferromagnetically at T-N =

  14. Lattice dynamics and thermal diffuse scattering for molecular crystals

    International Nuclear Information System (INIS)

    Kroon, P.A.

    1977-01-01

    Thermal diffuse scattering (TDS) corrections on the observed reflection intensities in the accurate determination of crystal structures by X-ray diffraction are emphasized. A lattice-dynamical model and procedure for lattice-dynamical calculations are set up. Expression for first- and second-order TDS intensity distributions are derived. A comparison with other models is made. First-order TDS corrections for naphtalene at 100 K are presented

  15. Atomic lattice excitons: from condensates to crystals

    International Nuclear Information System (INIS)

    Kantian, A; Daley, A J; Toermae, P; Zoller, P

    2007-01-01

    We discuss atomic lattice excitons (ALEs), bound particle-hole pairs formed by fermionic atoms in two bands of an optical lattice. Such a system provides a clean set-up, with tunable masses and interactions, to study fundamental properties of excitons including exciton condensation. We also find that for a large effective mass ratio between particles and holes, effective long-range interactions can mediate the formation of an exciton crystal, for which superfluidity is suppressed. Using a combination of mean-field treatments, bosonized theory based on a Born-Oppenheimer approximation, and one-dimensional (1D) numerical computation, we discuss the properties of ALEs under varying conditions, and discuss in particular their preparation and measurement

  16. Atomic lattice excitons: from condensates to crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kantian, A [Institute for Quantum Optics and Quantum Information of the Austrian Academy of Sciences, A-6020 Innsbruck (Austria); Daley, A J [Institute for Quantum Optics and Quantum Information of the Austrian Academy of Sciences, A-6020 Innsbruck (Austria); Toermae, P [Nanoscience Center, Department of Physics, University of Jyvaeskylae, PO Box 35, FIN-40014 (Finland); Zoller, P [Institute for Quantum Optics and Quantum Information of the Austrian Academy of Sciences, A-6020 Innsbruck (Austria)

    2007-11-15

    We discuss atomic lattice excitons (ALEs), bound particle-hole pairs formed by fermionic atoms in two bands of an optical lattice. Such a system provides a clean set-up, with tunable masses and interactions, to study fundamental properties of excitons including exciton condensation. We also find that for a large effective mass ratio between particles and holes, effective long-range interactions can mediate the formation of an exciton crystal, for which superfluidity is suppressed. Using a combination of mean-field treatments, bosonized theory based on a Born-Oppenheimer approximation, and one-dimensional (1D) numerical computation, we discuss the properties of ALEs under varying conditions, and discuss in particular their preparation and measurement.

  17. Investigation the effect of lattice angle on the band gap width in 3D phononic crystals with rhombohedral(I) lattice

    Science.gov (United States)

    Salehi, H.; Aryadoust, M.; Shoushtari, M. Zargar

    2014-07-01

    In this paper, the propagation of acoustic waves in the phononic crystal of 3D with rhombohedral(I) lattice is studied theoretically. The crystal composite constituted of nickel spheres embedded in epoxy. The calculations of the band structure and density of states are performed with the plane wave expansion method in the irreducible part of Brillouin zone. In the present work, we have investigated the effect of lattice angle on the band structure and width of the band gap rhombohedral(I) lattice in the irreducible part of the first Brillouin zone and its planes separately. The results show that more than one complete band gape are formed in the four planes of the irreducible part. The most complete band gaps are formed in the (111) plane and the widest complete band gap in (443) with an angle greater than 80. So, if the sound passes through the (111) and (443) planes for the lattice angle close to 90, the crystal phononic displays the excellent insulation behavior. Moreover, in the other planes, the lattice angle does not affect on the width and the number of band gaps. Also, for the filling fraction 5 %, the widest complete band gap is formed. These results are consistent with the effect of symmetry on the band gap width, because the (111) plane has the most symmetry.

  18. Band structures of phononic crystal composed of lattices with different periodic constants

    International Nuclear Information System (INIS)

    Hu, Jia-Guang; Xu, Wen

    2014-01-01

    With a square lattice mercury and water system being as the model, the band structures of nesting and compound phononic crystals with two different lattice constants were investigated using the method of the supercell plane wave expansion. It was observed that large band gaps can be achieved in low frequency regions by adjusting one of the lattice constants. Meanwhile, effects similar to interstitial impurity defects can be achieved with the increase of lattice constant of the phononic crystal. The corresponding defect modes can be stimulated in band gaps. The larger the lattice constant, the stronger the localization effect of defect modes on the wave. In addition, the change of the filling fraction of impurity exerts great influence on the frequency and localization of defect modes. Furthermore, the change of the position of impurity has notable influence on the frequency of defect modes and their localization. However, the geometry structure and orientation of impurity have little effect on the frequency of defect modes and their localization in the band gap.

  19. Orientation-dependent forces between flux lines and crystal lattice in pure niobium

    International Nuclear Information System (INIS)

    Holzhauser, W.

    1976-01-01

    Torque measurements were performed with cylindrical niobium crystals, due to the very small pinning of the high-purity material. A torque that tries to align the flux lines along special directions of the crystal lattice was studied

  20. Modeling of monolayer charge-stabilized colloidal crystals with static hexagonal crystal lattice

    Science.gov (United States)

    Nagatkin, A. N.; Dyshlovenko, P. E.

    2018-01-01

    The mathematical model of monolayer colloidal crystals of charged hard spheres in liquid electrolyte is proposed. The particles in the monolayer are arranged into the two-dimensional hexagonal crystal lattice. The model enables finding elastic constants of the crystals from the stress-strain dependencies. The model is based on the nonlinear Poisson-Boltzmann differential equation. The Poisson-Boltzmann equation is solved numerically by the finite element method for any spatial configuration. The model has five geometrical and electrical parameters. The model is used to study the crystal with particles comparable in size with the Debye length of the electrolyte. The first- and second-order elastic constants are found for a broad range of densities. The model crystal turns out to be stable relative to small uniform stretching and shearing. It is also demonstrated that the Cauchy relation is not fulfilled in the crystal. This means that the pair effective interaction of any kind is not sufficient to proper model the elasticity of colloids within the one-component approach.

  1. Self-organization processes and nanocluster formation in crystal lattices by low-energy ion irradiation

    International Nuclear Information System (INIS)

    Tereshko, I.; Abidzina, V.; Tereshko, A.; Glushchenko, V.; Elkin, I.

    2007-01-01

    The goal of this paper is to study self-organization processes that cause nanostructural evolution in nonlinear crystal media. The subjects of the investigation were nonlinear homogeneous and heterogeneous atom chains. The method of computer simulation was used to investigate the interaction between low-energy ions and crystal lattices. It was based on the conception of three-dimensional lattice as a nonlinear atom chain system. We showed that that in homogeneous atom chains critical energy needed for self-organization processes development is less than for nonlinear atom chain with already embedded clusters. The possibility of nanostructure formation was studied by a molecular dynamics method of nonlinear oscillations in atomic oscillator systems of crystal lattices after their low-energy ion irradiation. (authors)

  2. Lattice effects in HoVo(3) single crystal

    NARCIS (Netherlands)

    Sikora, M.; Marquina, C.; Ibarra, M. R.; Nugroho, A. A.; Palstra, T. T. M.

    We report the study of lattice effects in the Mott insulator HoVO3 performed by means of linear thermal expansion on a single crystal in the temperature range 10-290 K. The holmium orthovanadate HoVO3 reveals gradual orbital ordering (OO) below T-OO = 200K and orders antiferromagnetically at T-N =

  3. Lattice distortion under an electric field in BaTiO3 piezoelectric single crystal

    International Nuclear Information System (INIS)

    Tazaki, Ryoko; Fu Desheng; Daimon, Masahiro; Koshihara, Shin-ya; Itoh, Mitsuru

    2009-01-01

    Lattice distortions under an electric field in a mono-domain of BaTiO 3 ferroelectric crystal have been detected with synchrotron x-ray radiation. The variation of the lattice constant with an electric field observed with high angle diffraction shows a linear response nature of the piezoelectric effect. When an electric field is applied along the spontaneous polarization direction, the c-axis of the lattice elongates and the a-axis of the lattice shrinks at a rate of d 33 = 149 ± 54 pm V -1 and d 31 = -82 ± 61 pm V -1 ; these represent the longitudinal and transverse piezoelectric coefficients of BaTiO 3 crystal, respectively. These results give an insight into the intrinsic piezoelectric response on the lattice scale in BaTiO 3 that has been widely used to explore high performance lead-free piezoelectric alloys.

  4. Resolution of the hydroxyapatite crystal lattice in bone and dental enamel by electron microscopy

    International Nuclear Information System (INIS)

    Selvig, K.A.

    1975-01-01

    The molecular and atomic structure of hydroxyapatite was studied by transmission electron microscopy. The form, size and packing of hydroxyapatite crystals in sections of bone and dental hard tissues could be determined. Lattice fringe patterns with repeat distances in the range 2.7-8.2 A occurred in images of individual crystals. On the basis of these fringes the true orientation of the crystals relative to the plane of sectioning was calculated. The observed crystal lattice spacings and interplanar angles were in close agreement with data derived from X-ray diffraction analysis. This study shows that the possibility exists of relating crystallographic analysis to the morphology and fine structure of calcified tissue in health and disease

  5. Effect of composition and. gamma. -irradiation on crystal lattice spacing of lead sulphide

    Energy Technology Data Exchange (ETDEWEB)

    Indenbaum, G V; Novikova, S F; Vanyukov, A V; Dvorkin, Yu V [Moskovskij Inst. Stali i Splavov (USSR)

    1981-02-01

    Value of crystal lattice spacing of lead sulphide after annealing and quenching at temperatures of 600, 700 and 800 deg C are found for the both boundaries of homogeneity region with error of 5x10/sup -5/A. The effect of ..gamma.. irradiation with quanta energy of 1.25 MeV from /sup 60/Co source (10/sup 4/, 10/sup 5/ and 10/sup 6/ G/kg) on crystal lattice spacing of lead sulphide preliminary saturated with sulphur or lead at 600 deg C, is studied. It is established that lattice spacing of lead sulphide depends on material prehistory and decreases at room temperature after quenching and ..gamma..-irradiation. Effect of natural ageing of lead sulphide is explained by the decomposition of nonstechiometric solid solution, supersaturated with components, at room temperature.

  6. Crystal structure of human CRMP-4: correction of intensities for lattice-translocation disorder

    Energy Technology Data Exchange (ETDEWEB)

    Ponnusamy, Rajesh [Universidade Nova de Lisboa, Avenida da República, EAN, 2781-901 Oeiras (Portugal); Lebedev, Andrey A. [Research Complex at Harwell, STFC Rutherford Appleton Laboratory, Didcot OX11 0FA (United Kingdom); Pahlow, Steffen [University of Hamburg, Ohnhorststrasse 18, 22609 Hamburg (Germany); Lohkamp, Bernhard, E-mail: bernhard.lohkamp@ki.se [Karolinska Institutet, Tomtebodavägen 6, 4tr, 17177 Stockholm (Sweden); Universidade Nova de Lisboa, Avenida da República, EAN, 2781-901 Oeiras (Portugal)

    2014-06-01

    Crystals of human CRMP-4 showed severe lattice-translocation disorder. Intensities were demodulated using the so-called lattice-alignment method and a new more general method with simplified parameterization, and the structure is presented. Collapsin response mediator proteins (CRMPs) are cytosolic phosphoproteins that are mainly involved in neuronal cell development. In humans, the CRMP family comprises five members. Here, crystal structures of human CRMP-4 in a truncated and a full-length version are presented. The latter was determined from two types of crystals, which were either twinned or partially disordered. The crystal disorder was coupled with translational NCS in ordered domains and manifested itself with a rather sophisticated modulation of intensities. The data were demodulated using either the two-lattice treatment of lattice-translocation effects or a novel method in which demodulation was achieved by independent scaling of several groups of intensities. This iterative protocol does not rely on any particular parameterization of the modulation coefficients, but uses the current refined structure as a reference. The best results in terms of R factors and map correlation coefficients were obtained using this new method. The determined structures of CRMP-4 are similar to those of other CRMPs. Structural comparison allowed the confirmation of known residues, as well as the identification of new residues, that are important for the homo- and hetero-oligomerization of these proteins, which are critical to nerve-cell development. The structures provide further insight into the effects of medically relevant mutations of the DPYSL-3 gene encoding CRMP-4 and the putative enzymatic activities of CRMPs.

  7. Crystal structure of human CRMP-4: correction of intensities for lattice-translocation disorder

    International Nuclear Information System (INIS)

    Ponnusamy, Rajesh; Lebedev, Andrey A.; Pahlow, Steffen; Lohkamp, Bernhard

    2014-01-01

    Crystals of human CRMP-4 showed severe lattice-translocation disorder. Intensities were demodulated using the so-called lattice-alignment method and a new more general method with simplified parameterization, and the structure is presented. Collapsin response mediator proteins (CRMPs) are cytosolic phosphoproteins that are mainly involved in neuronal cell development. In humans, the CRMP family comprises five members. Here, crystal structures of human CRMP-4 in a truncated and a full-length version are presented. The latter was determined from two types of crystals, which were either twinned or partially disordered. The crystal disorder was coupled with translational NCS in ordered domains and manifested itself with a rather sophisticated modulation of intensities. The data were demodulated using either the two-lattice treatment of lattice-translocation effects or a novel method in which demodulation was achieved by independent scaling of several groups of intensities. This iterative protocol does not rely on any particular parameterization of the modulation coefficients, but uses the current refined structure as a reference. The best results in terms of R factors and map correlation coefficients were obtained using this new method. The determined structures of CRMP-4 are similar to those of other CRMPs. Structural comparison allowed the confirmation of known residues, as well as the identification of new residues, that are important for the homo- and hetero-oligomerization of these proteins, which are critical to nerve-cell development. The structures provide further insight into the effects of medically relevant mutations of the DPYSL-3 gene encoding CRMP-4 and the putative enzymatic activities of CRMPs

  8. Optical trapping via guided resonance modes in a Slot-Suzuki-phase photonic crystal lattice.

    Science.gov (United States)

    Ma, Jing; Martínez, Luis Javier; Povinelli, Michelle L

    2012-03-12

    A novel photonic crystal lattice is proposed for trapping a two-dimensional array of particles. The lattice is created by introducing a rectangular slot in each unit cell of the Suzuki-Phase lattice to enhance the light confinement of guided resonance modes. Large quality factors on the order of 10⁵ are predicted in the lattice. A significant decrease of the optical power required for optical trapping can be achieved compared to our previous design.

  9. Lattice location of helium in uranium dioxide single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Garrido, F.; Nowicki, L. E-mail: lech.nowicki@fuw.edu.pl; Sattonnay, G.; Sauvage, T.; Thome, L

    2004-06-01

    Lattice location of {sup 3}He atoms implanted into UO{sub 2} single crystals was performed by means of the channeling technique combined with nuclear reaction analysis (NRA) and Rutherford backscattering spectrometry (RBS). The {sup 3}He(d,p){sup 4}He reaction was used. The experimental angular scans show that helium atoms occupy octahedral interstitial positions.

  10. Extraordinary lateral beaming of sound from a square-lattice phononic crystal

    Energy Technology Data Exchange (ETDEWEB)

    Bai, Xiaoxue; Qiu, Chunyin; He, Hailong; Peng, Shasha; Ke, Manzhu [Key Laboratory of Artificial Micro- and Nano-structures of Ministry of Education and School of Physics and Technology, Wuhan University, Wuhan 430072 (China); Liu, Zhengyou, E-mail: zyliu@whu.edu.cn [Key Laboratory of Artificial Micro- and Nano-structures of Ministry of Education and School of Physics and Technology, Wuhan University, Wuhan 430072 (China); Institute for Advanced Studies, Wuhan University, Wuhan 430072 (China)

    2017-03-03

    Highlights: • An extraordinary lateral beaming phenomenon is observed in a finite phononic crystal made of square lattice. • The phenomenon can be explained by the equivalence of the states located around the four corners of the first Brillouin zone. • The lateral beaming behavior enables a simple design of acoustic beam splitters. • In some sense, the phenomenon can be described by a near zero refractive index. - Abstract: This work revisits the sound transmission through a finite phononic crystal of square lattice. In addition to a direct, ordinary transmission through the sample, an extraordinary lateral beaming effect is also observed. The phenomenon stems from the equivalence of the states located around the four corners of the first Brillouin zone. The experimental result agrees well with the theoretical prediction. The lateral beaming behavior enables a simple design for realizing acoustic beam splitters.

  11. Chemical composition, crystal size and lattice structural changes after incorporation of strontium into biomimetic apatite.

    Science.gov (United States)

    Li, Z Y; Lam, W M; Yang, C; Xu, B; Ni, G X; Abbah, S A; Cheung, K M C; Luk, K D K; Lu, W W

    2007-03-01

    Recently, strontium (Sr) as ranelate compound has become increasingly popular in the treatment of osteoporosis. However, the lattice structure of bone crystal after Sr incorporation is yet to be extensively reported. In this study, we synthesized strontium-substituted hydroxyapatite (Sr-HA) with different Sr content (0.3%, 1.5% and 15% Sr-HA in mole ratio) to simulate bone crystals incorporated with Sr. The changes in chemical composition and lattice structure of apetite after synthetic incorporation of Sr were evaluated to gain insight into bone crystal changes after incorporation of Sr. X-ray diffraction (XRD) patterns revealed that 0.3% and 1.5% Sr-HA exhibited single phase spectrum, which was similar to that of HA. However, 15% Sr-HA induced the incorporation of HPO4(2-) and more CO3(2-), the crystallinity reduced dramatically. Transmission electron microscopy (TEM) images showed that the crystal length and width of 0.3% and 1.5% Sr-HA increased slightly. Meanwhile, the length and width distribution were broadened and the aspect ratio decreased from 10.68+/-4.00 to 7.28+/-2.80. The crystal size and crystallinity of 15% Sr-HA dropped rapidly, which may suggest that the fundamental crystal structure is changed. The findings from this work indicate that current clinical dosage which usually results in Sr incorporation of below 1.5% may not change chemical composition and lattice structure of bone, while it will broaden the bone crystal size distribution and strengthen the bone.

  12. Equilibrium properties of the fluxoid lattice in single-crystal niobium

    International Nuclear Information System (INIS)

    Kerchner, H.R.; Christen, D.K.; Sekula, S.T.; Thorel, P.

    1979-06-01

    The dimensions and symmetry of the fluxoid lattice in a single-crystal sphere of niobium have been measured by using a double-perfect-crystal small-angle neutron-scattering technique (DCSANS). The bulk magnetization of the same sample has been measured by a field-sweep technique. In addition, the misalignment between the fluxoids and the applied magnetic field was observed by DCSANS. The experimental methods and most of the results are reported elsewhere. The findings are reported here, and the measurements are compared with realistic microscopic theory where it is available

  13. Crystal Engineering on Industrial Diaryl Pigments Using Lattice Energy Minimizations and X-ray Powder Diffraction

    International Nuclear Information System (INIS)

    Schmidt, M.; Dinnebier, R.; Kalkhof, H.

    2007-01-01

    Diaryl azo pigments play an important role as yellow pigments for printing inks, with an annual pigment production of more than 50,000 t. The crystal structures of Pigment Yellow 12 (PY12), Pigment Yellow 13 (PY13), Pigment Yellow 14 (PY14), and Pigment Yellow 83 (PY83) were determined from X-ray powder data using lattice energy minimizations and subsequent Rietveld refinements. Details of the lattice energy minimization procedure and of the development of a torsion potential for the biphenyl fragment are given. The Rietveld refinements were carried out using rigid bodies, or constraints. It was also possible to refine all atomic positions individually without any constraint or restraint, even for PY12 having 44 independent non-hydrogen atoms per asymmetric unit. For PY14 (23 independent non-hydrogen atoms), additionally all atomic isotropic temperature factors could be refined individually. PY12 crystallized in a herringbone arrangement with twisted biaryl fragments. PY13 and PY14 formed a layer structure of planar molecules. PY83 showed a herringbone structure with planar molecules. According to quantum mechanical calculations, the twisting of the biaryl fragment results in a lower color strength of the pigments, whereas changes in the substitution pattern have almost no influence on the color strength of a single molecule. Hence, the experimentally observed lower color strength of PY12 in comparison with that of PY13 and PY83 can be explained as a pure packing effect. Further lattice energy calculations explained that the four investigated pigments crystallize in three different structures because these structures are the energetically most favorable ones for each compound. For example, for PY13, PY14, or PY83, a PY12-analogous crystal structure would lead to considerably poorer lattice energies and lower densities. In contrast, lattice energy calculations revealed that PY12 could adopt a PY13-type structure with only slightly poorer energy. This structure was

  14. Square-lattice large-pitch hollow-core photonic crystal fiber

    DEFF Research Database (Denmark)

    Couny, F.; Roberts, John; Birks, T.A.

    2008-01-01

    We report on the design, fabrication and characterization of silica square-lattice hollow core photonic crystal fibers optimized for low loss guidance over an extended frequency range in the mid-IR region of the optical spectrum. The fiber's linear optical properties include an ultra-low group...... velocity dispersion and a polarization cross-coupling as low as -13.4dB over 10m of fiber....

  15. X-ray characteristic temperature of Fe-Ni alloys with different crystal lattices

    International Nuclear Information System (INIS)

    Krasnikova, G.N.; Ushakov, A.I.; Kazakov, V.G.; Bochkarev, V.F.; Gorovoj, A.M.

    1978-01-01

    Investigated has been the temperature dependence of the thermal expansion coefficient and the characteristic Debye temperature of the ferronickel films, having a body-centered (cubic) and a face-centered (cubic) lattice. In case of the body-centered lattice films the tests have been staged in the 100-200 deg C range, and in case of the face c.entered lattice films - in the 20-300 deg C range. The study of temperature dependence of the thermal expansion coefficient has revealed that a non-linear growth of the thermal expansion coefficient occurs in α-phase samples when approaching the phase transition temperature. The phase transition in the Invar composition Fe-Ni films is conductive to a considerable variation of the Debye temperature. Approaching the phase transition temperature, the crystal lattice dynamic characteristics vary

  16. A new crystal lattice structure of Helicobacter pylori neutrophil-activating protein (HP-NAP)

    International Nuclear Information System (INIS)

    Tsuruta, Osamu; Yokoyama, Hideshi; Fujii, Satoshi

    2012-01-01

    A new crystal lattice structure of H. pylori neutrophil-activating protein has been determined. Iron loading causes a series of conformational changes at the ferroxidase centre. A new crystal lattice structure of Helicobacter pylori neutrophil-activating protein (HP-NAP) has been determined in two forms: the native state (Apo) at 2.20 Å resolution and an iron-loaded form (Fe-load) at 2.50 Å resolution. The highly solvated packing of the dodecameric shell is suitable for crystallographic study of the metal ion-uptake pathway. Like other bacterioferritins, HP-NAP forms a spherical dodecamer with 23 symmetry including two kinds of channels. Iron loading causes a series of conformational changes of amino-acid residues (Trp26, Asp52 and Glu56) at the ferroxidase centre

  17. Tunable multi-wavelength polymer laser based on a triangular-lattice photonic crystal structure

    International Nuclear Information System (INIS)

    Huang, Wenbin; Pu, Donglin; Qiao, Wen; Wan, Wenqiang; Liu, Yanhua; Ye, Yan; Wu, Shaolong; Chen, Linsen

    2016-01-01

    A continuously tunable multi-wavelength polymer laser based on a triangular-lattice photonic crystal cavity is demonstrated. The triangular-lattice resonator was initially fabricated through multiple interference exposure and was then replicated into a low refractive index polymer via UV-nanoimprinting. The blend of a blue-emitting conjugated polymer and a red-emitting one was used as the gain medium. Three periods in the scalene triangular-lattice structure yield stable tri-wavelength laser emission (625.5 nm, 617.4 nm and 614.3 nm) in six different directions. A uniformly aligned liquid crystal (LC) layer was incorporated into the cavity as the top cladding layer. Upon heating, the orientation of LC molecules and thus the effective refractive index of the lasing mode changes which continuously shifts the lasing wavelength. A maximum tuning range of 12.2 nm was observed for the lasing mode at 625.5 nm. This tunable tri-wavelength polymer laser is simple constructed and cost-effective. It may find application in the fields of biosensors and photonic integrated circuits. (paper)

  18. Numerical study of slip system activity and crystal lattice rotation under wedge nanoindents in tungsten single crystals

    Science.gov (United States)

    Volz, T.; Schwaiger, R.; Wang, J.; Weygand, S. M.

    2018-05-01

    Tungsten is a promising material for plasma facing components in future nuclear fusion reactors. In the present work, we numerically investigate the deformation behavior of unirradiated tungsten (a body-centered cubic (bcc) single crystal) underneath nanoindents. A finite element (FE) model is presented to simulate wedge indentation. Crystal plasticity finite element (CPFE) simulations were performed for face-centered and body-centered single crystals accounting for the slip system family {110} in the bcc crystal system and the {111} slip family in the fcc system. The 90° wedge indenter was aligned parallel to the [1 ¯01 ]-direction and indented the crystal in the [0 1 ¯0 ]-direction up to a maximum indentation depth of 2 µm. In both, the fcc and bcc single crystals, the activity of slip systems was investigated and compared. Good agreement with the results from former investigations on fcc single crystals was observed. Furthermore, the in-plane lattice rotation in the material underneath an indent was determined and compared for the fcc and bcc single crystals.

  19. Lattice effects in HoVo3 single crystal

    International Nuclear Information System (INIS)

    Sikora, M.; Marquina, C.; Ibarra, M.R.; Nugroho, A.A.; Palstra, T.T.M.

    2007-01-01

    We report the study of lattice effects in the Mott insulator HoVO 3 performed by means of linear thermal expansion on a single crystal in the temperature range 10-290 K. The holmium orthovanadate HoVO 3 reveals gradual orbital ordering (OO) below T OO =200 K and orders antiferromagnetically at T N =113 K. A first-order structural phase transition takes place at T S ∼38 K, which is probably accompanied by change of the OO type and hence the type of antiferromagnetic spin ordering

  20. Lattice location studies of deuterium in Pdsub(0.8)Ausub(0.2) and Ta crystals by ion channeling

    International Nuclear Information System (INIS)

    Takahashi, J.; Yamaguchi, S.; Koiwa, M.; Fujino, Y.; Yoshinari, O.; Hirabayashi, M.

    1978-01-01

    The channelling of 300 to 400 KeV deuterons combined with the D(d,p)T reaction has been used to study the lattice location of deuterium in a fcc crystal of (Pdsub(0.8)Ausub(0.2))Dsub(0.04) and a bcc crystal of TaDsub(0.10). The channelling angular distributions are measured for , , axial and brace 100 brace, brace 110 brace, brace 111 brace planar directions. It is concluded that deuterium in Pdsub(0.8)Ausub(0.2) occupies the octahedral interstice of the fcc lattice, while that in Ta occupies the tetrahedral interstice of the bcc lattice. (author)

  1. Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene.

    Science.gov (United States)

    Zakharov, Boris A; Michalchuk, Adam A L; Morrison, Carole A; Boldyreva, Elena V

    2018-03-28

    The thermosalient effect (crystal jumping on heating) attracts much attention as both an intriguing academic phenomenon and in relation to its potential for the development of molecular actuators but its mechanism remains unclear. 1,2,4,5-Tetrabromobenzene (TBB) is one of the most extensively studied thermosalient compounds that has been shown previously to undergo a phase transition on heating, accompanied by crystal jumping and cracking. The difference in the crystal structures and intermolecular interaction energies of the low- and high-temperature phases is, however, too small to account for the large stress that arises over the course of the transformation. The energy is released spontaneously, and crystals jump across distances that exceed the crystal size by orders of magnitude. In the present work, the anisotropy of lattice strain is followed across the phase transition by single-crystal X-ray diffraction, focusing on the structural evolution from 273 to 343 K. A pronounced lattice softening is observed close to the transition point, with the structure becoming more rigid immediately after the phase transition. The diffraction studies are further supported by theoretical analysis of pairwise intermolecular energies and zone-centre lattice vibrations. Only three modes are found to monotonically soften up to the phase transition, with complex behaviour exhibited by the remaining lattice modes. The thermosalient effect is delayed with respect to the structural transformation itself. This can originate from the martensitic mechanism of the transformation, and the accumulation of stress associated with vibrational switching across the phase transition. The finding of this study sheds more light on the nature of the thermosalient effect in 1,2,4,5-tetrabromobenzene and can be applicable also to other thermosalient compounds.

  2. Extremely Low Loss THz Guidance Using Kagome Lattice Porous Core Photonic Crystal Fiber

    DEFF Research Database (Denmark)

    Hossain, Anwar; Hasanuzzaman, G.K.M.; Habib, Selim

    2015-01-01

    A novel porous core Kagome lattice photonic crystal fiber is proposed for extremely low loss THz waves guiding. It has been reported that 82.5% of bulk effective material loss of Topas can be reduced...

  3. Low crosstalk waveguide intersections in honeycomb lattice photonic crystals for TM-polarized light

    International Nuclear Information System (INIS)

    Ma, P; Jäckel, H

    2011-01-01

    We present the design of a low crosstalk, high throughput waveguide intersection for transverse-magnetic-polarized light. The design is based on two orthogonal photonic crystal waveguides and a resonant photonic crystal cavity in honeycomb lattice geometry. The results of our numerical simulation validate the concept of the design and demonstrate a crosstalk smaller than 0.1% and throughput transmission of more than 80% for both orthogonal waveguide branches

  4. Multiscale crystal defect dynamics: A coarse-grained lattice defect model based on crystal microstructure

    Science.gov (United States)

    Lyu, Dandan; Li, Shaofan

    2017-10-01

    Crystal defects have microstructure, and this microstructure should be related to the microstructure of the original crystal. Hence each type of crystals may have similar defects due to the same failure mechanism originated from the same microstructure, if they are under the same loading conditions. In this work, we propose a multiscale crystal defect dynamics (MCDD) model that models defects by considering its intrinsic microstructure derived from the microstructure or material genome of the original perfect crystal. The main novelties of present work are: (1) the discrete exterior calculus and algebraic topology theory are used to construct a scale-up (coarse-grained) dual lattice model for crystal defects, which may represent all possible defect modes inside a crystal; (2) a higher order Cauchy-Born rule (up to the fourth order) is adopted to construct atomistic-informed constitutive relations for various defect process zones, and (3) an hierarchical strain gradient theory based finite element formulation is developed to support an hierarchical multiscale cohesive (process) zone model for various defects in a unified formulation. The efficiency of MCDD computational algorithm allows us to simulate dynamic defect evolution at large scale while taking into account atomistic interaction. The MCDD model has been validated by comparing of the results of MCDD simulations with that of molecular dynamics (MD) in the cases of nanoindentation and uniaxial tension. Numerical simulations have shown that MCDD model can predict dislocation nucleation induced instability and inelastic deformation, and thus it may provide an alternative solution to study crystal plasticity.

  5. Elimination of spurious lattice fermion solutions and noncompact lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Lee, T.D.

    1997-09-22

    It is well known that the Dirac equation on a discrete hyper-cubic lattice in D dimension has 2{sup D} degenerate solutions. The usual method of removing these spurious solutions encounters difficulties with chiral symmetry when the lattice spacing l {ne} 0, as exemplified by the persistent problem of the pion mass. On the other hand, we recall that in any crystal in nature, all the electrons do move in a lattice and satisfy the Dirac equation; yet there is not a single physical result that has ever been entangled with a spurious fermion solution. Therefore it should not be difficult to eliminate these unphysical elements. On a discrete lattice, particle hop from point to point, whereas in a real crystal the lattice structure in embedded in a continuum and electrons move continuously from lattice cell to lattice cell. In a discrete system, the lattice functions are defined only on individual points (or links as in the case of gauge fields). However, in a crystal the electron state vector is represented by the Bloch wave functions which are continuous functions in {rvec {gamma}}, and herein lies one of the essential differences.

  6. Investigating the large degeneracy Kondo lattice metamagnet CeTiGe: Crystal growth and doping studies

    Energy Technology Data Exchange (ETDEWEB)

    Gruner, T.; Caroca-Canales, N.; Deppe, M.; Geibel, C. [MPI fuer Chemische Physik fester Stoffe, 01187, Dresden (Germany); Sereni, J. [Centro Atomico Bariloche, 8400, S. C. de Bariloche (Argentina)

    2011-07-01

    CeTiGe is a paramagnetic Kondo lattice system with a large orbital degeneracy involved in the formation of the heavy Fermion ground state. Recently we discovered that this compound presents a huge metamagnetic transition at B{sub MMT} {approx} 13 T, with much larger anomalies in magnetization, magnetoresistance and magnetostriction than in the archetypical Kondo lattice metamagnet CeRu{sub 2}Si{sub 2}. Since CeTiGe forms in a pronounced peritectic reaction the growth of single crystals is difficult. We therefore studied the Ce-Ti-Ge ternary metallographic phase diagram to get a sound basis for future crystal growth attempts. Preliminary results of growth experiments based on these studies are promising and shall be discussed. Furthermore, Ti-rich CeTiGe was recently reported to present a high temperature phase crystallizing in the closely related CeScSi structure type. In order to study this structural instability and the effect on the physical properties, we studied the effect of substituting Sc for Ti, since pure CeScGe crystallizes in the CeScSi structure type. In well annealed samples we observed a two phase region in the range 10% - 25%-Sc-substitution. Preliminary investigations of the CeSc{sub x}Ti{sub 1-x}Ge alloy suggest it is a promising candidate for the observation of a ferromagnetic quantum critical point in a large degeneracy Kondo lattice system.

  7. Effect of naturally-occurring uranium and thorium on the level of crystal lattice damage of Malaysian Zircon

    International Nuclear Information System (INIS)

    Meor Yusoff Sulaiman; Khangoankar, P.R.; Kamarudin Husin

    1999-01-01

    Malaysian zircon is classified as a radioactive mineral due to its high uranium and thorium content. Recoil α, which is produce from the decay process of these radioactive elements, could results to the damage of the crystal. Metamictization or crystal lattice damage level of this mineral can be determined from their crystallise size and lattice strain values. Results for two local zircon samples with different uranium and thorium content seem to suggest that there is some relationship between the concentration of these elements and its metamictization level. Comparison of the lattice strain value with previous results conducted on zircon from different country shows that the value is still within the range obtained. Microstructure analysis was also done on the samples. Fractures and pores formed on the mineral surface support the lattice expansion phenomena obtained from the crystallographic analysis. Production of a clean, white non-radioactive zircon pigment is among the commercial potential that could be derived from this study. (Author)

  8. A novel optical beam splitter based on photonic crystal with hybrid lattices

    International Nuclear Information System (INIS)

    Zhu Qing-Yi; Fu Yong-Qi; Zhang Zhi-Min; Hu De-Qing

    2012-01-01

    A novel optical beam splitter constructed on the basis of photonic crystal (PC) with hybrid lattices is proposed in this paper. The band gap of square-lattice PC is so designed that the incident light is divided into several branch beams. Triangular-lattice graded-index PCs are combined for focusing each branch. Computational calculations are carried out on the basis of finite-different time-domain algorithm to prove the feasibility of our design. The waveguide is unnecessary in the design. Thus the device has functions of both splitting and focusing beams. Size of the divided beam at site of full-width at half-maximum is of the order of λ/2. The designed splitter has the advantages that it has a small volume and can be integrated by conventional semiconductor manufacturing process. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  9. Influence of Nd dopants on lattice parameters and thermal and elastic properties in YVO4 single crystals

    International Nuclear Information System (INIS)

    Kucytowski, J.; Wokulska, K.; Kazmierczak-Balata, A.; Bodzenta, J.; Lukasiewicz, T.; Hofman, B.; Pyka, M.

    2008-01-01

    The influence of neodymium doping on YVO 4 single crystals has been studied. The crystals were grown by the Czochralski method. One of them was pure YVO 4 and the others were doped with neodymium (YVO 4 :Nd) at various concentrations of Nd = 0.3-3.0 at.%. The changes of the lattice parameters were determined by the Bond's method [W.L. Bond, Acta Cryst. 13 (1960) 814]. The thermal diffusivity and the velocity of ultrasound using the photothermal method with mirage effect and the pulse echo method [J. Bodzenta, M. Pyka, J. Phys. IV France 137 (2006) 259] were measured. In the examined crystals, it was found that the lattice parameters increase while the thermal diffusivity decreases with increasing concentration of Nd atoms

  10. Geometric treatment of conduction electron scattering by crystal lattice strains and dislocations

    Energy Technology Data Exchange (ETDEWEB)

    Viswanathan, Koushik, E-mail: kviswana@purdue.edu [Department of Physics, Purdue University, West Lafayette, Indiana 47907 (United States); Center for Materials Processing and Tribology, Purdue University, West Lafayette, Indiana 47907 (United States); Chandrasekar, Srinivasan [Center for Materials Processing and Tribology, Purdue University, West Lafayette, Indiana 47907 (United States)

    2014-12-28

    The problem of conduction electron scattering by inhomogeneous crystal lattice strains is addressed using a tight-binding formalism and the differential geometric treatment of deformations in solids. In this approach, the relative positions of neighboring atoms in a strained lattice are naturally taken into account, even in the presence of crystal dislocations, resulting in a fully covariant Schrödinger equation in the continuum limit. Unlike previous work, the developed formalism is applicable to cases involving purely elastic strains as well as discrete and continuous distributions of dislocations—in the latter two cases, it clearly demarcates the effects of the dislocation strain field and core. It also differentiates between elastic and plastic strain contributions, respectively. The electrical resistivity due to the strain field of edge dislocations is then evaluated and the resulting numerical estimate for Cu shows good agreement with reported experimental values. This indicates that the electrical resistivity of edge dislocations in metals is not entirely due to the core, contrary to current models. Application to the study of strain effects in constrained quantum systems is also discussed.

  11. Influence of crystal orientation on the formation of femtosecond laser-induced periodic surface structures and lattice defects accumulation

    Energy Technology Data Exchange (ETDEWEB)

    Sedao, Xxx; Garrelie, Florence, E-mail: florence.garrelie@univ-st-etienne.fr; Colombier, Jean-Philippe; Reynaud, Stéphanie; Pigeon, Florent [Université de Lyon, CNRS, UMR5516, Laboratoire Hubert Curien, Université de Saint Etienne, Jean Monnet, F-42023 Saint-Etienne (France); Maurice, Claire; Quey, Romain [Ecole Nationale Supérieure des Mines de Saint-Etienne, CNRS, UMR5307, Laboratoire Georges Friedel, F-42023 Saint-Etienne (France)

    2014-04-28

    The influence of crystal orientation on the formation of femtosecond laser-induced periodic surface structures (LIPSS) has been investigated on a polycrystalline nickel sample. Electron Backscatter Diffraction characterization has been exploited to provide structural information within the laser spot on irradiated samples to determine the dependence of LIPSS formation and lattice defects (stacking faults, twins, dislocations) upon the crystal orientation. Significant differences are observed at low-to-medium number of laser pulses, outstandingly for (111)-oriented surface which favors lattice defects formation rather than LIPSS formation.

  12. Contributions to the study of elementary excitations in crystal lattice of real solids

    International Nuclear Information System (INIS)

    Vamanu, V.D.

    1978-01-01

    Two methods for the determination of magnon and phonon elementary excitation spectrum in crystal lattices of certain real solid models have been proposed, tracing down their efficiency in interpreting and predicting certain macroscopic characteristics and behaviour of the materials from the technological point of view, such as saturation magnetization, stability of magnetic phases, spin wave resonance spectra, specific heat, radiation emission and absorbtion etc. The models selected for the real solid are created by supplying the ideal solid model - i.e.a. boundless, periodic solid crystal - with limits, shape and inner defects. Therefore, the paper investigates two typical varieties: the thin monocrystal layer and the crystal itself characterized by impurities. (author)

  13. Coherent-potential approximation for the lattice vibrations of mixed III-V crystals

    International Nuclear Information System (INIS)

    Kleinert, P.

    1984-01-01

    The coherent-potential approximation (CPA) is applied to the lattice dynamics of some III-V mixed crystals. The calculations are based on an eleven-parameter rigid-ion model (RIM 11). Explicit results are reported for the one-mode system In/sub 1-c/Ga/sub c/P and the two mixed-mode crystals In/sub 1-c/Ga/sub c/Sb and GaSb/sub 1-c/As/sub c/. Both, the reflectivity spectra and the composition dependence of vibrations at the GAMMA and X points are compared with existing experimental data. Force-constant changes are considered by the virtual-crystal approximation (VCA). The CPA theory is uniquely successful for III-V mixed-mode systems, which appear to switch from one-mode to two-mode behaviour. (author)

  14. New Crystal-Growth Methods for Producing Lattice-Matched Substrates for High-Temperature Superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Boatner, L.A.

    2008-06-24

    This effort addressed the technical problem of identifying and growing, on a commercial scale, suitable single-crystal substrates for the subsequent deposition of epitaxial thin films of high temperature semiconductors such as GaN/AlN. The lack of suitable lattice-matched substrate materials was one of the major problem areas in the development of semiconducting devices for use at elevated temperatures as well as practical opto-electronic devices based on Al- and GaN technology. Such lattice-matched substrates are necessary in order to reduce or eliminate high concentrations of defects and dislocations in GaN/AlN and related epitaxial thin films. This effort concentrated, in particular, on the growth of single crystals of ZnO for substrate applications and it built on previous ORNL experience in the chemical vapor transport growth of large single crystals of zinc oxide. This combined expertise in the substrate growth area was further complemented by the ability of G. Eres and his collaborators to deposit thin films of GaN on the subject substrates and the overall ORNL capability for characterizing the quality of such films. The research effort consisted of research on the growth of two candidate substrate materials in conjunction with concurrent research on the growth and characterization of GaN films, i.e. the effort combined bulk crystal growth capabilities in the area of substrate production at both ORNL and the industrial partner, Commercial Crystal Growth Laboratories (CCL), Naples, Florida, with the novel thin-film deposition techniques previously developed in the ORNL SSD.

  15. Effect of plasma absorption on dust lattice waves in hexagonal dust crystals

    Science.gov (United States)

    Kerong, HE; Hui, CHEN; Sanqiu, LIU

    2018-04-01

    In the present paper, the effect of plasma absorption on lattice waves in 2D hexagonal dust crystals is investigated. The dispersion relations with the effect of plasma absorption are derived. It is found that the temperature effect (electron-to-ion temperature ratio τ) enhances the frequency of the dust lattice waves, while the spatial effect (dimensionless Debye shielding parameter \\tilde{κ }) weakens the frequency of the dust lattice waves. In addition, the system stabilities under the conditions of plasma absorption are studied. It is found that the temperature effect narrows the range of instability, while the spatial effect extends this range. And the range of instability is calculated, i.e. the system will always in the stable state regardless of the value of \\tilde{κ } when τ > 3.5. However, the system will be unstable when τ = 1 and \\tilde{κ }> 4.1.

  16. Unidirectional edge states in topological honeycomb-lattice membrane photonic crystals.

    Science.gov (United States)

    Anderson, P Duke; Subramania, Ganapathi

    2017-09-18

    Photonic analogs of electronic systems with topologically non-trivial behavior such as unidirectional scatter-free propagation has tremendous potential for transforming photonic systems. Like in electronics topological behavior can be observed in photonics for systems either preserving time-reversal (TR) symmetry or explicitly breaking it. TR symmetry breaking requires magneto-optic photonics crystals (PC) or generation of synthetic gauge fields. For on-chip photonics that operate at optical frequencies both are quite challenging because of poor magneto-optic response of materials or substantial nanofabrication challenges in generating synthetic gauge fields. A recent work by Ma, et al. [Phys. Rev. Lett.114, 223901 (2015)] based on preserving pseudo TR symmetry offers a promising design scheme for observing unidirectional edge states in a modified honeycomb photonic crystal (PC) lattice of circular rods that offers encouraging alternatives. Here we propose through bandstructure calculations the inverse system of modified honeycomb PC of circular holes in a dielectric membrane which is more attractive from fabrication standpoint for on-chip applications. We observe trivial and non-trivial bandgaps as well as unidirectional edge states of opposite helicity propagating in opposite directions at the interface of a trivial and non-trivial PC structures. Around 1550nm operating wavelength ~55nm of bandwidth is possible for practicable values of design parameters (lattice constant, hole radii, membrane thickness, scaling factor etc.) and robust to reasonable variations in those parameters.

  17. Negative refractions by triangular lattice sonic crystals in partial band gaps

    International Nuclear Information System (INIS)

    Alagoz, S.; Sahin, A.; Alagoz, B. B.; Nur, S.

    2015-01-01

    This study numerically demonstrates the effects of partial band gaps on the negative refraction properties of sonic crystal. The partial band gap appearing at the second band edge leads to the efficient transmissions of scattered wave envelopes in the transverse directions inside triangular lattice sonic crystal, and therefore enhances the refraction property of sonic crystal. Numerical simulation results indicate a diagonal guidance of coupled scattered wave envelopes inside crystal structure at the partial band gap frequencies and then output waves are restored in the vicinity of the output interface of sonic crystal by combining phase coherent scattered waves according to Huygens’ principles. This mechanism leads to two operations for wavefront engineering: one is spatial wavefront shifting operation and the other is convex–concave wavefront inversion operation. The effects of this mechanism on the negative refraction and wave focalization are investigated by using the finite difference time domain (FDTD) simulations. This study contributes to a better understanding of negative refraction and wave focusing mechanisms at the band edge frequencies, and shows the applications of the slab corner beam splitting and SC-air multilayer acoustic system. (paper)

  18. Nematic quantum liquid crystals of bosons in frustrated lattices

    Science.gov (United States)

    Zhu, Guanyu; Koch, Jens; Martin, Ivar

    2016-04-01

    The problem of interacting bosons in frustrated lattices is an intricate one due to the absence of a unique minimum in the single-particle dispersion where macroscopic number of bosons can condense. Here, we consider a family of tight-binding models with macroscopically degenerate lowest energy bands, separated from other bands by a gap. We predict the formation of exotic states that spontaneously break rotational symmetry at relatively low filling. These states belong to three nematic phases: Wigner crystal, supersolid, and superfluid. The Wigner crystal phase is established exactly at low filling. Supersolid and superfluid phases, at larger filling, are obtained by making use of a projection onto the flat band, construction of an appropriate Wannier basis, and subsequent mean-field treatment. The nematic superfluid that we predict is uniform in real space but has an anisotropic momentum distribution, providing a novel scenario for Bose condensation with an additional nematic order. Our findings open up a promising direction of studying microscopic quantum liquid crystalline phases of bosons.

  19. Analysis of polytype stability in PVT grown silicon carbide single crystal using competitive lattice model Monte Carlo simulations

    Directory of Open Access Journals (Sweden)

    Hui-Jun Guo

    2014-09-01

    Full Text Available Polytype stability is very important for high quality SiC single crystal growth. However, the growth conditions for the 4H, 6H and 15R polytypes are similar, and the mechanism of polytype stability is not clear. The kinetics aspects, such as surface-step nucleation, are important. The kinetic Monte Carlo method is a common tool to study surface kinetics in crystal growth. However, the present lattice models for kinetic Monte Carlo simulations cannot solve the problem of the competitive growth of two or more lattice structures. In this study, a competitive lattice model was developed for kinetic Monte Carlo simulation of the competition growth of the 4H and 6H polytypes of SiC. The site positions are fixed at the perfect crystal lattice positions without any adjustment of the site positions. Surface steps on seeds and large ratios of diffusion/deposition have positive effects on the 4H polytype stability. The 3D polytype distribution in a physical vapor transport method grown SiC ingot showed that the facet preserved the 4H polytype even if the 6H polytype dominated the growth surface. The theoretical and experimental results of polytype growth in SiC suggest that retaining the step growth mode is an important factor to maintain a stable single 4H polytype during SiC growth.

  20. The role of diffusion measurements in the study of crystal lattice defects

    Energy Technology Data Exchange (ETDEWEB)

    Kidson, G V

    1965-07-15

    Measurements of atomic mobility in solids are frequently of direct interest to those concerned with the design, development and utilization of materials in engineering. Increasing attention, however, is currently devoted to an under standing of such properties in terms of the occurrence and nature of point and line defects in the crystals. This paper reviews some recent diffusion studies conducted at C.R,N.L. that provide, in addition to data of interest in nuclear technology, a means of gaining some insight into the more fundamental nature of the lattice defects occurring in the materials. The systems discussed are (i) self diffusion in the high temperature phase of pure zirconium (ii) solute diffusion in lead and (iii) interdiffusion of aluminum and zirconium The unusual and at present incompletely understood results described in (i) are briefly reviewed. Evidence is given to suggest that diffusion occurs either through a dense dislocation network produced as a result of a martensitic phase transformation, or, alternatively, by excess vacancies introduced into the crystal by impurities. In (ii) the extraordinarily rapid diffusion of noble metal solutes in high purity lead single crystals will be discussed n terms of the state of solution of the solute atoms. It will be shown that their diffusion behaviour can be understood by assuming that a fraction f{sub i} of the dissolved solute atoms occupy interstitial sites, The measured diffusion coefficient D{sub m} is related to the interstitial diffusion coefficient by D{sub m} = f{sub i} D{sub i}. In (iii) the formation and rapid growth of single intermetallic compound ZrAl{sub 3} in the diffusion zone formed between pure zirconium and pure aluminum is described and the diffusion mechanism is interpreted in terms of the structure of the compound lattice. The results indicate that ZrAl{sub 3} forms a defect lattice, leading to the relatively rapid migration of aluminum atoms. (author)

  1. Anisotropic lattice expansion of three-dimensional colloidal crystals and its impact on hypersonic phonon band gaps.

    Science.gov (United States)

    Wu, Songtao; Zhu, Gaohua; Zhang, Jin S; Banerjee, Debasish; Bass, Jay D; Ling, Chen; Yano, Kazuhisa

    2014-05-21

    We report anisotropic expansion of self-assembled colloidal polystyrene-poly(dimethylsiloxane) crystals and its impact on the phonon band structure at hypersonic frequencies. The structural expansion was achieved by a multistep infiltration-polymerization process. Such a process expands the interplanar lattice distance 17% after 8 cycles whereas the in-plane distance remains unaffected. The variation of hypersonic phonon band structure induced by the anisotropic lattice expansion was recorded by Brillouin measurements. In the sample before expansion, a phononic band gap between 3.7 and 4.4 GHz is observed; after 17% structural expansion, the gap is shifted to a lower frequency between 3.5 and 4.0 GHz. This study offers a facile approach to control the macroscopic structure of colloidal crystals with great potential in designing tunable phononic devices.

  2. Localized electromagnetic modes and transmission spectrum of one-dimensional photon crystal with lattice defects

    CERN Document Server

    Vetrov, S Y

    2001-01-01

    The properties of the localized electromagnetic modes in the one-dimensional photon crystal with a structural defective layer are studied. The anisotropic layer of the nematic liquid layer is considered as the defect. It is shown that the frequency and coefficient of the defective modes attenuation essentially depend on the defective layer thickness and nematic optical axis orientation. The spectrum of the photon crystal transmittance with one or two defects in the lattice is studied. The possibility of controlling the the photon crystal transmittance spectrum on the count of changing the orientation of the nematic optical axis, for example, through the external electric field is shown with an account of strong anisotropy of the dielectric permittivity

  3. Lattice dynamics of a crystal with a molecular impurity

    International Nuclear Information System (INIS)

    Sahoo, D.; Venkataraman, G.

    1975-01-01

    The dynamics of a crystal containing a molecular impurity is discussed with allowance for the effects of internal vibrations of the molecule. Cartesian coordinates are used to describe internal vibrations, angular oscillations and centre of mass translations of the impurity, and the displacement of atoms of the host lattice. Next the Hamiltonian is set up and the equations of motion derived. In this process, use is made of Dirac brackets when dealing with vibrational coordinates (of the molecule) which have redundancy and constraints. A method of solution of the normal modes of the system is indicated by using the defect space matrixpartitioning technique. The special case of a rigid molecular impurity is then discussed along with the relevance of the present formalism in the interpretation of a recent neutron scattering experiment. It is also shown how the results of crystal-field approximation model and those of the molecular model approximation are obtained as further special cases of the present formalism. A comparison of the present work with those of others has been made. (author)

  4. Experimental evidence for a chiral symmetry-breaking mechanism in aspartic acid: Lattice and sub-lattice matching

    Science.gov (United States)

    Teschke, Omar; Soares, David Mendez

    2017-10-01

    A mother crystal formed from a transient molecular structure of (D+L) aspartic acid in solution is reported. Hexagonal structures with a lattice constant of 1.04 nm were crystallized from a solution in which three aspartic acid species coexist: right- and left-handed enantiomorphs, denoted D-aspartic and L-aspartic, respectively, and transitory (D+L) aspartic acid specie. Atomic force microscopy images of the crystalline deposits reveal domains of the transitory (D+L) aspartic acid crystal forming the substrate deposit on silicon wafers, and on top of this hexagonal lattice only L-aspartic acid is observed to conform and crystallize. A preferential crystallization mechanism is then observed for (D+L) aspartic acid crystals that seed only L-aspartic deposits by the geometrical matching of their multiple hexagonal lattice structures with periodicities of 1.04 nm and 0.52 nm, respectively.

  5. Holographic Fabrication of Designed Functional Defect Lines in Photonic Crystal Lattice Using a Spatial Light Modulator

    Directory of Open Access Journals (Sweden)

    Jeffrey Lutkenhaus

    2016-04-01

    Full Text Available We report the holographic fabrication of designed defect lines in photonic crystal lattices through phase engineering using a spatial light modulator (SLM. The diffracted beams from the SLM not only carry the defect’s content but also the defect related phase-shifting information. The phase-shifting induced lattice shifting in photonic lattices around the defects in three-beam interference is less than the one produced by five-beam interference due to the alternating shifting in lattice in three beam interference. By designing the defect line at a 45 degree orientation and using three-beam interference, the defect orientation can be aligned with the background photonic lattice, and the shifting is only in one side of the defect line, in agreement with the theory. Finally, a new design for the integration of functional defect lines in a background phase pattern reduces the relative phase shift of the defect and utilizes the different diffraction efficiency between the defect line and background phase pattern. We demonstrate that the desired and functional defect lattice can be registered into the background lattice through the direct imaging of designed phase patterns.

  6. The influence of high hydrostatic pressure on lattice parameters of a single crystal of BaTiO3

    International Nuclear Information System (INIS)

    Malinowski, M.; Lukaszewicz, K.; Asbrink, S.

    1986-01-01

    The lattice parameters of a single crystal of BaTiO 3 have been measured under high hydrostatic pressure up to 5 GPa using a diamond-anvil high-pressure cell of a new design. The lattice becomes cubic at 2.08(8) GPa and stays cubic at higher pressures. The pressure dependence of the tetragonal-cubic transition temperature is estimated to be -46 K GPa -1 . (orig.)

  7. Effect of γ-irradiation on the lattice parameter and colour centre concentration in pure Ca2+, Sr2+ and Eu2+ doped KCl crystals

    International Nuclear Information System (INIS)

    Damm, J.Z.; Stepien-Damm, J.

    1980-01-01

    The changes of lattice parameter and colour centre concentration are examined in KCl crystals (both pure and Me 2+ -doped) irradiated by γ-rays at room temperature. For the pure crystals the relative volume change vs. F-centre concentration plot reveals the presence of two stages, one ascribed to the introduction of colour centre pairs (or F centres only) and other to the generation of new dislocations (or new dislocations with trapped-hole centres). In Me 2+ doped crystals the lattice expansion bears a complex character (in the initial irradiation stage a transient maximum appears). Additional anomaly appears in Eu 2+ KCl in the high-dose range where in spite of a distinct F-centre concentration drop a marked raise of the lattice parameter is observed. (author)

  8. Elastic lattice in an incommensurate background

    International Nuclear Information System (INIS)

    Dickman, R.; Chudnovsky, E.M.

    1995-01-01

    We study a harmonic triangular lattice, which relaxes in the presence of an incommensurate short-wavelength potential. Monte Carlo simulations reveal that the elastic lattice exhibits only short-ranged translational correlations, despite the absence of defects in either lattice. Extended orientational order, however, persists in the presence of the background. Translational correlation lengths exhibit approximate power-law dependence upon cooling rate and background strength. Our results may be relevant to Wigner crystals, atomic monolayers on crystals surfaces, and flux-line and magnetic bubble lattices

  9. Analysis of crystallite size and microdeformation crystal lattice the tungsten carbide milling in mill high energy

    International Nuclear Information System (INIS)

    Silva, F.T. da; Nunes, M.A.M.; Souza, C.P. de; Gomes, U.U.

    2010-01-01

    The tungsten carbide (WC) has wide application due to its properties like high melting point, high hardness, wear resistance, oxidation resistance and good electrical conductivity. The microstructural characteristics of the starting powders influences the final properties of the carbide. In this context, the use of nanoparticle powders is an efficient way to improve the final properties of the WC. The high energy milling stands out from other processes to obtain nanometric powders due to constant microstructural changes caused by this process. Therefore, the objective is to undertake an analysis of microstructural characteristics on the crystallite size and microdeformations of the crystal lattice using the technique of X-ray diffraction (XRD) using the Rietveld refinement. The results show an efficiency of the milling process to reduce the crystallite size, leading to a significant deformation in the crystal lattice of WC from 5h milling. (author)

  10. Steady-state hydrodynamic instabilities of active liquid crystals: hybrid lattice Boltzmann simulations.

    Science.gov (United States)

    Marenduzzo, D; Orlandini, E; Cates, M E; Yeomans, J M

    2007-09-01

    We report hybrid lattice Boltzmann (HLB) simulations of the hydrodynamics of an active nematic liquid crystal sandwiched between confining walls with various anchoring conditions. We confirm the existence of a transition between a passive phase and an active phase, in which there is spontaneous flow in the steady state. This transition is attained for sufficiently "extensile" rods, in the case of flow-aligning liquid crystals, and for sufficiently "contractile" ones for flow-tumbling materials. In a quasi-one-dimensional geometry, deep in the active phase of flow-aligning materials, our simulations give evidence of hysteresis and history-dependent steady states, as well as of spontaneous banded flow. Flow-tumbling materials, in contrast, rearrange themselves so that only the two boundary layers flow in steady state. Two-dimensional simulations, with periodic boundary conditions, show additional instabilities, with the spontaneous flow appearing as patterns made up of "convection rolls." These results demonstrate a remarkable richness (including dependence on anchoring conditions) in the steady-state phase behavior of active materials, even in the absence of external forcing; they have no counterpart for passive nematics. Our HLB methodology, which combines lattice Boltzmann for momentum transport with a finite difference scheme for the order parameter dynamics, offers a robust and efficient method for probing the complex hydrodynamic behavior of active nematics.

  11. Crystal Systems.

    Science.gov (United States)

    Schomaker, Verner; Lingafelter, E. C.

    1985-01-01

    Discusses characteristics of crystal systems, comparing (in table format) crystal systems with lattice types, number of restrictions, nature of the restrictions, and other lattices that can accidently show the same metrical symmetry. (JN)

  12. Optical NOR logic gate design on square lattice photonic crystal platform

    Energy Technology Data Exchange (ETDEWEB)

    D’souza, Nirmala Maria, E-mail: nirmala@cukerala.ac.in; Mathew, Vincent, E-mail: vincent@cukerala.ac.in [Department of Physics, Central University of Kerala, Kasaragod, Kerala-671 314 (India)

    2016-05-06

    We numerically demonstrate a new configuration of all-optical NOR logic gate with square lattice photonic crystal (PhC) waveguide using finite difference time domain (FDTD) method. The logic operations are based on interference effect of optical waves. We have determined the operating frequency range by calculating the band structure for a perfectly periodic PhC using plane wave expansion (PWE) method. Response time of this logic gate is 1.98 ps and it can be operated with speed about 513 GB/s. The proposed device consists of four linear waveguides and a square ring resonator waveguides on PhC platform.

  13. Band structure of semiconductor compounds of Mg sub 2 Si and Mg sub 2 Ge with strained crystal lattice

    CERN Document Server

    Krivosheeva, A V; Shaposhnikov, V L; Krivosheev, A E; Borisenko, V E

    2002-01-01

    The effect of isotopic and unaxial deformation of the crystal lattice on the electronic band structure of indirect band gap semiconductors Mg sub 2 Si and Mg sub 2 Ge has been simulated by means of the linear augmented plane wave method. The reduction of the lattice constant down to 95 % results in a linear increase of the direct transition in magnesium silicide by 48%. The stresses arising under unaxial deformation shift the bands as well as result in splitting of degenerated states. The dependence of the interband transitions on the lattice deformation is nonlinear in this case

  14. New methods for indexing multi-lattice diffraction data

    International Nuclear Information System (INIS)

    Gildea, Richard J.; Waterman, David G.; Parkhurst, James M.; Axford, Danny; Sutton, Geoff; Stuart, David I.; Sauter, Nicholas K.; Evans, Gwyndaf; Winter, Graeme

    2014-01-01

    A new indexing method is presented which is capable of indexing multiple crystal lattices from narrow wedges of data. The efficacy of this method is demonstrated with both semi-synthetic multi-lattice data and real multi-lattice data recorded from microcrystals of ∼1 µm in size. A new indexing method is presented which is capable of indexing multiple crystal lattices from narrow wedges of diffraction data. The method takes advantage of a simplification of Fourier transform-based methods that is applicable when the unit-cell dimensions are known a priori. The efficacy of this method is demonstrated with both semi-synthetic multi-lattice data and real multi-lattice data recorded from crystals of ∼1 µm in size, where it is shown that up to six lattices can be successfully indexed and subsequently integrated from a 1° wedge of data. Analysis is presented which shows that improvements in data-quality indicators can be obtained through accurate identification and rejection of overlapping reflections prior to scaling

  15. Interaction between crystal lattice and mobile ions in copper selenides studied by EXAFS spectroscopy

    International Nuclear Information System (INIS)

    Asylgushina, G.N.; Bikkulova, N.N.; Titova, S.G.; Kochubey, D.I.

    2005-01-01

    Interaction between crystal lattice and mobile Cu ions has been studied in Cu 2- x Se in superionic and in normal state using EXAFS-spectroscopy. It has been found that the transition from normal to superionic state and change of mobile Cu ion concentration practically do not have an influence on local state of Cu atoms, but change of both these parameters is accompanied by a change of Se-sublattice state

  16. Effect of lattice disorder on the thermal conductivity of ZnBeSe, ZnMgSe and ZnBeMgSe crystals

    International Nuclear Information System (INIS)

    Strzałkowski, K.

    2015-01-01

    Zn 1−x−y Be x Mg y Se mixed crystals investigated in this work were grown from the melt by the high pressure high temperature modified Bridgman method in the range of composition 0 < x,y < 0.33. Photopyroelectric (PPE) calorimetry in the back (BPPE) and front (FPPE) configuration was applied for thermal investigation of solid samples. The thermal diffusivity and effusivity of investigated crystals were derived from the experimental data. Since dynamic thermal parameters are connected with each other, thermal conductivity of the specimens was calculated from theoretical dependencies between them. The influence of the beryllium (x) and magnesium (y) content on thermal properties of these crystals have been presented and discussed. Order-disorder effects observed for these materials previously have been also taken into account. Finally, thermal diagrams, i.e. thermal conductivity versus composition were presented and discussed applying model given by Sadao Adachi. - Highlights: • Investigated II–VI crystals were obtained by a high pressure modified Bridgman method. • A complete thermal characterization of Zn 1−x−y Be x Mg y Se semiconductors was carried out. • The effect of lattice disorder on thermal properties was presented and discussed. • Obtained data were analyzed applying lattice thermal conductivity model. • Contribution to thermal resistivity arising from lattice disorder was calculated

  17. Annealing effect of H+ -implanted single crystal silicon on strain and crystal structure

    International Nuclear Information System (INIS)

    Duo Xinzhong; Liu Weili; Zhang Miao; Gao Jianxia; Fu Xiaorong; Lin Chenglu

    2000-01-01

    The work focuses on the rocking curves of H + -implanted single silicon crystal detected by Four-Crystal X-ray diffractometer. The samples were annealed under different temperatures. Lattice defect in H + -implanted silicon crystals was detected by Rutherford Backscattering Spectrometry. It appeared that H-related complex did not crush until annealing temperature reached about 400 degree C. At that temperature H 2 was formed, deflated in silicon lattice and strained the lattice. But defects did not come into being in large quantity. The lattice was undamaged. When annealing temperature reached 500 degree C, strain induced by H 2 deflation crashed the silicon lattice. A large number of defects were formed. At the same time bubbles in the crystal and blister/flaking on the surface could be observed

  18. Dissipation of the electronic excitation energy in fluorides with different type of a crystal lattice

    International Nuclear Information System (INIS)

    Lisitsyn, V.M.; Grechkina, T. V.; Korepanov, V.I.; Lisitsyna, L.A.

    2004-01-01

    Full text: In this paper we present results of comparison of efficiency creations of primary defects in crystals of fluorides of two different lattice structures: stone salt - LiF and rutile MgF 2 . We have used the methods with nanosecond time-resolved of pulse spectroscopy and found laws of creation and evolution self-trapped exciton (STE) and the F centers in a temperature range from 12.5 to 500 K and a time interval from 10 -8 to 10 -1 s after the ending of influence of a pulse electron. The density of excitation of crystals in a pulse is no more than 0.1 J·cm -3 , average energy electrons made 200 keV, duration electron pulse - 7 ns. It is established, that in crystal LiF under action of radiation are created STE two types which have various spectral-kinetic parameters absorption and emission transitions, various values of activation energy of processes of a post-industrial relaxation and different character of temperature dependences of creation efficiency under action electron pulse. In the field of low temperatures (12.5 K) created on center STE has absorption bands on 5.5 and 5.1 eV and emission band on 5.8 eV. Off-center STE has absorption on 5.3 and 4.75 eV and emission on 4.4 eV bands and are created in the interval 12.5-170 K with peak efficiency h area 60 K. In crystal MgF 2 at low temperatures (20 K) under action of radiation one STE with a nucleus occupying off-center configuration, having luminescence band on 3.2 eV and a series absorption transitions in area 4-5.5 eV is created. Concurrently with STE in both crystals under action of a pulse electron the F-centers with efficiency, not dependent on temperature of a crystal in area 20-100 K are created. There are two alternative processes under action of an irradiation with growth of temperature higher 100 K: reducing of STE creation and increasing of F centers creation. In both crystals quenching temperature of luminescence STE at T>60 K which is not accompanied by growth of efficiency of creation

  19. Boron lattice location in room temperature ion implanted Si crystal

    International Nuclear Information System (INIS)

    Piro, A.M.; Romano, L.; Mirabella, S.; Grimaldi, M.G.

    2005-01-01

    The B lattice location in presence of a Si-self-interstitial (I Si ) supersaturation, controlled by energetic proton bombardment, has been studied by means of ion channelling and massive Monte Carlo simulations. B-doped layers of Si crystals with a B concentration of 1 x 10 2 B/cm 3 were grown by Molecular Beam Epitaxy. Point defect engineering techniques, with light energetic ion implants, have been applied to generate an I Si uniform injection in the electrically active layer. The displacement of B atoms out of substitutional lattice sites was induced by 650 keV proton irradiations at room temperature (R.T.) and the resultant defect configuration was investigated by ion channelling and Nuclear Reaction Analysis (NRA) techniques. Angular scans were measured both through and axes along the (1 0 0) plane using the 11 B(p,α) 8 Be nuclear reaction at 650 keV proton energy. Monte Carlo simulated angular scans were calculated considering a variety of theoretical defect configurations, supported by literature, and compared with experimental data. Our experimental scans can be fitted by a linear combination of small (0.3 A) and large B displacements (1.25 A) along the direction, compatible with the B-dumbbell oriented along as proposed by ab initio calculations

  20. Method of storing radioactive rare gas. [gas occupies spaces in the zeolite crystal lattice

    Energy Technology Data Exchange (ETDEWEB)

    Nagao, H; Miharada, H; Takiguchi, Y; Kanazawa, T; Soya, M

    1975-05-15

    A method is provided to prevent dispersion of radioactive rare gas atoms by sealing them in a pressurised state within zeolite and thereby confining them in position within the zeolite crystal lattice. Radioactive rare gas is separated from exhaust gas and concentrated by using a low temperature adsorption means or liquefaction distillation means and necessary accessory means, and then it is temporarily stored in a gas holder. When a predetermined quantity of storage is reached, the gas is led to a sealing tank containing zeolite heated to 300 to 400/sup 0/C and held at 3,000 to 4,000 atmospheres, and under this condition radioactive rare gas is brought to occupy the spaces in the zeolite crystal lattice. After equilibrium pressure is reached by the pressure in the tank at that temperature, the gas is cooled in the pressurised state down to room temperature. Subsequently, the rare gas remaining in the tank and duct is recovered by a withdrawal pump into the gas holder. Thereafter, the zeolite with radioactive rare gas sealed in it is taken out from the tank and sealed within a long period storage container, which is then housed in a predetermined place for storage.

  1. Observation of a commensurate array of flux chains in tilted flux lattices in Bi-Sr-Ca-Cu-O single crystals

    International Nuclear Information System (INIS)

    Bolle, C.A.; Gammel, P.L.; Grier, D.G.; Murray, C.A.; Bishop, D.J.; Mitzi, D.B.; Kapitulnik, A.

    1991-01-01

    We report the observation of a novel flux-lattice structure, a commensurate array of flux-line chains. Our experiments consist of the magnetic decoration of the flux lattices in single crystals of Ba-Sr-Ca-Cu-O where the magnetic field is applied at an angle with respect to the conducting planes. For a narrow range of angles, the equilibrium structure is one with uniformly spaced chains with a higher line density of vortices than the background lattice. Our observations are in qualitative agreement with theories which suggest that, in strongly anisotropic materials the vortices develop an attractive interaction in tilted magnetic fields

  2. A Lattice-Misfit-Dependent Damage Model for Non-linear Damage Accumulations Under Monotonous Creep in Single Crystal Superalloys

    Science.gov (United States)

    le Graverend, J.-B.

    2018-05-01

    A lattice-misfit-dependent damage density function is developed to predict the non-linear accumulation of damage when a thermal jump from 1050 °C to 1200 °C is introduced somewhere in the creep life. Furthermore, a phenomenological model aimed at describing the evolution of the constrained lattice misfit during monotonous creep load is also formulated. The response of the lattice-misfit-dependent plasticity-coupled damage model is compared with the experimental results obtained at 140 and 160 MPa on the first generation Ni-based single crystal superalloy MC2. The comparison reveals that the damage model is well suited at 160 MPa and less at 140 MPa because the transfer of stress to the γ' phase occurs for stresses above 150 MPa which leads to larger variations and, therefore, larger effects of the constrained lattice misfit on the lifetime during thermo-mechanical loading.

  3. Numerical investigation of flows in Czochralski crystal growth by an axisymmetric lattice Boltzmann method

    CERN Document Server

    Peng, Y; Chew, Y T; Qiu, J

    2003-01-01

    An alternative new method called lattice Boltzmann method (LBM) is applied in this work to simulate the flows in Czochralski crystal growth, which is one of the widely used prototypical systems for melt-crystal growth. The standard LBM can only be used in Cartesian coordinate system and we extend it to be applicable to this axisymmetric thermal flow problem, avoiding the use of three-dimensional LBM on Cartesian coordinate system. The extension is based on the following idea. By inserting position and time dependent source terms into the evolution equation of standard LBM, the continuity and NS equations on the cylindrical coordinate system can be recovered. Our extension is validated by its application to the benchmark problem suggested by Wheeler .

  4. Numerical investigation of flows in Czochralski crystal growth by an axisymmetric lattice Boltzmann method

    Science.gov (United States)

    Peng, Y.; Shu, C.; Chew, Y. T.; Qiu, J.

    2003-03-01

    An alternative new method called lattice Boltzmann method (LBM) is applied in this work to simulate the flows in Czochralski crystal growth, which is one of the widely used prototypical systems for melt-crystal growth. The standard LBM can only be used in Cartesian coordinate system and we extend it to be applicable to this axisymmetric thermal flow problem, avoiding the use of three-dimensional LBM on Cartesian coordinate system. The extension is based on the following idea. By inserting position and time dependent source terms into the evolution equation of standard LBM, the continuity and NS equations on the cylindrical coordinate system [1] can be recovered. Our extension is validated by its application to the benchmark problem suggested by Wheeler [2].

  5. Numerical investigation of flows in Czochralski crystal growth by an axisymmetric lattice Boltzmann method

    International Nuclear Information System (INIS)

    Peng, Y.; Shu, C.; Chew, Y.T.; Qiu, J.

    2003-01-01

    An alternative new method called lattice Boltzmann method (LBM) is applied in this work to simulate the flows in Czochralski crystal growth, which is one of the widely used prototypical systems for melt-crystal growth. The standard LBM can only be used in Cartesian coordinate system and we extend it to be applicable to this axisymmetric thermal flow problem, avoiding the use of three-dimensional LBM on Cartesian coordinate system. The extension is based on the following idea. By inserting position and time dependent source terms into the evolution equation of standard LBM, the continuity and NS equations on the cylindrical coordinate system can be recovered. Our extension is validated by its application to the benchmark problem suggested by Wheeler

  6. Lattice Boltzmann Simulation of Kinetic Isotope Effect During Snow Crystal Formation

    Science.gov (United States)

    Lu, G.; Depaolo, D. J.; Kang, Q.; Zhang, D.

    2007-12-01

    The isotopic composition of precipitation, especially that of snow, plays a special role in the global hydrological cycle and in reconstruction of past climates using polar ice cores. The fractionation of the major water isotope species (HHO, HDO, HHO-18) during ice crystal formation is critical to understanding the global distribution of isotopes in precipitation. Ice crystal growth in clouds is traditionally treated with a spherically-symmetric steady state diffusion model, with semi-empirical modifications added to account for ventilation and for complex crystal morphology. Although it is known that crystal growth rate, which depends largely on the degree of vapor over- saturation, determines crystal morphology, there are no quantitative models that relate morphology to the vapor saturation factor. Since kinetic (vapor phase diffusion-controlled) isotopic fractionation also depends on growth rate, there should be direct relationships between vapor saturation, crystal morphology, and crystal isotopic composition. We use a 2D lattice Boltzmann model to simulate diffusion-controlled ice crystal growth from vapor- oversaturated air. In the model, crystals grow solely according to the diffusive fluxes just above the crystal surfaces, and hence crystal morphology arises from the initial and boundary conditions in the model and does not need to be specified a priori. Crystal growth patterns can be varied between random growth and deterministic growth (along the maximum concentration gradient for example). The input parameters needed are the isotope- dependent vapor deposition rate constant (k) and the water vapor diffusivity in air (D). The values of both k and D can be computed from kinetic theory, and there are also experimentally determined values of D. The deduced values of k are uncertain to the extent that the condensation coefficient for ice is uncertain. The ratio D/k is a length (order 1 micron) that determines the minimum scale of dendritic growth features

  7. Physical Realization of von Neumann Lattices in Rotating Bose Gases with Dipole Interatomic Interactions.

    Science.gov (United States)

    Cheng, Szu-Cheng; Jheng, Shih-Da

    2016-08-22

    This paper reports a novel type of vortex lattice, referred to as a bubble crystal, which was discovered in rapidly rotating Bose gases with long-range interactions. Bubble crystals differ from vortex lattices which possess a single quantum flux per unit cell, while atoms in bubble crystals are clustered periodically and surrounded by vortices. No existing model is able to describe the vortex structure of bubble crystals; however, we identified a mathematical lattice, which is a subset of coherent states and exists periodically in the physical space. This lattice is called a von Neumann lattice, and when it possesses a single vortex per unit cell, it presents the same geometrical structure as an Abrikosov lattice. In this report, we extend the von Neumann lattice to one with an integral number of flux quanta per unit cell and demonstrate that von Neumann lattices well reproduce the translational properties of bubble crystals. Numerical simulations confirm that, as a generalized vortex, a von Neumann lattice can be physically realized using vortex lattices in rapidly rotating Bose gases with dipole interatomic interactions.

  8. The focusing effect of electromagnetic waves in two-dimensional photonic crystals with gradually varying lattice constant

    Directory of Open Access Journals (Sweden)

    F Bakhshi Garmi

    2016-02-01

    Full Text Available In this paper we studied the focusing effect of electromagnetic wave in the two-dimensional graded photonic crystal consisting of Silicon rods in the air background with gradually varying lattice constant. The results showed that graded photonic crystal can focus wide beams on a narrow area at frequencies near the lower edge of the band gap, where equal frequency contours are not concave. For calculation of photonic band structure and equal frequency contours, we have used plane wave expansion method and revised plane wave expansion method, respectively. The calculation of the electric and magnetic fields was performed by finite difference time domain method.

  9. Synthesizing lattice structures in phase space

    International Nuclear Information System (INIS)

    Guo, Lingzhen; Marthaler, Michael

    2016-01-01

    In one dimensional systems, it is possible to create periodic structures in phase space through driving, which is called phase space crystals (Guo et al 2013 Phys. Rev. Lett. 111 205303). This is possible even if for particles trapped in a potential without periodicity. In this paper we discuss ultracold atoms in a driven optical lattice, which is a realization of such a phase space crystals. The corresponding lattice structure in phase space is complex and contains rich physics. A phase space lattice differs fundamentally from a lattice in real space, because its coordinate system, i.e., phase space, has a noncommutative geometry, which naturally provides an artificial gauge (magnetic) field. We study the behavior of the quasienergy band structure and investigate the dissipative dynamics. Synthesizing lattice structures in phase space provides a new platform to simulate the condensed matter phenomena and study the intriguing phenomena of driven systems far away from equilibrium. (paper)

  10. Vortex lattice structures in YNi2B2C

    International Nuclear Information System (INIS)

    Yethiraj, M.; Paul, D.M.; Tomy, C.V.; Forgan, E.M.

    1997-01-01

    The authors observe a flux lattice with square symmetry in the superconductor YNi 2 B 2 C when the applied field is parallel to the c-axis of the crystal. A square lattice observed previously in the isostructural magnetic analog ErNi 2 B 2 C was attributed to the interaction between magnetic order in that system and the flux lattice. Since the Y-based compound does not order magnetically, it is clear that the structure of the flux lattice is unrelated to magnetic order. In fact, they show that the flux lines have a square cross-section when the applied field is parallel to the c-axis of the crystal, since the measured penetration depth along the 100 crystal direction is larger than the penetration depth along the 110 by approximately 60%. This is the likely reason for the square symmetry of the lattice. Although they find considerable disorder in the arrangement of the flux lines at 2.5T, no melting of the vortex lattice was observed

  11. Lattice vibrations in α-boron

    International Nuclear Information System (INIS)

    Richter, W.

    1976-01-01

    α-rhombohedral boron is the simplest boron modification, with only 12 atoms per unit cell. The boron atoms are arranged in B 12 icosahedra, which are centered at the lattice points of a primitive rhombohedral lattice. The icosahedra are slightly deformed, as the five-fold symmetry of the ideal icosahedron is incompatible with any crystal structure. The lattice dynamics of α-boron are discussed in terms of the model developed by Weber and Thorpe. (Auth.)

  12. Deformed lattice states in a Zn{sub 0.9}V{sub 0.1}Se cubic crystal

    Energy Technology Data Exchange (ETDEWEB)

    Maksimov, V. I., E-mail: kokailo@rambler.ru; Dubinin, S. F.; Surkova, T. P.; Parkhomenko, V. D. [Russian Academy of Sciences, Institute of Metal Physics, Ural Branch (Russian Federation)

    2016-01-15

    Neutron scattering patterns have been recorded for a bulk Zn{sub 0.9}V{sub 0.1}Se cubic crystal at room temperature; they are indicative of macroscopic deformation in the material and its significant inhomogeneity. Specific features of the previously found state, preceding the fcc ↔ hcp structural transformation of the sphalerite lattice upon strong destabilization induced by vanadium ions in the doped ZnSe matrix, are discussed taking into account the data obtained.

  13. Lattice Waves, Spin Waves, and Neutron Scattering

    Science.gov (United States)

    Brockhouse, Bertram N.

    1962-03-01

    Use of neutron inelastic scattering to study the forces between atoms in solids is treated. One-phonon processes and lattice vibrations are discussed, and experiments that verified the existence of the quantum of lattice vibrations, the phonon, are reviewed. Dispersion curves, phonon frequencies and absorption, and models for dispersion calculations are discussed. Experiments on the crystal dynamics of metals are examined. Dispersion curves are presented and analyzed; theory of lattice dynamics is considered; effects of Fermi surfaces on dispersion curves; electron-phonon interactions, electronic structure influence on lattice vibrations, and phonon lifetimes are explored. The dispersion relation of spin waves in crystals and experiments in which dispersion curves for spin waves in Co-Fe alloy and magnons in magnetite were obtained and the reality of the magnon was demonstrated are discussed. (D.C.W)

  14. Transmission Electron Microscope Measures Lattice Parameters

    Science.gov (United States)

    Pike, William T.

    1996-01-01

    Convergent-beam microdiffraction (CBM) in thermionic-emission transmission electron microscope (TEM) is technique for measuring lattice parameters of nanometer-sized specimens of crystalline materials. Lattice parameters determined by use of CBM accurate to within few parts in thousand. Technique developed especially for use in quantifying lattice parameters, and thus strains, in epitaxial mismatched-crystal-lattice multilayer structures in multiple-quantum-well and other advanced semiconductor electronic devices. Ability to determine strains in indivdual layers contributes to understanding of novel electronic behaviors of devices.

  15. Physical Realization of von Neumann Lattices in Rotating Bose Gases with Dipole Interatomic Interactions

    OpenAIRE

    Cheng, Szu-Cheng; Jheng, Shih-Da

    2016-01-01

    This paper reports a novel type of vortex lattice, referred to as a bubble crystal, which was discovered in rapidly rotating Bose gases with long-range interactions. Bubble crystals differ from vortex lattices which possess a single quantum flux per unit cell, while atoms in bubble crystals are clustered periodically and surrounded by vortices. No existing model is able to describe the vortex structure of bubble crystals; however, we identified a mathematical lattice, which is a subset of coh...

  16. Thermal conductivity prediction of nanoscale phononic crystal slabs using a hybrid lattice dynamics-continuum mechanics technique

    Directory of Open Access Journals (Sweden)

    Charles M. Reinke

    2011-12-01

    Full Text Available Recent work has demonstrated that nanostructuring of a semiconductor material to form a phononic crystal (PnC can significantly reduce its thermal conductivity. In this paper, we present a classical method that combines atomic-level information with the application of Bloch theory at the continuum level for the prediction of the thermal conductivity of finite-thickness PnCs with unit cells sized in the micron scale. Lattice dynamics calculations are done at the bulk material level, and the plane-wave expansion method is implemented at the macrosale PnC unit cell level. The combination of the lattice dynamics-based and continuum mechanics-based dispersion information is then used in the Callaway-Holland model to calculate the thermal transport properties of the PnC. We demonstrate that this hybrid approach provides both accurate and efficient predictions of the thermal conductivity.

  17. Synthesis of spatially variant lattices.

    Science.gov (United States)

    Rumpf, Raymond C; Pazos, Javier

    2012-07-02

    It is often desired to functionally grade and/or spatially vary a periodic structure like a photonic crystal or metamaterial, yet no general method for doing this has been offered in the literature. A straightforward procedure is described here that allows many properties of the lattice to be spatially varied at the same time while producing a final lattice that is still smooth and continuous. Properties include unit cell orientation, lattice spacing, fill fraction, and more. This adds many degrees of freedom to a design such as spatially varying the orientation to exploit directional phenomena. The method is not a coordinate transformation technique so it can more easily produce complicated and arbitrary spatial variance. To demonstrate, the algorithm is used to synthesize a spatially variant self-collimating photonic crystal to flow a Gaussian beam around a 90° bend. The performance of the structure was confirmed through simulation and it showed virtually no scattering around the bend that would have arisen if the lattice had defects or discontinuities.

  18. Crystal orientation and sample preparation effects on sputtering and lattice damage in 100 keV self-irradiated copper

    International Nuclear Information System (INIS)

    Sprague, J.A.; Malmberg, P.R.; Reynolds, G.W.; Lambert, J.M.; Treado, P.A.; Vincenz, A.M.

    1987-01-01

    Sputtering yields and angular distributions have been measured as functions of sample preparation techniques and incident ion-beam orientation with respect to the crystal axes for 100 keV Cu-ion beams on Cu crystals and polycrystalline samples. The angular distributions have structure requiring an nth order cosine with two Gaussians superimposed to fit the data; strong peaking is observed near the backscatter direction. The yield is dependent on the beam to crystal and beam to polycrystalline-rod axis orientation, on the grain size of the polycrystals and on sample-preparation techniques. Yield measurements vary by as much as a factor of 4. Lattice-damage differences, measured with alpha particle channeling, are much smaller and seem to be saturated by fluences of the order of 1x10 16 /cm 2 . (orig.)

  19. Lattice parameters guide superconductivity in iron-arsenides

    Science.gov (United States)

    Konzen, Lance M. N.; Sefat, Athena S.

    2017-03-01

    The discovery of superconducting materials has led to their use in technological marvels such as magnetic-field sensors in MRI machines, powerful research magnets, short transmission cables, and high-speed trains. Despite such applications, the uses of superconductors are not widespread because they function much below room-temperature, hence the costly cooling. Since the discovery of Cu- and Fe-based high-temperature superconductors (HTS), much intense effort has tried to explain and understand the superconducting phenomenon. While no exact explanations are given, several trends are reported in relation to the materials basis in magnetism and spin excitations. In fact, most HTS have antiferromagnetic undoped ‘parent’ materials that undergo a superconducting transition upon small chemical substitutions in them. As it is currently unclear which ‘dopants’ can favor superconductivity, this manuscript investigates crystal structure changes upon chemical substitutions, to find clues in lattice parameters for the superconducting occurrence. We review the chemical substitution effects on the crystal lattice of iron-arsenide-based crystals (2008 to present). We note that (a) HTS compounds have nearly tetragonal structures with a-lattice parameter close to 4 Å, and (b) superconductivity can depend strongly on the c-lattice parameter changes with chemical substitution. For example, a decrease in c-lattice parameter is required to induce ‘in-plane’ superconductivity. The review of lattice parameter trends in iron-arsenides presented here should guide synthesis of new materials and provoke theoretical input, giving clues for HTS.

  20. Pinning potentials of the vortex lattice in YBCO crystals in the peak effect region

    International Nuclear Information System (INIS)

    Pasquini, G.; Bekeris, V.

    2004-01-01

    Memory effects in the dynamic response of the vortex lattice (VL) in type II superconductors and its relationship with the controversial peak effect, have attracted great interest for a long time. In the last years, these features have been observed in YBCO single crystals, with the DC magnetic field tilted away from the twin planes and were related with robust dynamical states characterized by different degrees of mobility. Recently, we reported that the previous dynamical history of the VL can modify not only its dynamic response, but can even modify its static properties as well. In the present work, we try to understand the nature of the peak effect in YBCO crystals by sensing the effective AC penetration depth in the linear Campbell regime. We report history dependent effective pinning potential well curvatures and study the stability of the different static configurations. Interestingly, we observe that the more pinned VL configuration is not the more stable. Results agree with a dynamic scenario undergoing the Peak Effect

  1. Localized structures in Kagome lattices

    Energy Technology Data Exchange (ETDEWEB)

    Saxena, Avadh B [Los Alamos National Laboratory; Bishop, Alan R [Los Alamos National Laboratory; Law, K J H [UNIV OF MASSACHUSETTS; Kevrekidis, P G [UNIV OF MASSACHUSETTS

    2009-01-01

    We investigate the existence and stability of gap vortices and multi-pole gap solitons in a Kagome lattice with a defocusing nonlinearity both in a discrete case and in a continuum one with periodic external modulation. In particular, predictions are made based on expansion around a simple and analytically tractable anti-continuum (zero coupling) limit. These predictions are then confirmed for a continuum model of an optically-induced Kagome lattice in a photorefractive crystal obtained by a continuous transformation of a honeycomb lattice.

  2. Spatially resolved resistivity near the vortex lattice phase transition in Bi 2Sr 2CaCu 2O 8+δ single crystals

    Science.gov (United States)

    Berseth, V.; Indenbom, M. V.; van der Beek, C. J.; D'Anna, G.; Benoit, W.

    1997-08-01

    Using a multiterminal contact configuration, we investigate the local variations of the resistivity drop near the vortex lattice first order phase transition in a very homogeneous Bi2Sr2CaCu2O8+δ (BSCCO) single crystal.

  3. Lattice sums then and now

    CERN Document Server

    Borwein, J M; McPhedran, R C

    2013-01-01

    The study of lattice sums began when early investigators wanted to go from mechanical properties of crystals to the properties of the atoms and ions from which they were built (the literature of Madelung's constant). A parallel literature was built around the optical properties of regular lattices of atoms (initiated by Lord Rayleigh, Lorentz and Lorenz). For over a century many famous scientists and mathematicians have delved into the properties of lattices, sometimes unwittingly duplicating the work of their predecessors. Here, at last, is a comprehensive overview of the substantial body of

  4. Great Disparity in Photoluminesence Quantum Yields of Colloidal CsPbBr3 Nanocrystals with Varied Shape: The Effect of Crystal Lattice Strain.

    Science.gov (United States)

    Zhao, Jiangtao; Liu, Mei; Fang, Li; Jiang, Shenlong; Zhou, Jingtian; Ding, Huaiyi; Huang, Hongwen; Wen, Wen; Luo, Zhenlin; Zhang, Qun; Wang, Xiaoping; Gao, Chen

    2017-07-06

    Understanding the big discrepancy in the photoluminesence quantum yields (PLQYs) of nanoscale colloidal materials with varied morphologies is of great significance to its property optimization and functional application. Using different shaped CsPbBr 3 nanocrystals with the same fabrication processes as model, quantitative synchrotron radiation X-ray diffraction analysis reveals the increasing trend in lattice strain values of the nanocrystals: nanocube, nanoplate, nanowire. Furthermore, transient spectroscopic measurements reveal the same trend in the defect quantities of these nanocrystals. These experimental results unambiguously point out that large lattice strain existing in CsPbBr 3 nanoparticles induces more crystal defects and thus decreases the PLQY, implying that lattice strain is a key factor other than the surface defect to dominate the PLQY of colloidal photoluminesence materials.

  5. Symmetry Groups of the Austenite Lattice and Construction of Self-Accommodation Complexes of Martensite Crystals in Alloys with the Shape-Memory Effect

    Science.gov (United States)

    Khundjua, A. G.; Ptitsin, A. G.; Brovkina, E. A.

    2018-01-01

    The internal structure of experimentally observed self-accommodation complexes of martensite crystals, which is determined by the system of twinning planes, is studied in this work. The direct correlation of the construction type of the complexes with the subgroups of the austenite lattice symmetry group is shown.

  6. Design and optical characterization of high-Q guided-resonance modes in the slot-graphite photonic crystal lattice.

    Science.gov (United States)

    Martínez, Luis Javier; Huang, Ningfeng; Ma, Jing; Lin, Chenxi; Jaquay, Eric; Povinelli, Michelle L

    2013-12-16

    A new photonic crystal structure is generated by using a regular graphite lattice as the base and adding a slot in the center of each unit cell to enhance field confinement. The theoretical Q factor in an ideal structure is over 4 × 10(5). The structure was fabricated on a silicon-on-insulator wafer and optically characterized by transmission spectroscopy. The resonance wavelength and quality factor were measured as a function of slot height. The measured trends show good agreement with simulation.

  7. Crystal Structure of Chicken γS-Crystallin Reveals Lattice Contacts with Implications for Function in the Lens and the Evolution of the βγ-Crystallins.

    Science.gov (United States)

    Sagar, Vatsala; Chaturvedi, Sumit K; Schuck, Peter; Wistow, Graeme

    2017-07-05

    Previous attempts to crystallize mammalian γS-crystallin were unsuccessful. Native L16 chicken γS crystallized avidly while the Q16 mutant did not. The X-ray structure for chicken γS at 2.3 Å resolution shows the canonical structure of the superfamily plus a well-ordered N arm aligned with a β sheet of a neighboring N domain. L16 is also in a lattice contact, partially shielded from solvent. Unexpectedly, the major lattice contact matches a conserved interface (QR) in the multimeric β-crystallins. QR shows little conservation of residue contacts, except for one between symmetry-related tyrosines, but molecular dipoles for the proteins with QR show striking similarities while other γ-crystallins differ. In γS, QR has few hydrophobic contacts and features a thin layer of tightly bound water. The free energy of QR is slightly repulsive and analytical ultracentrifugation confirms no dimerization in solution. The lattice contacts suggest how γ-crystallins allow close packing without aggregation in the crowded environment of the lens. Published by Elsevier Ltd.

  8. Lattice strain accompanying the colossal magnetoresistance effect in EuB6.

    Science.gov (United States)

    Manna, Rudra Sekhar; Das, Pintu; de Souza, Mariano; Schnelle, Frank; Lang, Michael; Müller, Jens; von Molnár, Stephan; Fisk, Zachary

    2014-08-08

    The coupling of magnetic and electronic degrees of freedom to the crystal lattice in the ferromagnetic semimetal EuB(6), which exhibits a complex ferromagnetic order and a colossal magnetoresistance effect, is studied by high-resolution thermal expansion and magnetostriction experiments. EuB(6) may be viewed as a model system, where pure magnetism-tuned transport and the response of the crystal lattice can be studied in a comparatively simple environment, i.e., not influenced by strong crystal-electric field effects and Jahn-Teller distortions. We find a very large lattice response, quantified by (i) the magnetic Grüneisen parameter, (ii) the spontaneous strain when entering the ferromagnetic region, and (iii) the magnetostriction in the paramagnetic temperature regime. Our analysis reveals that a significant part of the lattice effects originates in the magnetically driven delocalization of charge carriers, consistent with the scenario of percolating magnetic polarons. A strong effect of the formation and dynamics of local magnetic clusters on the lattice parameters is suggested to be a general feature of colossal magnetoresistance materials.

  9. Lattice location of platinum ions implanted into single crystal zirconia and their annealing behaviour

    Energy Technology Data Exchange (ETDEWEB)

    Cao, D X [Royal Melbourne Inst. of Tech., VIC (Australia); Sood, D K [Academia Sinica, Shanghai, SH (China). Shanghai Inst. of Nuclear Research; Brown, I G [Lawrence Berkeley Lab., CA (United States)

    1994-12-31

    Single crystal samples of (100) oriented cubic zirconia stabilised with 9.5 mol % yttria were implanted with platinum ions, using a metal vapour vacuum arc (MEVVA) high current ion implanter, to a nominal dose of 1x10{sup 17} ions/cm{sup 2}. The implanted samples were annealed isothermally in air ambient at 1200 deg C, from 1-24 hours. Rutherford Backscattering Spectrometry and Channeling (RBSC) of 2 MeV He ions are employed to determine depth distributions of ion damage, Pt ions and substitutionality of Pt ions before and after annealing. The damage behaviour, Pt migration and lattice location are discussed in terms of metastable phase formation and solid solubility considerations. 7 refs., 3 figs.

  10. Lattice location of platinum ions implanted into single crystal zirconia and their annealing behaviour

    Energy Technology Data Exchange (ETDEWEB)

    Cao, D.X. [Royal Melbourne Inst. of Tech., VIC (Australia); Sood, D.K. [Academia Sinica, Shanghai, SH (China). Shanghai Inst. of Nuclear Research; Brown, I.G. [Lawrence Berkeley Lab., CA (United States)

    1993-12-31

    Single crystal samples of (100) oriented cubic zirconia stabilised with 9.5 mol % yttria were implanted with platinum ions, using a metal vapour vacuum arc (MEVVA) high current ion implanter, to a nominal dose of 1x10{sup 17} ions/cm{sup 2}. The implanted samples were annealed isothermally in air ambient at 1200 deg C, from 1-24 hours. Rutherford Backscattering Spectrometry and Channeling (RBSC) of 2 MeV He ions are employed to determine depth distributions of ion damage, Pt ions and substitutionality of Pt ions before and after annealing. The damage behaviour, Pt migration and lattice location are discussed in terms of metastable phase formation and solid solubility considerations. 7 refs., 3 figs.

  11. Lattice continuum and diffusional creep.

    Science.gov (United States)

    Mesarovic, Sinisa Dj

    2016-04-01

    Diffusional creep is characterized by growth/disappearance of lattice planes at the crystal boundaries that serve as sources/sinks of vacancies, and by diffusion of vacancies. The lattice continuum theory developed here represents a natural and intuitive framework for the analysis of diffusion in crystals and lattice growth/loss at the boundaries. The formulation includes the definition of the Lagrangian reference configuration for the newly created lattice, the transport theorem and the definition of the creep rate tensor for a polycrystal as a piecewise uniform, discontinuous field. The values associated with each crystalline grain are related to the normal diffusional flux at grain boundaries. The governing equations for Nabarro-Herring creep are derived with coupled diffusion and elasticity with compositional eigenstrain. Both, bulk diffusional dissipation and boundary dissipation accompanying vacancy nucleation and absorption, are considered, but the latter is found to be negligible. For periodic arrangements of grains, diffusion formally decouples from elasticity but at the cost of a complicated boundary condition. The equilibrium of deviatorically stressed polycrystals is impossible without inclusion of interface energies. The secondary creep rate estimates correspond to the standard Nabarro-Herring model, and the volumetric creep is small. The initial (primary) creep rate is estimated to be much larger than the secondary creep rate.

  12. Lattice location of O{sup 18} in ion implanted Fe crystals by Rutherford backscattering spectrometry, channeling and nuclear reaction analysis

    Energy Technology Data Exchange (ETDEWEB)

    Vairavel, Mathayan; Sundaravel, Balakrishnan, E-mail: bsundar@igcar.gov.in; Panigrahi, Binaykumar

    2016-09-15

    There are contradictory theoretical predictions of lattice location of oxygen interstitial atom at tetrahedral and octahedral interstices in bcc Fe. For validating these predictions, 300 keV O{sup 18} ions with fluence of 5 × 10{sup 15} ions/cm{sup 2} are implanted into bcc Fe single crystals at room temperature and annealed at 400 °C. The Rutherford backscattering spectrometry (RBS) and nuclear reaction analysis (NRA)/channeling measurements are carried out with 850 keV protons. The lattice location of implanted O{sup 18} is analysed using the α-particles yield from O{sup 18}(p,α)N{sup 15} nuclear reaction. The tilt angular scans of α-particle yield along 〈110〉 and 〈100〉 axial directions are performed at room temperature. Lattice location of O{sup 18} is found to be at tetrahedral interstitial site by comparing the experimental scan with simulated scans using FLUX7 software.

  13. Prediction of molecular crystal structures

    International Nuclear Information System (INIS)

    Beyer, Theresa

    2001-01-01

    The ab initio prediction of molecular crystal structures is a scientific challenge. Reliability of first-principle prediction calculations would show a fundamental understanding of crystallisation. Crystal structure prediction is also of considerable practical importance as different crystalline arrangements of the same molecule in the solid state (polymorphs)are likely to have different physical properties. A method of crystal structure prediction based on lattice energy minimisation has been developed in this work. The choice of the intermolecular potential and of the molecular model is crucial for the results of such studies and both of these criteria have been investigated. An empirical atom-atom repulsion-dispersion potential for carboxylic acids has been derived and applied in a crystal structure prediction study of formic, benzoic and the polymorphic system of tetrolic acid. As many experimental crystal structure determinations at different temperatures are available for the polymorphic system of paracetamol (acetaminophen), the influence of the variations of the molecular model on the crystal structure lattice energy minima, has also been studied. The general problem of prediction methods based on the assumption that the experimental thermodynamically stable polymorph corresponds to the global lattice energy minimum, is that more hypothetical low lattice energy structures are found within a few kJ mol -1 of the global minimum than are likely to be experimentally observed polymorphs. This is illustrated by the results for molecule I, 3-oxabicyclo(3.2.0)hepta-1,4-diene, studied for the first international blindtest for small organic crystal structures organised by the Cambridge Crystallographic Data Centre (CCDC) in May 1999. To reduce the number of predicted polymorphs, additional factors to thermodynamic criteria have to be considered. Therefore the elastic constants and vapour growth morphologies have been calculated for the lowest lattice energy

  14. Prediction of molecular crystal structures

    Energy Technology Data Exchange (ETDEWEB)

    Beyer, Theresa

    2001-07-01

    The ab initio prediction of molecular crystal structures is a scientific challenge. Reliability of first-principle prediction calculations would show a fundamental understanding of crystallisation. Crystal structure prediction is also of considerable practical importance as different crystalline arrangements of the same molecule in the solid state (polymorphs)are likely to have different physical properties. A method of crystal structure prediction based on lattice energy minimisation has been developed in this work. The choice of the intermolecular potential and of the molecular model is crucial for the results of such studies and both of these criteria have been investigated. An empirical atom-atom repulsion-dispersion potential for carboxylic acids has been derived and applied in a crystal structure prediction study of formic, benzoic and the polymorphic system of tetrolic acid. As many experimental crystal structure determinations at different temperatures are available for the polymorphic system of paracetamol (acetaminophen), the influence of the variations of the molecular model on the crystal structure lattice energy minima, has also been studied. The general problem of prediction methods based on the assumption that the experimental thermodynamically stable polymorph corresponds to the global lattice energy minimum, is that more hypothetical low lattice energy structures are found within a few kJ mol{sup -1} of the global minimum than are likely to be experimentally observed polymorphs. This is illustrated by the results for molecule I, 3-oxabicyclo(3.2.0)hepta-1,4-diene, studied for the first international blindtest for small organic crystal structures organised by the Cambridge Crystallographic Data Centre (CCDC) in May 1999. To reduce the number of predicted polymorphs, additional factors to thermodynamic criteria have to be considered. Therefore the elastic constants and vapour growth morphologies have been calculated for the lowest lattice energy

  15. Influence of dislocations in solid-phase crystal lattices on structure and properties of an WC-9Co alloy

    International Nuclear Information System (INIS)

    Grewe, H.

    1976-01-01

    After theoretical considerations about evaluation of degree of dislocation concentration in crystal lattices two tungsten-carbide-powders are characterized by chemical reaction behaviour. The hard metal grades produced from the two carbide powders are tested by material and tool life investigation. The tungsten carbide powder with lower level of dislocation-concentration leads to a hardmetall-alloy with an equal microstructure and with favourable properties, especially with a good toughness and with an interesting tool life. (orig.) [de

  16. Rapid synthesis of nitrogen doped titania with mixed crystal lattice via microwave-assisted hydrothermal method

    International Nuclear Information System (INIS)

    Zhang Peilin; Liu Bin; Yin Shu; Wang Yuhua; Petrykin, Valery; Kakihana, Masato; Sato, Tsugio

    2009-01-01

    A microwave-assisted hydrothermal method was employed to synthesize nitrogen doped titania nanoparticles. Due to the high heating efficiency of microwave, rapid synthesis could be achieved in comparison with the conventional oven. Mixed crystal lattice was found existing in the obtained product, and the phase transformation behaviour under calcination was studied by XRD measurement together with Raman spectroscopy in details. The obtained nitrogen doped titania showed high specific surface area, about 300 m 2 g -1 . Photocatalytic activity in destructing NO x gas by the prepared sample exceeded that of commercial titania (P 25) or nitrogen doped titania synthesized by conventional hydrothermal method, under both visible-light and ultraviolet-light irradiation.

  17. Magnetic field effects on ultrafast lattice compression dynamics of Si(111) crystal when excited by linearly-polarized femtosecond laser pulses

    Science.gov (United States)

    Hatanaka, Koji; Odaka, Hideho; Ono, Kimitoshi; Fukumura, Hiroshi

    2007-03-01

    Time-resolved X-ray diffraction measurements of Si (111) single crystal are performed when excited by linearly-polarized femtosecond laser pulses (780 nm, 260 fs, negatively-chirped, 1 kHz) under a magnetic field (0.47 T). Laser fluence on the sample surface is 40 mJ/cm^2, which is enough lower than the ablation threshold at 200 mJ/cm^2. Probing X-ray pulses of iron characteristic X-ray lines at 0.193604 and 0.193998 nm are generated by focusing femtosecond laser pulses onto audio-cassette tapes in air. Linearly-polarized femtosecond laser pulse irradiation onto Si(111) crystal surface induces transient lattice compression in the picosecond time range, which is confirmed by transient angle shift of X-ray diffraction to higher angles. Little difference of compression dynamics is observed when the laser polarization is changed from p to s-pol. without a magnetic field. On the other hand, under a magnetic field, the lattice compression dynamics changes when the laser is p-polarized which is vertical to the magnetic field vector. These results may be assigned to photo-carrier formation and energy-band distortion.

  18. Lattice Boltzmann Simulation of Water Isotope Fractionation During Growth of Ice Crystals in Clouds

    Science.gov (United States)

    Lu, G.; Depaolo, D.; Kang, Q.; Zhang, D.

    2006-12-01

    The isotopic composition of precipitation, especially that of snow, plays a special role in the global hydrological cycle and in reconstruction of past climates using polar ice cores. The fractionation of the major water isotope species (HHO, HDO, HHO-18) during ice crystal formation is critical to understanding the global distribution of isotopes in precipitation. Ice crystal growth in clouds is traditionally treated with a spherically- symmetric steady state diffusion model, with semi-empirical modifications added to account for ventilation and for complex crystal morphology. Although it is known that crystal growth rate, which depends largely on the degree of vapor over-saturation, determines crystal morphology, there are no existing quantitative models that directly relate morphology to the vapor saturation factor. Since kinetic (vapor phase diffusion-controlled) isotopic fractionation also depends on growth rate, there should be a direct relationship between vapor saturation, crystal morphology, and crystal isotopic composition. We use a 2D Lattice-Boltzmann model to simulate diffusion-controlled ice crystal growth from vapor- oversaturated air. In the model, crystals grow solely according to the diffusive fluxes just above the crystal surfaces, and hence crystal morphology arises from the initial and boundary conditions in the model and does not need to be specified a priori. The input parameters needed are the isotope-dependent vapor deposition rate constant (k) and the water vapor diffusivity in air (D). The values of both k and D can be computed from kinetic theory, and there are also experimentally determined values of D. The deduced values of k are uncertain to the extent that the sticking coefficient (or accommodation coefficient) for ice is uncertain. The ratio D/k is a length that determines the minimum scale of dendritic growth features and allows us to scale the numerical calculations to atmospheric conditions using a dimensionless Damkohler number

  19. Electronic bandstructure of an incommensurate crystal

    International Nuclear Information System (INIS)

    Rasing, T.

    1984-06-01

    The consequences of an incommensurate lattice modulation on the electronic energy levels have been studied by optical transmission experiments on Rb 2 ZnBr 4 . The results are analyzed with a simple tight-binding model in which the superspace symmetry of the crystal is taken into account. The lattice translational symmetry of crystalline matter leads to the well known concepts of the Brillouin zones, Bloch electrons, phonons and the like. In a crystal where the lattice is periodically distorted with a period that is incommensurate with the underlying lattice, this translational symmetry is broken. Nonetheless, incommensurate crystals are perfectly ordered and can be described by higher dimensional so-called superspace groups. In this paper we will show how this superspace approach provides a natural framework to understand their electronic bandstructure as well. 5 references, 3 figures

  20. Laser guiding of cold atoms in photonic crystals

    International Nuclear Information System (INIS)

    Tarasishin, A V; Magnitskiy, Sergey A; Shuvaev, V A; Zheltikov, Aleksei M

    2000-01-01

    The possibility of using photonic crystals with a lattice defect for the laser guiding of cold atoms is analysed. We have found a configuration of a photonic-crystal lattice and a defect ensuring the distribution of a potential in the defect mode of the photonic crystal allowing the guiding of cold atoms along the defect due to the dipole force acting on atoms. Based on quantitative estimates, we have demonstrated that photonic crystals with a lattice defect permit the guiding of atoms with much higher transverse temperatures and a much higher transverse localisation degree than in the case of hollow-core fibres. (laser applications and other topics in quantum electronics)

  1. First-Principles Lattice Dynamics Method for Strongly Anharmonic Crystals

    Science.gov (United States)

    Tadano, Terumasa; Tsuneyuki, Shinji

    2018-04-01

    We review our recent development of a first-principles lattice dynamics method that can treat anharmonic effects nonperturbatively. The method is based on the self-consistent phonon theory, and temperature-dependent phonon frequencies can be calculated efficiently by incorporating recent numerical techniques to estimate anharmonic force constants. The validity of our approach is demonstrated through applications to cubic strontium titanate, where overall good agreement with experimental data is obtained for phonon frequencies and lattice thermal conductivity. We also show the feasibility of highly accurate calculations based on a hybrid exchange-correlation functional within the present framework. Our method provides a new way of studying lattice dynamics in severely anharmonic materials where the standard harmonic approximation and the perturbative approach break down.

  2. Applications of X-ray fluorescence holography to determine local lattice distortions

    International Nuclear Information System (INIS)

    Hayashi, Kouichi; Happo, Naohisa; Hosokawa, Shinya

    2014-01-01

    Highlights: • We summarized topics of X-ray fluorescence holography focused on the local lattice distortions. • We found details of behaviors of nearest neighbor atoms around dopants. • We found the average distributions of the atoms at the individual sites in mixed crystals. • Distorted and undistorted sires sometimes coexist in a same mixed crystal. - Abstract: X-ray fluorescence holography (XFH) is a method for investigating atomic order up to the medium ranges, and can provide 3D atomic images around specific elements within a radius of nm order. In addition to these characteristics, XFH is sensitive to positional fluctuations of atoms, and therefore it is useful for characterizing the local lattice distortions around specific elements. We have applied XFH to dopants and mixed crystals. We found interesting features in local lattice distortions, such as the displacements of first-neighbor atoms around dopants, far-sighted views of the atomistic fluctuations in mixed crystals, and the coexistence of distorted/undistorted sites in the same material

  3. Dramatic Improvement of Crystal Quality for Low-temperature-grown Rabbit Muscle Aldolase

    Energy Technology Data Exchange (ETDEWEB)

    Park, H.; Rangarajan, E; Sygusch, J; Izard, T

    2010-01-01

    Rabbit muscle aldolase (RMA) was crystallized in complex with the low-complexity domain (LC4) of sorting nexin 9. Monoclinic crystals were obtained at room temperature that displayed large mosaicity and poor X-ray diffraction. However, orthorhombic RMA-LC4 crystals grown at 277 K under similar conditions exhibited low mosaicity, allowing data collection to 2.2 {angstrom} Bragg spacing and structure determination. It was concluded that the improvement of crystal quality as indicated by the higher resolution of the new RMA-LC4 complex crystals was a consequence of the introduction of new lattice contacts at lower temperature. The lattice contacts corresponded to an increased number of interactions between high-entropy side chains that mitigate the lattice strain incurred upon cryocooling and accompanying mosaic spread increases. The thermodynamically unfavorable immobilization of high-entropy side chains used in lattice formation was compensated by an entropic increase in the bulk-solvent content owing to the greater solvent content of the crystal lattice.

  4. Dramatic improvement of crystal quality for low-temperature-grown rabbit muscle aldolase.

    Science.gov (United States)

    Park, Hajeung; Rangarajan, Erumbi S; Sygusch, Jurgen; Izard, Tina

    2010-05-01

    Rabbit muscle aldolase (RMA) was crystallized in complex with the low-complexity domain (LC4) of sorting nexin 9. Monoclinic crystals were obtained at room temperature that displayed large mosaicity and poor X-ray diffraction. However, orthorhombic RMA-LC4 crystals grown at 277 K under similar conditions exhibited low mosaicity, allowing data collection to 2.2 A Bragg spacing and structure determination. It was concluded that the improvement of crystal quality as indicated by the higher resolution of the new RMA-LC4 complex crystals was a consequence of the introduction of new lattice contacts at lower temperature. The lattice contacts corresponded to an increased number of interactions between high-entropy side chains that mitigate the lattice strain incurred upon cryocooling and accompanying mosaic spread increases. The thermodynamically unfavorable immobilization of high-entropy side chains used in lattice formation was compensated by an entropic increase in the bulk-solvent content owing to the greater solvent content of the crystal lattice.

  5. Microprobe channeling analysis of pyrite crystals

    International Nuclear Information System (INIS)

    Jamieson, D.N.; Ryan, C.G.

    1992-01-01

    Nuclear microprobe analysis has provided much useful information about the composition of microscopic inclusions in minerals, mainly through the use of Particle Induced X-ray Emission (PIXE). However this technique, while powerful, does not provide any direct information about the chemical state, in particular the lattice location, of the elements in the mineral. This information is often of crucial importance in understanding the ore genesis. The technique of ion channeling may be used to identify lattice location, but many minerals occur as microscopic crystals. Therefore it is necessary to utilize a nuclear microprobe with the technique of Channeling Contrast Microscopy (CCM). As many minerals contain interesting trace elements, it is necessary to measure both the yield of backscattered particles and the induced x-rays to get a clear picture of the lattice location of the elements in the crystal. CCM with PIXE was used to analyse natural pyrite crystals containing a variety of substitutional and non-substitutional elements and natural pyrite crystals from a gold bearing ore. In the latter case, evidence was obtained for two habits for Au in the 400 μm crystals: one as inclusions of Au rich minerals, the other substituted on the pyrite lattice sites. 31 refs., 3 tabs., 6 figs

  6. Internal space decimation for lattice gauge theories

    International Nuclear Information System (INIS)

    Flyvbjerg, H.

    1984-01-01

    By a systematic decimation of internal space lattice gauge theories with continuous symmetry groups are mapped into effective lattice gauge theories with finite symmetry groups. The decimation of internal space makes a larger lattice tractable with the same computational resources. In this sense the method is an alternative to Wilson's and Symanzik's programs of improved actions. As an illustrative test of the method U(1) is decimated to Z(N) and the results compared with Monte Carlo data for Z(4)- and Z(5)-invariant lattice gauge theories. The result of decimating SU(3) to its 1080-element crystal-group-like subgroup is given and discussed. (orig.)

  7. Nuclear reaction analysis of Ge ion-implanted ZnO bulk single crystals: The evaluation of the displacement in oxygen lattices

    Science.gov (United States)

    Kamioka, K.; Oga, T.; Izawa, Y.; Kuriyama, K.; Kushida, K.; Kinomura, A.

    2014-08-01

    The displacement of oxygen lattices in Ge ion-implanted ZnO bulk single crystals is studied by nuclear reaction analysis (NAR), photoluminescence (PL), and Van der Pauw methods. The Ge ion-implantation (net concentration: 2.6 × 1020 cm-3) into ZnO is performed using a multiple-step energy. The high resistivity of ∼103 Ω cm in un-implanted samples remarkably decreased to ∼10-2 Ω cm after implanting Ge-ion and annealing subsequently. NRA measurements of as-implanted and annealed samples suggest the existence of the lattice displacement of O atoms acting as acceptor defects. As O related defects still remain after annealing, these defects are not attributed to the origin of the low resistivity in 800 and 1000 °C annealed ZnO.

  8. Photon-phonon interaction in photonic crystals

    International Nuclear Information System (INIS)

    Ueta, T

    2010-01-01

    Photon-phonon interaction on the analogy of electron-phonon interaction is considered in one-dimensional photonic crystal. When lattice vibration is artificially introduced to the photonic crystal, a governing equation of electromagnetic field is derived. A simple model is numerically analysed and the following novel phenomena are found out. The lattice vibration generates the light of frequency which added the integral multiple of the vibration frequency to that of the incident wave and also amplifies the incident wave resonantly. On a resonance, the amplification factor increases very rapidly with the number of layers increases. Resonance frequencies change with the phases of lattice vibration. The amplification phenomenon is analytically discussed for low frequency of the lattice vibration.

  9. Photonic Crystal Laser-Driven Accelerator Structures

    International Nuclear Information System (INIS)

    Cowan, B

    2004-01-01

    The authors discuss simulated photonic crystal structure designs for laser-driven particle acceleration. They focus on three-dimensional planar structures based on the so-called ''woodpile'' lattice, demonstrating guiding of a speed-of-light accelerating mode by a defect in the photonic crystal lattice. They introduce a candidate geometry and discuss the properties of the accelerating mode. They also discuss the linear beam dynamics in the structure present a novelmethod for focusing the beam. In addition they describe ongoing investigations of photonic crystal fiber-based structures

  10. Multiplicative congruential generators, their lattice structure, its relation to lattice-sublattice transformations and applications in crystallography

    Science.gov (United States)

    Hornfeck, W.; Harbrecht, B.

    2009-11-01

    An analysis of certain types of multiplicative congruential generators - otherwise known for their application to the sequential generation of pseudo-random numbers - reveals their relation to lattice-sublattice transformations and the coordinate description of crystal structures.

  11. Radiation induced color in topaz crystals

    International Nuclear Information System (INIS)

    Castagnet, A.C.; Rocca, H.C.C.; Rostilato, M.E.C.M.

    1989-08-01

    The presence of defects and impurities in the crystal lattice alters the eletric field distribution within the crystal, allowing the electrons to occupy energy levels in the forbbiden band. Ionizing radiation supply the required energy to permit the electrons originaly bound to lattice atoms, to occupy effectively those intermediate levels, forming color centers. Dependig upon the nature and energy of the radiation, it is possible to produce defects in regions of the crystal, generating color centers. Based on these premises, a technique to induce color in originally colorless topaz, by using the IEA-R1 nuclear reactor, was developed at Engineering and Industrial Application Department (TE). Samples were irradiated inside iron capsules coated with cadmium foils. The iron, and principaly the cadmium, absorb the thermal neutrons that could activate crystal impurities generating long-lived radioisotopes. The epithermal neutrons that overpass the iron and cadmium barriers interact with the crystal atoms, causing lattice defects which give rise to color center, by subsequent ionization processes. The procedure used at TE induces permanent blue color, in natural colorless topaz. (author) [pt

  12. Dramatic improvement of crystal quality for low-­temperature-grown rabbit muscle aldolase

    Science.gov (United States)

    Park, HaJeung; Rangarajan, Erumbi S.; Sygusch, Jurgen; Izard, Tina

    2010-01-01

    Rabbit muscle aldolase (RMA) was crystallized in complex with the low-complexity domain (LC4) of sorting nexin 9. Monoclinic crystals were obtained at room temperature that displayed large mosaicity and poor X-ray diffraction. However, orthorhombic RMA–LC4 crystals grown at 277 K under similar conditions exhibited low mosaicity, allowing data collection to 2.2 Å Bragg spacing and structure determination. It was concluded that the improvement of crystal quality as indicated by the higher resolution of the new RMA–LC4 complex crystals was a consequence of the introduction of new lattice contacts at lower temperature. The lattice contacts corresponded to an increased number of interactions between high-entropy side chains that mitigate the lattice strain incurred upon cryocooling and accompanying mosaic spread increases. The thermodynamically unfavorable immobilization of high-entropy side chains used in lattice formation was compensated by an entropic increase in the bulk-solvent content owing to the greater solvent content of the crystal lattice. PMID:20445268

  13. Lattice Entertain You: Paper Modeling of the 14 Bravais Lattices on Youtube

    Science.gov (United States)

    Sein, Lawrence T., Jr.; Sein, Sarajane E.

    2015-01-01

    A system for the construction of double-sided paper models of the 14 Bravais lattices, and important crystal structures derived from them, is described. The system allows the combination of multiple unit cells, so as to better represent the overall three-dimensional structure. Students and instructors can view the models in use on the popular…

  14. Nuclear reaction analysis of Ge ion-implanted ZnO bulk single crystals: The evaluation of the displacement in oxygen lattices

    Energy Technology Data Exchange (ETDEWEB)

    Kamioka, K.; Oga, T.; Izawa, Y. [College of Engineering and Research Center of Ion Beam Technology, Hosei University, Koganei, Tokyo 184-8584 (Japan); Kuriyama, K., E-mail: kuri@ionbeam.hosei.ac.jp [College of Engineering and Research Center of Ion Beam Technology, Hosei University, Koganei, Tokyo 184-8584 (Japan); Kushida, K. [Department of Arts and Science, Osaka Kyouiku University, Kashiwara, Osaka 582-8582 (Japan); Kinomura, A. [National Institute of Advanced Industrial Science and Technology, Tsukuba, Ibaraki 305-8568 (Japan)

    2014-08-01

    The displacement of oxygen lattices in Ge ion-implanted ZnO bulk single crystals is studied by nuclear reaction analysis (NAR), photoluminescence (PL), and Van der Pauw methods. The Ge ion-implantation (net concentration: 2.6 × 10{sup 20} cm{sup −3}) into ZnO is performed using a multiple-step energy. The high resistivity of ∼10{sup 3} Ω cm in un-implanted samples remarkably decreased to ∼10{sup −2} Ω cm after implanting Ge-ion and annealing subsequently. NRA measurements of as-implanted and annealed samples suggest the existence of the lattice displacement of O atoms acting as acceptor defects. As O related defects still remain after annealing, these defects are not attributed to the origin of the low resistivity in 800 and 1000 °C annealed ZnO.

  15. Photographic appraisal of crystal lattice growth technique

    Directory of Open Access Journals (Sweden)

    Kapoor D

    2005-01-01

    Full Text Available Concept of creating mechanical retention for bonding through crystal growth has been successfully achieved in the present study. By using polyacrylic acid, sulphated with sulphuric acid as etchant, abundant crystal growth was demonstrated. Keeping in view the obvious benefits of crystal growth technique, the present SEM study was aimed to observe and compare the changes brought about by different etching agents (phosphoric acid, polyacrylic acid and polyacrylic acid sulphated and to evaluate their advantages and disadvantages in an attempt to reduce iatrogenic trauma caused due to surface enamel alteration. Control and experimental groups were made of 24 and 30 premolars, respectively, for scanning electron microscopic appraisal of normal unetched and etched enamel surface and fracture site and finished surface evaluation. When compared with conventional phosphoric acid and weaker polyacrylic acid, investigations indicated that crystal growth treatment on enamel surface caused minimal iatrogenic trauma and surface alteration were restored to the original untreated condition to a large extent.

  16. Gate-tunable gigantic lattice deformation in VO2

    International Nuclear Information System (INIS)

    Okuyama, D.; Hatano, T.; Nakano, M.; Takeshita, S.; Ohsumi, H.; Tardif, S.; Shibuya, K.; Yumoto, H.; Koyama, T.; Ohashi, H.; Takata, M.; Kawasaki, M.; Tokura, Y.; Iwasa, Y.; Arima, T.

    2014-01-01

    We examined the impact of electric field on crystal lattice of vanadium dioxide (VO 2 ) in a field-effect transistor geometry by in-situ synchrotron x-ray diffraction measurements. Whereas the c-axis lattice parameter of VO 2 decreases through the thermally induced insulator-to-metal phase transition, the gate-induced metallization was found to result in a significant increase of the c-axis length by almost 1% from that of the thermally stabilized insulating state. We also found that this gate-induced gigantic lattice deformation occurs even at the thermally stabilized metallic state, enabling dynamic control of c-axis lattice parameter by more than 1% at room temperature

  17. Dramatic improvement of crystal quality for low-temperature-grown rabbit muscle aldolase

    International Nuclear Information System (INIS)

    Park, HaJeung; Rangarajan, Erumbi S.; Sygusch, Jurgen; Izard, Tina

    2010-01-01

    Rabbit muscle aldolase (RMA) was crystallized in complex with the low-complexity domain (LC4) of sorting nexin 9. Monoclinic crystals were obtained at room temperature that displayed large mosaicity and poor X-ray diffraction. However, orthorhombic RMA–LC4 crystals grown at 277 K under similar conditions exhibited low mosaicity, allowing data collection to 2.2 Å Bragg spacing and structure determination. Rabbit muscle aldolase (RMA) was crystallized in complex with the low-complexity domain (LC4) of sorting nexin 9. Monoclinic crystals were obtained at room temperature that displayed large mosaicity and poor X-ray diffraction. However, orthorhombic RMA–LC4 crystals grown at 277 K under similar conditions exhibited low mosaicity, allowing data collection to 2.2 Å Bragg spacing and structure determination. It was concluded that the improvement of crystal quality as indicated by the higher resolution of the new RMA–LC4 complex crystals was a consequence of the introduction of new lattice contacts at lower temperature. The lattice contacts corresponded to an increased number of interactions between high-entropy side chains that mitigate the lattice strain incurred upon cryocooling and accompanying mosaic spread increases. The thermodynamically unfavorable immobilization of high-entropy side chains used in lattice formation was compensated by an entropic increase in the bulk-solvent content owing to the greater solvent content of the crystal lattice

  18. Spin-1 and -2 bilayer Bethe lattice: A Monte Carlo study

    International Nuclear Information System (INIS)

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

    2016-01-01

    The magnetic behaviors of bilayer with spin-1 and 2 Ising model on the Bethe lattice are investigated using the Monte Carlo simulations. The thermal magnetizations, the magnetic susceptibilities and the transition temperature of the bilayer spin-1 and 2 on the Bethe lattice are studied for different values of crystal field and intralayer coupling constants of the two layers and interlayer coupling constant between the layers. The thermal and magnetic hysteresis cycles are given for different values of the crystal field, for different temperatures and for different exchange interactions. - Highlights: • The magnetic properties of bilayer on the Bethe lattice have been investigated. • The transition temperature has been deduced. • The magnetic coercive filed has been established.

  19. Spin-1 and -2 bilayer Bethe lattice: A Monte Carlo study

    Energy Technology Data Exchange (ETDEWEB)

    Masrour, R., E-mail: rachidmasrour@hotmail.com [Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, 63 46000 Safi (Morocco); Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014 Rabat (Morocco); Jabar, A. [Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014 Rabat (Morocco); Benyoussef, A. [Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014 Rabat (Morocco); Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Hassan II Academy of Science and Technology, Rabat (Morocco); Hamedoun, M. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco)

    2016-03-01

    The magnetic behaviors of bilayer with spin-1 and 2 Ising model on the Bethe lattice are investigated using the Monte Carlo simulations. The thermal magnetizations, the magnetic susceptibilities and the transition temperature of the bilayer spin-1 and 2 on the Bethe lattice are studied for different values of crystal field and intralayer coupling constants of the two layers and interlayer coupling constant between the layers. The thermal and magnetic hysteresis cycles are given for different values of the crystal field, for different temperatures and for different exchange interactions. - Highlights: • The magnetic properties of bilayer on the Bethe lattice have been investigated. • The transition temperature has been deduced. • The magnetic coercive filed has been established.

  20. The spin-3/2 Ising model AFM/AFM two-layer lattice with crystal field

    International Nuclear Information System (INIS)

    Yigit, A.; Albayrak, E.

    2010-01-01

    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 a 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 was also found that the system exhibits double-critical end points and isolated points. The model also presents two Neel temperatures, TN, and the existence of which leads to the reentrant behavior.

  1. 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.

  2. Crystal structure and magnetic susceptibility of UOSe single crystals

    International Nuclear Information System (INIS)

    Kaczorowski, D.; Muenster Univ.; Poettgen, R.; Jeitschko, W.; Gajek, Z.; Zygmunt, A.

    1993-01-01

    The crystal structure and magnetic susceptibility behaviour of UOSe single crystals have been studied. UOSe crystalizes in the tetragonal PbFC1-type structure (space group P4/nmm) with the lattice parameters: a = 390.38(5) pm and c = 698.05(9) pm. It orders antiferromagnetically at T N =100±2 K and exhibits a very strong anisotropy in the susceptibility vs temperature variation. The magnetic and thermodynamic properties of UOSe are successfully interpreted in the framework of a perturbative ab initio crystal field approach. (Author)

  3. Crystal structure and magnetic susceptibility of UOSe single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kaczorowski, D. (Polish Academy of Sciences, Wroclaw (Poland). Inst. for Low Temperature and Structure Research Muenster Univ. (Germany). Anorganisch-Chemisches Inst.); Poettgen, R.; Jeitschko, W. (Muenster Univ. (Germany). Anorganisch-Chemisches Inst.); Gajek, Z.; Zygmunt, A. (Polish Academy of Sciences, Wroclaw (Poland). Inst. for Low Temperature and Structure Research)

    1993-01-01

    The crystal structure and magnetic susceptibility behaviour of UOSe single crystals have been studied. UOSe crystalizes in the tetragonal PbFC1-type structure (space group P4/nmm) with the lattice parameters: a = 390.38(5) pm and c = 698.05(9) pm. It orders antiferromagnetically at T[sub N]=100[+-]2 K and exhibits a very strong anisotropy in the susceptibility vs temperature variation. The magnetic and thermodynamic properties of UOSe are successfully interpreted in the framework of a perturbative ab initio crystal field approach. (Author).

  4. Low temperature anomalies in the lattice parameters of rare earth compounds and UPd3

    International Nuclear Information System (INIS)

    Pluemacher, D.

    1980-01-01

    Using a low temperature diffractometer, intermediate valence effects and crystal defects can be identified from the temperature dependence of the lattice parameters and the Debye-Waller factor. For polycrystalline powder samples the measuring error are too large. For intermediate valence systems the relative change in the 4f-level population probability can be calculated together with the anisotropic effects on the lattice parameters and on the unit cell colume. Pronounced effects on the lattice parameters can be observed in the case of RE Cu 2 Si 2 compounds with crystal fields. (DG) [de

  5. Creation of tunable absolute bandgaps in a two-dimensional anisotropic photonic crystal modulated by a nematic liquid crystal

    International Nuclear Information System (INIS)

    Liu Chenyang

    2008-01-01

    Photonic crystals (PCs) have many potential applications because of their ability to control light-wave propagation. We have investigated the tunable absolute bandgap in a two-dimensional anisotropic photonic crystal structures modulated by a nematic liquid crystal. The PC structure composed of an anisotropic-dielectric cylinder in the liquid crystal medium is studied by solving Maxwell's equations using the plane wave expansion method. The photonic band structures are found to exhibit absolute bandgaps for the square and triangular lattices. Numerical simulations show that the absolute bandgaps can be continuously tuned in the square and triangular lattices consisting of anisotropic-dielectric cylinders by infiltrating nematic liquid crystals. Such a mechanism of bandgap adjustment should open up a new application for designing components in photonic integrated circuits

  6. 3D DNA Origami Crystals.

    Science.gov (United States)

    Zhang, Tao; Hartl, Caroline; Frank, Kilian; Heuer-Jungemann, Amelie; Fischer, Stefan; Nickels, Philipp C; Nickel, Bert; Liedl, Tim

    2018-05-18

    3D crystals assembled entirely from DNA provide a route to design materials on a molecular level and to arrange guest particles in predefined lattices. This requires design schemes that provide high rigidity and sufficiently large open guest space. A DNA-origami-based "tensegrity triangle" structure that assembles into a 3D rhombohedral crystalline lattice with an open structure in which 90% of the volume is empty space is presented here. Site-specific placement of gold nanoparticles within the lattice demonstrates that these crystals are spacious enough to efficiently host 20 nm particles in a cavity size of 1.83 × 10 5 nm 3 , which would also suffice to accommodate ribosome-sized macromolecules. The accurate assembly of the DNA origami lattice itself, as well as the precise incorporation of gold particles, is validated by electron microscopy and small-angle X-ray scattering experiments. The results show that it is possible to create DNA building blocks that assemble into lattices with customized geometry. Site-specific hosting of nano objects in the optically transparent DNA lattice sets the stage for metamaterial and structural biology applications. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Introduction to Louis Michel's lattice geometry through group action

    CERN Document Server

    Zhilinskii, Boris

    2015-01-01

    Group action analysis developed and applied mainly by Louis Michel to the study of N-dimensional periodic lattices is the central subject of the book. Different basic mathematical tools currently used for the description of lattice geometry are introduced and illustrated through applications to crystal structures in two- and three-dimensional space, to abstract multi-dimensional lattices and to lattices associated with integrable dynamical systems. Starting from general Delone sets the authors turn to different symmetry and topological classifications including explicit construction of orbifolds for two- and three-dimensional point and space groups. Voronoï and Delone cells together with positive quadratic forms and lattice description by root systems are introduced to demonstrate alternative approaches to lattice geometry study. Zonotopes and zonohedral families of 2-, 3-, 4-, 5-dimensional lattices are explicitly visualized using graph theory approach. Along with crystallographic applications, qualitative ...

  8. Ultratight crystal packing of a 10 kDa protein

    Energy Technology Data Exchange (ETDEWEB)

    Trillo-Muyo, Sergio [Molecular Biology Institute of Barcelona, Spanish Research Council CSIC, Barcelona Science Park, c/Baldiri Reixac 15-21, 08028 Barcelona (Spain); Jasilionis, Andrius [Vilnius University, M. K. Čiurlionio 21/27, 03101 Vilnius (Lithuania); Domagalski, Marcin J. [University of Virginia, 1340 Jefferson Park Avenue, Charlottesville, VA 22908-0736 (United States); Chruszcz, Maksymilian [University of South Carolina, 631 Sumter Street, Columbia, SC 29208 (United States); Minor, Wladek [University of Virginia, 1340 Jefferson Park Avenue, Charlottesville, VA 22908-0736 (United States); Kuisiene, Nomeda [Vilnius University, M. K. Čiurlionio 21/27, 03101 Vilnius (Lithuania); Arolas, Joan L.; Solà, Maria; Gomis-Rüth, F. Xavier, E-mail: xgrcri@ibmb.csic.es [Molecular Biology Institute of Barcelona, Spanish Research Council CSIC, Barcelona Science Park, c/Baldiri Reixac 15-21, 08028 Barcelona (Spain)

    2013-03-01

    The crystal structure of the C-terminal domain of a putative U32 peptidase from G. thermoleovorans is reported; it is one of the most tightly packed protein structures reported to date. While small organic molecules generally crystallize forming tightly packed lattices with little solvent content, proteins form air-sensitive high-solvent-content crystals. Here, the crystallization and full structure analysis of a novel recombinant 10 kDa protein corresponding to the C-terminal domain of a putative U32 peptidase are reported. The orthorhombic crystal contained only 24.5% solvent and is therefore among the most tightly packed protein lattices ever reported.

  9. Tunable all-angle negative refraction and photonic band gaps in two-dimensional plasma photonic crystals with square-like Archimedean lattices

    International Nuclear Information System (INIS)

    Zhang, Hai-Feng; Liu, Shao-Bin; Jiang, Yu-Chi

    2014-01-01

    In this paper, the tunable all-angle negative refraction and photonic band gaps (PBGs) in two types of two-dimensional (2D) plasma photonic crystals (PPCs) composed of homogeneous plasma and dielectric (GaAs) with square-like Archimedean lattices (ladybug and bathroom lattices) for TM wave are theoretically investigated based on a modified plane wave expansion method. The type-1 structure is dielectric rods immersed in the plasma background, and the complementary structure is named as type-2 PPCs. Theoretical simulations demonstrate that the both types of PPCs with square-like Archimedean lattices have some advantages in obtaining the higher cut-off frequency, the larger PBGs, more number of PBGs, and the relative bandwidths compared to the conventional square lattices as the filling factor or radius of inserted rods is same. The influences of plasma frequency and radius of inserted rod on the properties of PBGs for both types of PPCs also are discussed in detail. The calculated results show that PBGs can be manipulated by the parameters as mentioned above. The possibilities of all-angle negative refraction in such two types of PPCs at low bands also are discussed. Our calculations reveal that the all-angle negative phenomena can be observed in the first two TM bands, and the frequency range of all-angle negative refraction can be tuned by changing plasma frequency. Those properties can be used to design the optical switching and sensor

  10. Magnetic properties of checkerboard lattice: a Monte Carlo study

    Science.gov (United States)

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

    2017-12-01

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

  11. Lattice mechanics of ionic crystals - unified study

    International Nuclear Information System (INIS)

    Sengupta, S.; Roy, D.; Basu, A.N.

    1979-01-01

    The up-to-date situation in the understanding of the mechanical properties of ionic solids is reviewed. These properties are determined by the Born-Oppenheimer (B-O) potential energy function. For ionic crystals this potential energy function can be written down with some precision. To keep the expression tractable, the dominant electron deformation, the dipolar deformation, is treated as an adiabatic variable and the energy then becomes a function of both the nuclear coordinates and the ionic dipole moments. All the well known models for ionic crystals are discussed in terms of the energy expression they imply. This makes the comparison straight forward and brings out the essential difference between the models clearly. Next various quantum mechanical treatments for ionic crystals are reviewed. An attempt is made to obtain the B-O potential energy expression using a Heitler-London approach. By comparing the various models one can arrive at some definitive conclusions about the degree of validity and the assumptions underlying these models. Finally a comprehensive review of the results of actual computation on various ionic crystals done by different authors is undertaken. The crucial quantitative results are examined and the success and shortcoming of each calculation are critically analysed. The guiding principle in this part is the unified approach. i.e. to see how far a model with a given set of parameters accounts for both the dynamic and static properties. The discussion is divided in three sections for crystals with sodium chloride, cesium chloride and zinc sulfide structures. Outstanding problems and difficulties in the present understanding are pointed out. (auth.)

  12. Trace element distribution in geological crystals

    Energy Technology Data Exchange (ETDEWEB)

    Den Besten, J.L.; Jamieson, D.N.; Weiser, P.S. [Melbourne Univ., Parkville, VIC (Australia). School of Physics

    1996-12-31

    Channelling is a useful microprobe technique for determining the structure of crystals, but until now has not been performed on geological crystals. The composition has been investigated rather than the structure, which can further explain the origin of the crystal and provide useful information on the substitutionality of trace elements. This may then lead to applications of extraction of valuable metals and semiconductor electronics. Natural crystals of pyrite, FeS{sub 2}, which contains a substantial concentration of gold were channeled and examined to identify the channel axis orientation. Rutherford Backscattering (RBS) and Particle Induced X-Ray Emission (PIXE) spectra using MeV ions were obtained in the experiment to provide a comparison of lattice and non-lattice trace elements. 3 figs.

  13. Trace element distribution in geological crystals

    Energy Technology Data Exchange (ETDEWEB)

    Den Besten, J L; Jamieson, D N; Weiser, P S [Melbourne Univ., Parkville, VIC (Australia). School of Physics

    1997-12-31

    Channelling is a useful microprobe technique for determining the structure of crystals, but until now has not been performed on geological crystals. The composition has been investigated rather than the structure, which can further explain the origin of the crystal and provide useful information on the substitutionality of trace elements. This may then lead to applications of extraction of valuable metals and semiconductor electronics. Natural crystals of pyrite, FeS{sub 2}, which contains a substantial concentration of gold were channeled and examined to identify the channel axis orientation. Rutherford Backscattering (RBS) and Particle Induced X-Ray Emission (PIXE) spectra using MeV ions were obtained in the experiment to provide a comparison of lattice and non-lattice trace elements. 3 figs.

  14. Lattice Parameter of Polycrystalline Diamond in the Low-Temperature Range

    International Nuclear Information System (INIS)

    Paszkowicz, W.; Piszora, P.; Lasocha, W.; Margiolaki, I.; Brunelli, M.; Fitch, A.

    2010-01-01

    The lattice parameter for polycrystalline diamond is determined as a function of temperature in the 4-300 K temperature range. In the range studied, the lattice parameter, expressed in angstrom units, of the studied sample increases according to the equation a = 3.566810(12) + 6.37(41) x 10 -14 T 4 (approximately, from 3.5668 to 3.5673 A). This increase is larger than that earlier reported for pure single crystals. The observed dependence and the resulting thermal expansion coefficient are discussed on the basis of literature data reported for diamond single crystals and polycrystals. (authors)

  15. Optimizing solubility and permeability of a biopharmaceutics classification system (BCS) class 4 antibiotic drug using lipophilic fragments disturbing the crystal lattice.

    Science.gov (United States)

    Tehler, Ulrika; Fagerberg, Jonas H; Svensson, Richard; Larhed, Mats; Artursson, Per; Bergström, Christel A S

    2013-03-28

    Esterification was used to simultaneously increase solubility and permeability of ciprofloxacin, a biopharmaceutics classification system (BCS) class 4 drug (low solubility/low permeability) with solid-state limited solubility. Molecular flexibility was increased to disturb the crystal lattice, lower the melting point, and thereby improve the solubility, whereas lipophilicity was increased to enhance the intestinal permeability. These structural changes resulted in BCS class 1 analogues (high solubility/high permeability) emphasizing that simple medicinal chemistry may improve both these properties.

  16. Gate-tunable gigantic lattice deformation in VO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Okuyama, D., E-mail: okuyama@riken.jp, E-mail: nakano@imr.tohoku.ac.jp, E-mail: iwasa@ap.t.u-tokyo.ac.jp; Hatano, T. [RIKEN Center for Emergent Matter Science (CEMS), Wako 351-0198 (Japan); Nakano, M., E-mail: okuyama@riken.jp, E-mail: nakano@imr.tohoku.ac.jp, E-mail: iwasa@ap.t.u-tokyo.ac.jp [RIKEN Center for Emergent Matter Science (CEMS), Wako 351-0198 (Japan); Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Takeshita, S.; Ohsumi, H.; Tardif, S. [RIKEN SPring-8 Center, Hyogo 679-5148 (Japan); Shibuya, K. [National Institute of Advanced Industrial Science and Technology, Tsukuba 305-8562 (Japan); Yumoto, H.; Koyama, T.; Ohashi, H. [Japan Synchrotron Radiation Research Institute, SPring-8, Hyogo 679-5198 (Japan); Takata, M. [RIKEN SPring-8 Center, Hyogo 679-5148 (Japan); Japan Synchrotron Radiation Research Institute, SPring-8, Hyogo 679-5198 (Japan); Kawasaki, M.; Tokura, Y.; Iwasa, Y., E-mail: okuyama@riken.jp, E-mail: nakano@imr.tohoku.ac.jp, E-mail: iwasa@ap.t.u-tokyo.ac.jp [RIKEN Center for Emergent Matter Science (CEMS), Wako 351-0198 (Japan); Quantum-Phase Electronics Center and Department of Applied Physics, University of Tokyo, Tokyo 113-8656 (Japan); Arima, T. [RIKEN Center for Emergent Matter Science (CEMS), Wako 351-0198 (Japan); RIKEN SPring-8 Center, Hyogo 679-5148 (Japan); Department of Advanced Materials Science, University of Tokyo, Kashiwa 277-8561 (Japan)

    2014-01-13

    We examined the impact of electric field on crystal lattice of vanadium dioxide (VO{sub 2}) in a field-effect transistor geometry by in-situ synchrotron x-ray diffraction measurements. Whereas the c-axis lattice parameter of VO{sub 2} decreases through the thermally induced insulator-to-metal phase transition, the gate-induced metallization was found to result in a significant increase of the c-axis length by almost 1% from that of the thermally stabilized insulating state. We also found that this gate-induced gigantic lattice deformation occurs even at the thermally stabilized metallic state, enabling dynamic control of c-axis lattice parameter by more than 1% at room temperature.

  17. Making sense of nanocrystal lattice fringes

    International Nuclear Information System (INIS)

    Fraundorf, P.; Qin Wentao; Moeck, Peter; Mandell, Eric

    2005-01-01

    The orientation dependence of thin-crystal lattice fringes can be gracefully quantified using fringe-visibility maps, a direct-space analog of Kikuchi maps [Nishikawa and Kikuchi, Nature (London) 121, 1019 (1928)]. As in navigation of reciprocal space with the aid of Kikuchi lines, fringe-visibility maps facilitate acquisition of crystallographic information from lattice images. In particular, these maps can help researchers to determine the three-dimensional lattice of individual nanocrystals, to 'fringe-fingerprint' collections of randomly oriented particles, and to measure local specimen thickness with only a modest tilt. Since the number of fringes in an image increases with maximum spatial-frequency squared, these strategies (with help from more precise goniometers) will be more useful as aberration correction moves resolutions into the subangstrom range

  18. Molecular morphology and crystallization in the quantum limit

    DEFF Research Database (Denmark)

    Bohr, Jakob

    2002-01-01

    The effects of phonons on crystallization and crystal morphology are investigated. It is shown that the commensuration of the lattice vibrations with the lattice will favor certain crystal morphologies. Vibrational effects can also be important for the molecular structure of chain molecules...... protein are estimated to differ by several electron volts. For a biomolecule, such energy is significant and may contribute to cold denaturing as seen for proteins. This is consistent with the empirical observation that cold denaturation is exothermic and hot denaturation endothermic....

  19. Change of lattice parameters in highly disperse nickel powders

    International Nuclear Information System (INIS)

    Gamarnik, M.Ya.

    1991-01-01

    A monotonous increase of the lattice parameters with the decrease of particle size is established by an X-ray study for highly disperse nickel powders in the interval of sizes from 4.9 to 35 nm. The relative changes of lattice parameters are from 4.9x10 -3 ±5x10 -4 up to 3x10 -4 ±1x10 -4 . The effect is explained by the decrease of the intracrystalline pressure in small particles stipulated by electrostatic interaction of the elements of crystal charge lattice. A calculated dependence of the lattice parameters which agrees with experimental curve is obtained in the framework of the model suggested by the charge lattice represented by an ion-electron lattice of positive ions and collectivized electrons with regard of the lattice of atomic neutral cores (the contribution of the latter is proved very small as found from the calculations). (orig.)

  20. Entropy-driven crystal formation on highly strained substrates

    KAUST Repository

    Savage, John R.

    2013-05-20

    In heteroepitaxy, lattice mismatch between the deposited material and the underlying surface strongly affects nucleation and growth processes. The effect of mismatch is well studied in atoms with growth kinetics typically dominated by bond formation with interaction lengths on the order of one lattice spacing. In contrast, less is understood about how mismatch affects crystallization of larger particles, such as globular proteins and nanoparticles, where interparticle interaction energies are often comparable to thermal fluctuations and are short ranged, extending only a fraction of the particle size. Here, using colloidal experiments and simulations, we find particles with short-range attractive interactions form crystals on isotropically strained lattices with spacings significantly larger than the interaction length scale. By measuring the free-energy cost of dimer formation on monolayers of increasing uniaxial strain, we show the underlying mismatched substrate mediates an entropy-driven attractive interaction extending well beyond the interaction length scale. Remarkably, because this interaction arises from thermal fluctuations, lowering temperature causes such substrate-mediated attractive crystals to dissolve. Such counterintuitive results underscore the crucial role of entropy in heteroepitaxy in this technologically important regime. Ultimately, this entropic component of lattice mismatched crystal growth could be used to develop unique methods for heterogeneous nucleation and growth of single crystals for applications ranging from protein crystallization to controlling the assembly of nanoparticles into ordered, functional superstructures. In particular, the construction of substrates with spatially modulated strain profiles would exploit this effect to direct self-assembly, whereby nucleation sites and resulting crystal morphology can be controlled directly through modifications of the substrate.

  1. High-resolution mapping of two-dimensional lattice distortions in ion-implanted crystals from X-ray diffractometry data

    International Nuclear Information System (INIS)

    Nikulin, A.Y.; Gureyev, T.E.; Stevenson, A.W.; Wilkins, S.W.; Hashizume, H.; Cookson, D.

    1996-01-01

    The triple-crystal synchrotron X-ray diffractometry data described in Nikulin, Stevenson, Hashizume, Wilkins, Foran, Cookson and Garrett (J. Appl. Cryst. 28, 57-60 (1995)) has been analyzed to map out two-dimensional (2D) lattice distortions in silicon (111) crystals implanted with B + ions of 100 keV energy through a periodic SiO 2 strip pattern. The lateral periodic structure produced a series of satellite reflections associated with the 111 Bragg peak. The 2D reconstruction incorporates the use of the Petrashen-Chukhovskii method, which retrieves the phases of the Bragg waves for these satellite reflections, together with that for the fundamental. The finite Fourier series is then synthesized with the relative phases determined. Localized distortions perpendicular to the surface arising from deposited B + ions in near-surface layers of the crystal are clearly displayed with spatial resolutions of 0.016 and 0.265 μm in the depth and lateral directions respectively. For a sample with the oxide layer removed from the surface, two equally plausible strain maps have been obtained by assigning relative phases to eleven satellites using a sequential trial method and a minimum-energy method. Failed map reconstructions for the oxide-covered sample are discussed in terms of the non-unique solutions of the Petrashen-Chukhovskii phase-recovery algorithm and the ambiguous phases determined for the satellites. 16 refs., 8 figs

  2. Kinetic models for irreversible processes on a lattice

    Energy Technology Data Exchange (ETDEWEB)

    Wolf, N.O.

    1979-04-01

    The development and application of kinetic lattice models are considered. For the most part, the discussions are restricted to lattices in one-dimension. In Chapter 1, a brief overview of kinetic lattice model formalisms and an extensive literature survey are presented. A review of the kinetic models for non-cooperative lattice events is presented in Chapter 2. The development of cooperative lattice models and solution of the resulting kinetic equations for an infinite and a semi-infinite lattice are thoroughly discussed in Chapters 3 and 4. The cooperative models are then applied to the problem of theoretically dtermining the sticking coefficient for molecular chemisorption in Chapter 5. In Chapter 6, other possible applications of these models and several model generalizations are considered. Finally, in Chapter 7, an experimental study directed toward elucidating the mechanistic factors influencing the chemisorption of methane on single crystal tungsten is reported. In this it differs from the rest of the thesis which deals with the statistical distributions resulting from a given mechanism.

  3. DFT-Assisted Polymorph Identification from Lattice Raman Fingerprinting.

    Science.gov (United States)

    Bedoya-Martínez, Natalia; Schrode, Benedikt; Jones, Andrew O F; Salzillo, Tommaso; Ruzié, Christian; Demitri, Nicola; Geerts, Yves H; Venuti, Elisabetta; Della Valle, Raffaele Guido; Zojer, Egbert; Resel, Roland

    2017-08-03

    A combined experimental and theoretical approach, consisting of lattice phonon Raman spectroscopy and density functional theory (DFT) calculations, is proposed as a tool for lattice dynamics characterization and polymorph phase identification. To illustrate the reliability of the method, the lattice phonon Raman spectra of two polymorphs of the molecule 2,7-dioctyloxy[1]benzothieno[3,2-b]benzothiophene are investigated. We show that DFT calculations of the lattice vibrations based on the known crystal structures, including many-body dispersion van der Waals (MBD-vdW) corrections, predict experimental data within an accuracy of ≪5 cm -1 (≪0.6 meV). Due to the high accuracy of the simulations, they can be used to unambiguously identify different polymorphs and to characterize the nature of the lattice vibrations and their relationship to the structural properties. More generally, this work implies that DFT-MBD-vdW is a promising method to describe also other physical properties that depend on lattice dynamics like charge transport.

  4. Kinetic models for irreversible processes on a lattice

    International Nuclear Information System (INIS)

    Wolf, N.O.

    1979-04-01

    The development and application of kinetic lattice models are considered. For the most part, the discussions are restricted to lattices in one-dimension. In Chapter 1, a brief overview of kinetic lattice model formalisms and an extensive literature survey are presented. A review of the kinetic models for non-cooperative lattice events is presented in Chapter 2. The development of cooperative lattice models and solution of the resulting kinetic equations for an infinite and a semi-infinite lattice are thoroughly discussed in Chapters 3 and 4. The cooperative models are then applied to the problem of theoretically dtermining the sticking coefficient for molecular chemisorption in Chapter 5. In Chapter 6, other possible applications of these models and several model generalizations are considered. Finally, in Chapter 7, an experimental study directed toward elucidating the mechanistic factors influencing the chemisorption of methane on single crystal tungsten is reported. In this it differs from the rest of the thesis which deals with the statistical distributions resulting from a given mechanism

  5. Lattice location of diffused Zn atoms in GaAs and InP single crystals

    International Nuclear Information System (INIS)

    Chan, L.Y.; Yu, K.M.; Ben-Tzur, M.; Haller, E.E.; Jaklevic, J.M.; Walukiewicz, W.; Hanson, C.M.

    1991-01-01

    We have investigated the saturation phenomenon of the free carrier concentration in p-type GaAs and InP single crystals doped by zinc diffusion. The free hole saturation occurs at 10 20 cm -3 for GaAs, but the maximum concentration for InP appears at mid 10 18 cm -3 . The difference in the saturation hole concentrations for these materials is investigated by studying the incorporation and the lattice location of the impurity zinc, an acceptor when located on a group III atom site. Zinc is diffused into the III-V wafers in a sealed quartz ampoule. Particle-induced x-ray emission with ion-channeling techniques are employed to determine the exact lattice location of the zinc atoms. We have found that over 90% of all zinc atoms occupy Ga sites in the diffused GaAs samples, while for the InP case, the zinc substitutionality is dependent on the cooling rate of the sample after high-temperature diffusion. For the slowly cooled sample, a large fraction (∼90%) of the zinc atoms form random precipitates of Zn 3 P 2 and elemental Zn. However, when rapidly cooled only 60% of the zinc forms such precipitates while the rest occupies specific sites in the InP. We analyze our results in terms of the amphoteric native defect model. We show that the difference in the electrical activity of the Zn atoms in GaAs and InP is a consequence of the different location of the Fermi level stabilization energy in these two materials

  6. An improved strategy for the crystallization of Leishmania mexicana pyruvate kinase

    International Nuclear Information System (INIS)

    Morgan, Hugh P.; McNae, Iain W.; Hsin, Kun-Yi; Michels, Paul A. M.; Fothergill-Gilmore, Linda A.; Walkinshaw, Malcolm D.

    2010-01-01

    The first crystal structure of Leishmania mexicana pyruvate kinase (LmPYK) obtained at a neutral pH. LmPYK was co-crystallized with the small molecule 1,3,6,8-pyrenetetrasulfonic acid, which provides a helpful intermolecular bridge between macromolecules. The inclusion of novel small molecules in crystallization experiments has provided very encouraging results and this method is now emerging as a promising alternative strategy for crystallizing ‘problematic’ biological macromolecules. These small molecules have the ability to promote lattice formation through stabilizing intermolecular interactions in protein crystals. Here, the use of 1,3,6,8-pyrenetetrasulfonic acid (PTS), which provides a helpful intermolecular bridge between Leishmania mexicana PYK (LmPYK) macromolecules in the crystal, is reported, resulting in the rapid formation of a more stable crystal lattice at neutral pH and greatly improved X-ray diffraction results. The refined structure of the LmPYK–PTS complex revealed the negatively charged PTS molecule to be stacked between positively charged (surface-exposed) arginine side chains from neighbouring LmPYK molecules in the crystal lattice

  7. Low-temperature embrittlement and fracture of metals with different crystal lattices – Dislocation mechanisms

    Directory of Open Access Journals (Sweden)

    V.M. Chernov

    2016-12-01

    Full Text Available The state of a low-temperature embrittlement (cold brittleness and dislocation mechanisms for formation of the temperature of a ductile-brittle transition and brittle fracture of metals (mono- and polycrystals with various crystal lattices (BCC, FCC, HCP are considered. The conditions for their formation connected with a stress-deformed state and strength (low temperature yield strength as well as the fracture breaking stress and mobility of dislocations in the top of a crack of the fractured metal are determined. These conditions can be met for BCC and some HCP metals in the initial state (without irradiation and after a low-temperature damaging (neutron irradiation. These conditions are not met for FCC and many HCP metals. In the process of the damaging (neutron irradiation such conditions are not met also and the state of low-temperature embrittlement of metals is absent (suppressed due to arising various radiation dynamic processes, which increase the mobility of dislocations and worsen the strength characteristics.

  8. Spin-phonon and lattice contributions to the ground-state splitting of Gd3+ and Eu2+ in scheelite crystals

    Science.gov (United States)

    Gorlov, A. D.

    2015-07-01

    The EPR spectra of Gd3+ in CaWO4 single crystals have been studied at temperatures T = 1.8, 4.2, and 114-300 K, and the temperature dependence of the parameters b {/n m } ( T) of the spin Hamiltonian has been found. The behavior of b {2/0}( T) has been analyzed. The spin-phonon and static lattice contributions b {2/0}( F) and b {2/0}( L) to b {2/0}( T) have been revealed. For this purpose, the variation of b {2/0}( L) has been calculated taking into account the thermal shifts of oxygen ions in CaWO4. Similar analysis has been carried out for CaWO4: Eu2+ based on the EPR data of other authors (Bronstein, Voterra and Harvey, Kiefte). It has been shown that at b {2/0}( F) > 0, the variation of b {2/0}( F) as a function of T for these impurity centers is described well by the Pfister model and a sign change of b {2/0}( T) for Eu2+ is determined by thermal expansion of the lattice.

  9. Lattice Boltzmann simulation of asymmetric flow in nematic liquid crystals with finite anchoring

    Science.gov (United States)

    Zhang, Rui; Roberts, Tyler; Aranson, Igor S.; de Pablo, Juan J.

    2016-02-01

    Liquid crystals (LCs) display many of the flow characteristics of liquids but exhibit long range orientational order. In the nematic phase, the coupling of structure and flow leads to complex hydrodynamic effects that remain to be fully elucidated. Here, we consider the hydrodynamics of a nematic LC in a hybrid cell, where opposite walls have conflicting anchoring boundary conditions, and we employ a 3D lattice Boltzmann method to simulate the time-dependent flow patterns that can arise. Due to the symmetry breaking of the director field within the hybrid cell, we observe that at low to moderate shear rates, the volumetric flow rate under Couette and Poiseuille flows is different for opposite flow directions. At high shear rates, the director field may undergo a topological transition which leads to symmetric flows. By applying an oscillatory pressure gradient to the channel, a net volumetric flow rate is found to depend on the magnitude and frequency of the oscillation, as well as the anchoring strength. Taken together, our findings suggest several intriguing new applications for LCs in microfluidic devices.

  10. Frequency distribution of the reduced unit cells of centred lattices from the Protein Data Bank.

    Science.gov (United States)

    Swaminathan, Kunchithapadam

    2012-03-01

    In crystallography, a centred conventional lattice unit cell has its corresponding reduced primitive unit cell. This study presents the frequency distribution of the reduced unit cells of all centred lattice entries of the Protein Data Bank (as of 23 August 2011) in four unit-cell-dimension-based groups and seven interaxial-angle-based subgroups. This frequency distribution is an added layer of support during space-group assignment in new crystals. In addition, some interesting patterns of distribution are discussed as well as how some reduced unit cells could be wrongly accepted as primitive lattices in a different crystal system.

  11. Melting of the moving vortex lattice in the presence of disorder

    International Nuclear Information System (INIS)

    Koshelev, A.E.; Vinokur, V.M.

    1994-07-01

    The authors investigate the melting of the two-dimensional vortex lattice moving in an inhomogeneous environment under the applied current j. They predict the existence of a dynamic phase transition at some current j = j t (crystallization current) from the motion of the amorphous configuration at j t to the motion of the crystal at j > j t . j t exceeds essentially the critical current j c for strongly disordered systems and approaches j c with the decrease of the degree of disorder. They find that j t diverges as temperature approaches the melting temperature of the undisturbed lattice

  12. Adsorption, Desorption, Surface Diffusion, Lattice Defect Formation, and Kink Incorporation Processes of Particles on Growth Interfaces of Colloidal Crystals with Attractive Interactions

    Directory of Open Access Journals (Sweden)

    Yoshihisa Suzuki

    2016-07-01

    Full Text Available Good model systems are required in order to understand crystal growth processes because, in many cases, precise incorporation processes of atoms or molecules cannot be visualized easily at the atomic or molecular level. Using a transmission-type optical microscope, we have successfully observed in situ adsorption, desorption, surface diffusion, lattice defect formation, and kink incorporation of particles on growth interfaces of colloidal crystals of polystyrene particles in aqueous sodium polyacrylate solutions. Precise surface transportation and kink incorporation processes of the particles into the colloidal crystals with attractive interactions were observed in situ at the particle level. In particular, contrary to the conventional expectations, the diffusion of particles along steps around a two-dimensional island of the growth interface was not the main route for kink incorporation. This is probably due to the number of bonds between adsorbed particles and particles in a crystal; the number exceeds the limit at which a particle easily exchanges its position to the adjacent one along the step. We also found novel desorption processes of particles from steps to terraces, attributing them to the assistance of attractive forces from additionally adsorbing particles to the particles on the steps.

  13. Immobilizing Water into Crystal Lattice of Calcium Sulfate for its Separation from Water-in-Oil Emulsion.

    Science.gov (United States)

    Jiang, Guangming; Li, Junxi; Nie, Yunliang; Zhang, Sen; Dong, Fan; Guan, Baohong; Lv, Xiaoshu

    2016-07-19

    This work report a facile approach to efficiently separate surfactant-stabilized water (droplet diameter of around 2.0 μm) from water-in-oil emulsion via converting liquid water into solid crystal water followed by removal with centrifugation. The liquid-solid conversion is achieved through the solid-to-solid phase transition of calcium sulfate hemihydrate (CaSO4. 0.5H2O, HH) to dihydrate (CaSO4·2H2O, DH), which could immobilize the water into crystal lattice of DH. For emulsion of 10 mg mL(-1) water, the immobilization-separation process using polycrystalline HH nanoellipsoids could remove 95.87 wt % water at room temperature. The separation efficiency can be further improved to 99.85 wt % by optimizing the HH dosage, temperature, HH size and crystalline structure. Property examination of the recycled oil confirms that our method has neglectable side-effect on oil quality. The byproduct DH was recycled to alpha-HH (a valuable cemetitious material widely used in construction and binding field), which minimizes the risk of secondary pollution and promotes the practicality of our method. With the high separation efficiency, the "green" feature and the recyclability of DH byproduct, the HH-based immobilization-separation approach is highly promising in purifying oil with undesired water contamination.

  14. Dynamics of Spontaneous Emission Controlled by Local Density of States in Photonic Crystals

    DEFF Research Database (Denmark)

    Lodahl, Peter; Nikolaev, Ivan S.; van Driel, A. Floris

    2006-01-01

    We have measured time-resolved spontaneous emission from quantum dots in 3D photonic crystals. Due to the spatially dependent local density of states, the distribution of decay rates varies strongly with the photonic crystal lattice parameter.......We have measured time-resolved spontaneous emission from quantum dots in 3D photonic crystals. Due to the spatially dependent local density of states, the distribution of decay rates varies strongly with the photonic crystal lattice parameter....

  15. Thermal expansion of crystals of the N2 type

    International Nuclear Information System (INIS)

    Tolkachev, A.M.; Manzhelii, V.G.; Azarenkov, V.P.; Jezowski, A.; Kosobutskaya, E.A.

    1981-01-01

    Linear expansion coefficients of low temperature crystals with linear molecules and Pa3 lattice N 2 (2-21 K), CO(2-28 K), CO 2 (2-25 K), N 2 O(2-90 K) were measured. A version of the law of corresponding states to describe the translational component of the thermal expansion of the substances studied and other low temperature crystals with close-packed lattices is proposed. In the thermal properties of crystals consisting of molecules without inversion centre, we have found anomalies interpreted as the evidence of a partial dipole ordering. (orig.)

  16. Crystal lattice desolvation effects on the magnetic quantum tunneling of single-molecule magnets

    Science.gov (United States)

    Redler, G.; Lampropoulos, C.; Datta, S.; Koo, C.; Stamatatos, T. C.; Chakov, N. E.; Christou, G.; Hill, S.

    2009-09-01

    High-frequency electron paramagnetic resonance (HFEPR) and alternating current (ac) susceptibility measurements are reported for a new high-symmetry Mn12 complex, [Mn12O12(O2CCH3)16(CH3OH)4]ṡCH3OH . The results are compared to those of other high-symmetry spin S=10Mn12 single-molecule magnets (SMMs), including the original acetate, [Mn12(O2CCH3)16(H2O)4]ṡ2CH3CO2Hṡ4H2O , and the [Mn12O12(O2CCH2Br)16(H2O)4]ṡ4CH2Cl2 and [Mn12O12(O2CCH2But)16(CH3OH)4]ṡCH3OH complexes. These comparisons reveal important insights into the factors that influence the values of the effective barrier to magnetization reversal, Ueff , deduced on the basis of ac susceptibility measurements. In particular, we find that variations in Ueff can be correlated with the degree of disorder in a crystal which can be controlled by desolvating (drying) samples. This highlights the importance of careful sample handling when making measurements on SMM crystals containing volatile lattice solvents. The HFEPR data additionally provide spectroscopic evidence suggesting that the relatively weak disorder induced by desolvation influences the quantum tunneling interactions and that it is under-barrier tunneling that is responsible for a consistent reduction in Ueff that is found upon drying samples. Meanwhile, the axial anisotropy deduced from HFEPR is found to be virtually identical for all four Mn12 complexes, with no measurable reduction upon desolvation.

  17. Light crystals for ultracold quantum degenerate bosonic gases

    International Nuclear Information System (INIS)

    Arimondo, E.

    2009-01-01

    Full text follows. The experimental realization of quantum degenerate states in ultracold atomic gases has opened the possibility to realize few body systems isolated from external perturbations and at temperatures close to absolute zero. Under these conditions counterintuitive phenomena characteristic of the quantum mechanical evolution may be assessed experimentally. Matter quantum-mechanical waves inside periodic potentials investigated in solid-state physics, where electrons propagate within a crystal lattice. Interfering laser beams create a light-induced spatial periodic potential for ultracold atoms called an 'optical lattice'. Atoms hopping between the lattice periodic potential minima emulate the motion of electrons in a crystal. The creation of one-, two-, and three-dimensional periodic structures in which atoms can be trapped and accelerated, with the possibility of switching or modulating the lattice at will, gives a great flexibility. In addition atomic physicists can tune the lattice's geometry, the rate of hopping, and the push and pull between atoms within the light crystals. So they hope to map the various behaviors of solid-state models. On the basis of the research work performed at Pisa, several processes of quantum mechanics evolution within a spatial periodic potential and associated to the solid-state physics will be presented

  18. Stability of void lattices under irradiation: a kinetic model

    International Nuclear Information System (INIS)

    Benoist, P.; Martin, G.

    1975-01-01

    Voids are imbedded in a homogeneous medium where point defects are uniformly created and annihilated. As shown by a perturbation calculation, the proportion of the defects which are lost on the cavities goes through a maximum, when the voids are arranged on a translation lattice. If a void is displaced from its lattice site, its growth rate becomes anisotropic and is larger in the direction of the vacant site. The relative efficiency of BCC versus FCC void lattices for the capture of point defects is shown to depend on the relaxation length of the point defects in the surrounding medium. It is shown that the rate of energy dissipation in the crystal under irradiation is maximum when the voids are ordered on the appropriate lattice

  19. Stability of void lattices under irradiation: a kinetic model

    International Nuclear Information System (INIS)

    Benoist, P.; Martin, G.

    1975-01-01

    Voids are imbedded in a homogeneous medium where point defects are uniformly created and annihilated. As shown by a perturbation calculation, the proportion of the defects which are lost on the cavities goes through a maximum, when the voids are arranged on a translation lattice. If a void is displaced from its lattice site, its growth the rate becomes anisotropic and is larger in the direction of the vacant site. The relative efficiency of BCC versus FCC void lattices for the capture of point defects is shown to depend on the relaxation length of the point defects in the surrounding medium. It is shown that the rate of energy dissipation in the crystal under irradiation is maximum when the voids are ordered on the appropriate lattice [fr

  20. Structure and lattice dynamics in non-centrosymmetric borates

    International Nuclear Information System (INIS)

    Stein, W.D.R.

    2007-01-01

    This thesis deals with a study of structural and lattice dynamical properties of some noncentrosymmetric borates with outstanding non-linear optical properties. The focus was on the compound bismuth triborate (BiB 3 O 6 ). The structure of the tetraborates MB 4 O 7 (M=Pb,Sr,Ba) was also investigated. The structural investigations in bismuth triborate include powder and single crystal diffraction experiments on X-ray and neutron sources. The crystal structure was under examination in the temperature range from 100 K to room temperature and the lattice constants in the temperature range from 20 K to 800 K. The lattice constants show a nearly linear dependency from temperature. Our observations are in good agreement with investigations of the thermal expansion, which shows a strong anisotropy within the layer-like structure of bismuth triborate. Within the borate layers, along the polar axis a strong positive and in the orthogonal direction a negative thermal expansion is observed. This effect can be explained by a zig-zag effect within the borate layers. The lone electron pair at the bismuth atom is discussed to be possibly the origin of the temperature dependency of the coordination environment of the bismuth atom. The influence of the lone electron pair on the crystal structure is raising by lowering the temperature. At the bismuth atom distinct anharmonic effects are observed, where the maximum points along the direction of the polar axis and therefore along the direction of the lone electron pair. The phonon dispersion of bismuth triborate has been investigated by inelastic neutron scattering. The low symmetry of the crystal structure depicts to be a special challenge. The dispersion was observed along the three reciprocal lattice constants. Along the polar axis the dispersion could be characterized to a maximum energy of 20 THz. The low energy acoustic branch along the polar axis shows a softening at the zone boundary. In the orthogonal directions the dispersion

  1. Polymorphism of felodipine co-crystals with 4,4'-bipyridine

    DEFF Research Database (Denmark)

    Surov, Artem Olegovich; Solanko, Katarzyna A.; Bond, Andrew

    2014-01-01

    -crystal is the most thermodynamically stable phase. The difference in the crystal lattice energies between different polymorphs of the co-crystal is found to be comparable with that between the polymorphic forms of pure felodipine. The enthalpies of formation of the co-crystals are small, which indicates...

  2. Effect of Metal Dopant on Ninhydrin—Organic Nonlinear Optical Single Crystals

    Directory of Open Access Journals (Sweden)

    R. S. Sreenivasan

    2013-01-01

    Full Text Available In the present work, metal (Cu2+-substituted ninhydrin single crystals were grown by slow evaporation method. The grown crystals have been subjected to single crystal XRD, powder X-ray diffraction, FTIR, dielectric and SHG studies. Single crystal X-ray diffraction analysis reveals that the compound crystallizes in monoclinic system with noncentrosymmetric space group P21 with lattice parameters a=11.28 Å, b=5.98 Å, c=5.71 Å, α=90∘, β=98.57, γ=90∘, and V=381 (Å3, which agrees very well with the reported value. The sharp and strong peaks in the powder X-ray diffraction pattern confirm the good crystallinity of the grown crystals. The presence of dopants marginally altered the lattice parameters without affecting the basic structure of the crystal. The UV-Vis transmittance spectrum shows that the crystal has a good optical transmittance in the entire visible region with lower cutoff wavelength 314 nm. The vibrational frequencies of various functional groups in the crystals have been derived from FT-IR analysis. Based on the shifts in the vibrations, the presence of copper in the lattice of the grown crystal is clearly established from the pure ninhydrin crystals. Both dielectric constant and dielectric loss decrease with the increase in frequency. The second harmonic generation efficiency was measured by employing powder Kurtz method.

  3. Lattice Boltzmann simulations of liquid crystalline fluids: active gels and blue phases

    OpenAIRE

    Cates, M. E.; Henrich, O.; Marenduzzo, D.; Stratford, K.

    2010-01-01

    Lattice Boltzmann simulations have become a method of choice to solve the hydrodynamic equations of motion of a number of complex fluids. Here we review some recent applications of lattice Boltzmann to study the hydrodynamics of liquid crystalline materials. In particular, we focus on the study of (a) the exotic blue phases of cholesteric liquid crystals, and (b) active gels - a model system for actin plus myosin solutions or bacterial suspensions. In both cases lattice Boltzmann studies have...

  4. Nanoimprinted polymer photonic crystal dye lasers

    DEFF Research Database (Denmark)

    Christiansen, Mads Brøkner; Smith, Cameron; Buss, Thomas

    2010-01-01

    Optically pumped polymer photonic crystal band-edge dye lasers are presented. The photonic crystal is a rectangular lattice providing laser feedback as well as an optical resonance for the pump light. The lasers are defined in a thin film of photodefinable Ormocore hybrid polymer, doped...

  5. Development of polarization magneto-optics of paramagnetic crystals

    International Nuclear Information System (INIS)

    Zapasskij, V.S.; Feofilov, P.P.

    1975-01-01

    The present status of the polarization magnetooptics of crystals containing paramagnetic ion impurities is reviewed. The paper discusses methods of measurement of circular magnetic anisotropy and results obtained in recent years in the field of conventional magnetooptical studies, e.g., magnetooptical activity in absorption spectra for intrinsic and impurity defects in crystals, luminescence magnetic circular polarization, anisotropy of magnetooptical activity in cubic crystals. The main emphasis is placed on new trends in polarization magnetooptics: studies of interactions of a spin system with a lattice, in particular, spin-lattice relaxation and spin memory effect, experiments in the double radiooptical resonance, studies of optical spin relaxation, nonlinear magnetooptical effects, etc

  6. Quantitative analysis of thermal diffuse X-ray scattering on single crystals. Communication 2. FCC metals

    International Nuclear Information System (INIS)

    Najsh, V.E.; Novoselova, T.V.; Sagaradze, I.V.; Kvyatkovskij, B.E.; Fedorov, V.I.; Chernenkov, Yu.P.

    1994-01-01

    With the use of X-ray diffractometer a study was made into the intensity of diffuse scattering in Ni crystals with FCC lattice. Earlier accomplished quantitative analysis for BCC crystals was extended to FCC lattices. Comparative evaluation was made for cooperative thermal oscillation patterns and corresponding diffuse scattering in crystals of various structures. Measurements on FCC crystals were carried out at room temperature using AgK a lpha-radiation in 96 points of Ni crystal. 8 refs., 4 figs

  7. Orientation of quartz nanocrystallites in the silicon lattice

    International Nuclear Information System (INIS)

    Kalanov, M.U.; Ibragimova, E.M.; Khamraeva, R.N.; Rustamova, V.M.; Ummatov, Kh.D.

    2006-01-01

    Full text: Basing on the study of medium angle diffuse X-ray scattering from silicon single crystals, it was supposed to be due to rod like oxygen precipitates. It was shown by us later, that depending on the growth conditions, as-grown silicon single crystals contain quartz crystal inclusions at an amount of 0.3 / 0.5 wt. % . Since it has not been done before, the aim of this work was to study the shape and orientation of quartz inclusions relative to a chosen axis of the silicon crystal lattice. We studied p-Si single crystals of one crucible origin with the specific resistance ρ 0 ≅ 1/10 Ohm· cm with different cut surfaces parallel to the crystal planes (100), (110) and (111). All the samples were cut and polished in the bar form with the sizes of 20x12x1.5 mm 3 . The dislocation density was N D ≅ 10 1 /10 3 cm -2 , the concentrations of oxygen and boron were N O ≅ 2/ 4 x10 17 cm -3 and N B ≅ 3· 10 1 5 c m -3 . Structure was analyzed at the set-up DRON-3M ( λ Cu K∝ = 0.1542 nm) at the room temperature in the angle range of angles 2Θ = 10/70 deg. The diffraction spectrum of the sample cut in (111) includes 5 selective reflections and the only diffuse one at 2Θ≅ 20 deg (d/n≅ 0.3136 nm), having a large width 0.1032 rad, which is due to presence of amorphous SiO x precipitate in the surface layer of silicon single crystal. The dominative selective line with d/n≅ 0.3136 nm at 2Θ≅ 28.5 deg belongs to reflection from (111) planes of the silicon lattice and the second less intensive one comes from the same planes with Cu K β radiation. Another selective reflection of a medium intensity at 2Θ≅ 59 deg with d/n≅ 0.1568 nm is its second order (222) and forbidden by the weakening laws. The rest narrow but weak lines with d/n≅ 0.3345 nm at 2Θ≅ 26.6 deg and 0.2468 nm at≅36.6 deg correspond to the diffraction reflections (101) and (110) from the crystal quartz lattice SiO 2 . It means that they are caused by optimally oriented quartz

  8. Vortex lattices in superconducting niobium and skyrmion lattices in chiral MnSi. An investigation by neutron scattering

    International Nuclear Information System (INIS)

    Muehlbauer, Sebastian C.

    2009-01-01

    In this thesis, we present a comprehensive small angle neutron scattering study of the vortex lattice (VL) in an ultra-pure Nb single crystal sample, characterized by a residual resistivity ratio of ∝ 10 4 . We systematically investigate the morphology of vortex structures with the magnetic field applied along a four-fold left angle 100 right angle axis. We succeed to deconvolute the general morphology of the VL and its orientation to three dominant mechanisms: First, non-local contributions, second, the transition between open and closed Fermi surface sheets and, third, the intermediate mixed state (IMS) between the Meissner and the Shubnikov phase. We present first time microscopic measurements of the intrinsic bulk VL tilt modulus c 44 by means of time resolved stroboscopic small angle neutron scattering in combination with a tailored magnetic field setup. In our study we find that the VL in Nb responds to an external force - in the form of a changed magnetic field - with an exponential relaxation. As expected, the relaxation process shows increasing VL stiffness with increasing magnetic field and reduced damping with increasing temperature. Besides this general trend, we observe a dramatic changeover of the relaxation process associated with the non-trivial VL morphology in the IMS and the crossover from attractive to repulsive vortex-vortex interaction. Furthermore we use small angle neutron scattering to establish the existence of a skyrmion lattice in the A-phase of MnSi. Due to a parallel alignment of the magnetic field with respect to the neutron beam, we are able to resolve the complete magnetic structure of the A-phase: The structure in the A-phase, reminiscent of a vortex lattice, consists of topological knots of the magnetization with particle-like properties, arranged in a regular six-fold lattice. The orientation of this lattice is strictly driven by the orientation of the applied magnetic field, regardless of the underlying crystal symmetry. The

  9. Vortex lattices in superconducting niobium and skyrmion lattices in chiral MnSi. An investigation by neutron scattering

    Energy Technology Data Exchange (ETDEWEB)

    Muehlbauer, Sebastian C

    2009-12-10

    In this thesis, we present a comprehensive small angle neutron scattering study of the vortex lattice (VL) in an ultra-pure Nb single crystal sample, characterized by a residual resistivity ratio of {proportional_to} 10{sup 4}. We systematically investigate the morphology of vortex structures with the magnetic field applied along a four-fold left angle 100 right angle axis. We succeed to deconvolute the general morphology of the VL and its orientation to three dominant mechanisms: First, non-local contributions, second, the transition between open and closed Fermi surface sheets and, third, the intermediate mixed state (IMS) between the Meissner and the Shubnikov phase. We present first time microscopic measurements of the intrinsic bulk VL tilt modulus c{sub 44} by means of time resolved stroboscopic small angle neutron scattering in combination with a tailored magnetic field setup. In our study we find that the VL in Nb responds to an external force - in the form of a changed magnetic field - with an exponential relaxation. As expected, the relaxation process shows increasing VL stiffness with increasing magnetic field and reduced damping with increasing temperature. Besides this general trend, we observe a dramatic changeover of the relaxation process associated with the non-trivial VL morphology in the IMS and the crossover from attractive to repulsive vortex-vortex interaction. Furthermore we use small angle neutron scattering to establish the existence of a skyrmion lattice in the A-phase of MnSi. Due to a parallel alignment of the magnetic field with respect to the neutron beam, we are able to resolve the complete magnetic structure of the A-phase: The structure in the A-phase, reminiscent of a vortex lattice, consists of topological knots of the magnetization with particle-like properties, arranged in a regular six-fold lattice. The orientation of this lattice is strictly driven by the orientation of the applied magnetic field, regardless of the underlying

  10. Large-area photonic crystals

    Science.gov (United States)

    Ruhl, Tilmann; Spahn, Peter; Hellmann, Gotz P.; Winkler, Holger

    2004-09-01

    Materials with a periodically modulated refractive index, with periods on the scale of light wavelengths, are currently attracting much attention because of their unique optical properties which are caused by Bragg scattering of the visible light. In nature, 3d structures of this kind are found in the form of opals in which monodisperse silica spheres with submicron diameters form a face-centered-cubic (fcc) lattice. Artificial opals, with the same colloidal-crystalline fcc structure, have meanwhile been prepared by crystallizing spherical colloidal particles via sedimentation or drying of dispersions. In this report, colloidal crystalline films are introduced that were produced by a novel technique based on shear flow in the melts of specially designed submicroscopic silica-polymer core-shell hybrid spheres: when the melt of these spheres flows between the plates of a press, the spheres crystallize along the plates, layer by layer, and the silica cores assume the hexagonal order corresponding to the (111) plane of the fcc lattice. This process is fast and yields large-area films, thin or thick. To enhance the refractive index contrast in these films, the colloidal crystalline structure was inverted by etching out the silica cores with hydrofluoric acid. This type of an inverse opal, in which the fcc lattice is formed by mesopores, is referred to as a polymer-air photonic crystal.

  11. Comment on 'Magic strains in face-centered and body-centered cubic lattices'

    Energy Technology Data Exchange (ETDEWEB)

    Waal, B.W. van de (Technische Hogeschool Twente, Enschede (Netherlands). Dept. of Physics)

    1990-03-01

    The six symmetry-related so-called magic strain tensors that transform a f.c.c. lattice (or a b.c.c. lattice) into itself, which have been reported recently by Boyer are not unique: An infinite number of displacement tensors can be constructed that transform one lattice into another, or into itself. There is no connection with fivefold symmetry, other than that in any f.c.c. crystal. (orig.).

  12. Rotation of dust plasma crystals in an axial magnetic field

    International Nuclear Information System (INIS)

    Cheung, F.; Prior, N.; Mitchell, L.

    2000-01-01

    Full text: Micron-sized melamine formaldehyde particles were introduced into argon plasma. As a result, the particles were negatively charged due to collision with the electrons within the plasma. With the right conditions, these particles formed a stable macroscopic crystal lattice, known as dust plasma crystal. In our experiment we conduct at Flinders University, we apply an external axial magnetic field to various configurations of dust plasma crystal. These configurations include small crystal lattices consisting of one to several particles, and large crystal lattices with many hundreds of particles. The magnetic field strength ranged from 0-32G and was uniform over the extent of the crystal. The crystals were observed to be rotating collectively in the left-handed direction under the influence of the axial magnetic field. In the case of the large crystals, the angular velocity was about 2 complete rotations per minute and was proportional to the applied magnetic field. The angular velocity changes only slightly depending on the plasma conditions. Neither radial variance in the angular velocity nor shear velocity in the vertical direction was observed in the crystal's rotational motion. In the case of the small crystals, we managed to rotate 2-6 particles (whether they are planar, 2 layers or tetrahedral). We discovered that the ease and the uniformity of the rotation of the different crystals increase as its rotational symmetry increases. Also an increase in the magnetic field strength will correspond to an increase in the angular velocity. Crystals in the shape of an annulus were also tested for theoretical reasons. The poster presentation will contain the experimental procedures, a detailed analysis and an explanation for such dust plasma crystal rotational motion

  13. Entropy-driven crystal formation on highly strained substrates

    KAUST Repository

    Savage, John R.; Hopp, Stefan F.; Ganapathy, Rajesh; Gerbode, Sharon J.; Heuer, Andreas; Cohen, Itai

    2013-01-01

    the crucial role of entropy in heteroepitaxy in this technologically important regime. Ultimately, this entropic component of lattice mismatched crystal growth could be used to develop unique methods for heterogeneous nucleation and growth of single crystals

  14. Finite element method analysis of band gap and transmission of two-dimensional metallic photonic crystals at terahertz frequencies.

    Science.gov (United States)

    Degirmenci, Elif; Landais, Pascal

    2013-10-20

    Photonic band gap and transmission characteristics of 2D metallic photonic crystals at THz frequencies have been investigated using finite element method (FEM). Photonic crystals composed of metallic rods in air, in square and triangular lattice arrangements, are considered for transverse electric and transverse magnetic polarizations. The modes and band gap characteristics of metallic photonic crystal structure are investigated by solving the eigenvalue problem over a unit cell of the lattice using periodic boundary conditions. A photonic band gap diagram of dielectric photonic crystal in square lattice array is also considered and compared with well-known plane wave expansion results verifying our FEM approach. The photonic band gap designs for both dielectric and metallic photonic crystals are consistent with previous studies obtained by different methods. Perfect match is obtained between photonic band gap diagrams and transmission spectra of corresponding lattice structure.

  15. Buried Porous Silicon-Germanium Layers in Monocrystalline Silicon Lattices

    Science.gov (United States)

    Fathauer, Robert W. (Inventor); George, Thomas (Inventor); Jones, Eric W. (Inventor)

    1998-01-01

    Monocrystalline semiconductor lattices with a buried porous semiconductor layer having different chemical composition is discussed and monocrystalline semiconductor superlattices with a buried porous semiconductor layers having different chemical composition than that of its monocrystalline semiconductor superlattice are discussed. Lattices of alternating layers of monocrystalline silicon and porous silicon-germanium have been produced. These single crystal lattices have been fabricated by epitaxial growth of Si and Si-Ge layers followed by patterning into mesa structures. The mesa structures are strain etched resulting in porosification of the Si-Ge layers with a minor amount of porosification of the monocrystalline Si layers. Thicker Si-Ge layers produced in a similar manner emitted visible light at room temperature.

  16. Electrostatic instability of some jellium model lattices of high symmetry to their plane cleavage

    International Nuclear Information System (INIS)

    Kholopov, Eugene V; Kalashnikova, Vita V

    2007-01-01

    Jellium model structures composed of regular lattices of equal point charges immersed in a neutralizing uniform background are considered. The symmetric description eliminating the effect of potentials without transverse structural modulation is extended to the events specified by alternating distances between point-charge planes. Based on modulated potentials typical of plane-wise lattice summation, the energy of interaction between two semi-infinite hemi-crystals divided by a plane is obtained for cubic and hexagonal crystals, where all the characteristic orientations of the cleavage plane are taken into account. We found that simple cubic and hexagonal lattices, as well as cubic and hexagonal diamond structures, turn out to be unstable for certain cleavage planes. The most favourable cleavage planes for the bcc, fcc and hcp structures are also emphasized

  17. Photonic crystals: features and applications (physics research and technology)

    CERN Document Server

    2013-01-01

    The present book is focused on the study of unprecedented control and manipulation of light by photonic crystals (PCs) and their applications. These are micro- or usually nano-structures composed of periodic indexes of refraction of dielectrics with high refractive index contrast. They exhibit optical frequency band gaps in analogy to electronic bands for a periodic potential of a semiconductor crystal lattice. The gemstone opal and butterflys feathers colours are already referred to as natural examples of photonic crystals. The characteristics of such supper-lattices were first reported by Yablonovitch in 1987. The exploitation of photonic crystals is a promising tool in communication, sensors, optical computing, and nanophotonics. Discussed are the various features of one-dimensional (1D) and two-dimensional (2D) photonic crystals, photonic quasi crystals, heterostuctures and PC fibres under a variety of conditions using several materials, and metamaterials. It also focuses on the applications of PCs in opt...

  18. Experimental evidence for flux-lattice melting. [in high-Tc superconductors

    Science.gov (United States)

    Farrell, D. E.; Rice, J. P.; Ginsberg, D. M.

    1991-01-01

    A low-frequency torsional oscillator has been used to search for flux-lattice melting in an untwinned single crystal of YBa2Cu3O(7-delta). The damping of the oscillator was measured as a function of temperature, for applied magnetic fields in the range H = 0.1-2.3 T. A remarkably sharp damping peak has been located. It is suggested that the temperature of the peak corresponds to the melting point of the Abrikosov flux lattice.

  19. About some practical aspects of X-ray diffraction : From single crystal to powders

    Energy Technology Data Exchange (ETDEWEB)

    Giacovazzo, C [Bari Univ. (Italy). Dip. Geomineralogico

    1996-09-01

    An ideal polycrystalline material or power is an ensemble of a very large number of randomly oriented crystallites. It is shown the effect that this random orientation has on the diffraction of a specimen assumed to contain only one reciprocal lattice node. The most remarkable difference with the single-crystal case is that now must think of scattering vectors not as lying on discrete nodes of reciprocal lattice vectors, the distances from the single-crystal reciprocal lattice nodes to the origin of reciprocal space.

  20. About some practical aspects of X-ray diffraction : From single crystal to powders

    International Nuclear Information System (INIS)

    Giacovazzo, C.

    1996-01-01

    An ideal polycrystalline material or power is an ensemble of a very large number of randomly oriented crystallites. It is shown the effect that this random orientation has on the diffraction of a specimen assumed to contain only one reciprocal lattice node. The most remarkable difference with the single-crystal case is that now must think of scattering vectors not as lying on discrete nodes of reciprocal lattice vectors, the distances from the single-crystal reciprocal lattice nodes to the origin of reciprocal space

  1. Experimental and theoretical investigation of lattice defect structures in a series of Zn, Fe-doped nonstoichiometric lithium niobate

    International Nuclear Information System (INIS)

    Guo Fengyun; Lue Qiang; Sun Liang; Li Hongtao; Zhen Xihe; Xu Yuheng; Zhao Liancheng

    2006-01-01

    A series of the double doped lithium niobate (LiNbO 3 , LN) single crystals had been grown by Czochralski method. The Curie temperatures of various concentrations doped or [Li]/[Nb] ratio LN crystals measured by differential thermal analysis (DTA) were discussed to investigate their defect structures with Safaryan et al. new approach about LN lattice defect structure using Curie temperatures calculated. Infrared transmission spectra of various concentrations doped were used to compare the investigation above. The results show that the lithium vacancy model is the more probable to describe the lattice defect structure of the doped LN single crystal

  2. Growth and Characterization of ZnTe Crystal

    International Nuclear Information System (INIS)

    Nann Thazin

    2011-12-01

    High quality ZnTe crystals have been synthesized by vapor Transport method. The grown crystals were p-type. The concentration and mobility were 2.5 x 10 16 cm-3 and 23 cm2/Vs at 300K, according to Hall effect measurements. Surface morphology of the crystal was investigated by scanning electron microscope (SEM). Crystal orientation and lattice parameters of the crystals were also analysed by XRD. From X-ray diffraction studies the structure of the grown crystals were found to be zinc-blende. The crystal emitted light in the visible range at room temperature.

  3. Ultrasonic characterization of Cu-Al-Ni single crystals lattice stability in the vicinity of the phase transition.

    Science.gov (United States)

    Landa, Michal; Novák, Václav; Sedlák, Petr; Sittner, Petr

    2004-04-01

    Measurements of elastic constants of the austenite phase when approaching the phase transformation either upon cooling or stressing is of the crucial interest for the shape memory alloy field. Acoustic properties (wave velocity and also attenuation changes) of the Cu-Al-Ni single crystal were investigated in situ during stress-induced martensitic transformation at constant (room) temperature. The parent austenite cubic lattice of the Cu-Al-Ni exhibits very high elastic anisotropy (anisotropy factor A approximately 12). The measurements were made using nine combinations of (i) applied uniaxial compression in a given crystal direction, (ii) the wave propagation and (iii) polarization vectors. The chosen configurations are sufficient for evaluation of all independent third order elastic constants (TOEC). The longitudinal modes were also measured by the immersion technique, using the transducer pair in a water tank installed on the testing machine. The device works as "a ultrasonic extensometer" measuring a transverse strain of the specimen. The dependencies of both natural and initial wave velocities on the applied stress may be evaluated. Three elastic constants of the stress-induced martensite were determined. The elastic properties were found to vary with the increasing stress above the Ms transformation temperature, which is interpreted as a precursor for the martensitic transformation. The onset of the transformation was additionally identified from the acoustic emission measurement.

  4. Inelastic light scattering in crystals

    Science.gov (United States)

    Sushchinskii, M. M.

    The papers presented in this volume are concerned with a variety of problems in optics and solid state physics, such as Raman scattering of light in crystals and disperse media, Rayleigh and inelastic scattering during phase transitions, characteristics of ferroelectrics in relation to the general soft mode concept, and inelastic spectral opalescence. A group-theory approach is used to classify the vibrational spectra of the crystal lattice and to analyze the properties of idealized crystal models. Particular attention is given to surface vibrational states and to the study of the surface layers of crystals and films by light scattering methods.

  5. Non-conservative dynamics of lattice sites near a migrating interface in a diffusional phase transformation

    International Nuclear Information System (INIS)

    Yang, T.; Gao, Y.; Wang, D.; Shi, R.P.; Chen, Z.; Nie, J.F.; Li, J.; Wang, Y.

    2017-01-01

    Migration of phase boundaries in crystalline solids eliminates one set of lattice sites and establishes another. Using a combination of phase field crystal modeling and crystallographic analysis, we present here a complete atomistic description of the migration mechanism of a high-index planar interface during a diffusional hexagon to square phase transformation. In particular we show that a terrace-step interface advances macroscopically in the form of growth ledges, while microscopically its migration occurs by opposite shearing on the terraces and a one-to-two splitting of lattice sites, giving a new class of lattice site correspondence and superabundant vacancies. In addition, a new approach capable of finding a critical nucleus with atomic resolution is developed by combining the phase field crystal energetics with the free-end nudged elastic band algorithm.

  6. All optical detection of picosecond spin-wave dynamics in 2D annular antidot lattice

    Science.gov (United States)

    Porwal, Nikita; Mondal, Sucheta; Choudhury, Samiran; De, Anulekha; Sinha, Jaivardhan; Barman, Anjan; Datta, Prasanta Kumar

    2018-02-01

    Novel magnetic structures with precisely controlled dimensions and shapes at the nanoscale have potential applications in spin logic, spintronics and other spin-based communication devices. We report the fabrication of 2D bi-structure magnonic crystal in the form of embedded nanodots in a periodic Ni80Fe20 antidot lattice structure (annular antidot) by focused ion-beam lithography. The spin-wave spectra of the annular antidot sample, studied for the first time by a time-resolved magneto-optic Kerr effect microscopy show a remarkable variation with bias field, which is important for the above device applications. The optically induced spin-wave spectra show multiple modes in the frequency range 14.7 GHz-3.5 GHz due to collective interactions between the dots and antidots as well as the annular elements within the whole array. Numerical simulations qualitatively reproduce the experimental results, and simulated mode profiles reveal the spatial distribution of the spin-wave modes and internal magnetic fields responsible for these observations. It is observed that the internal field strength increases by about 200 Oe inside each dot embedded within the hole of annular antidot lattice as compared to pure antidot lattice and pure dot lattice. The stray field for the annular antidot lattice is found to be significant (0.8 kOe) as opposed to the negligible values of the same for the pure dot lattice and pure antidot lattice. Our findings open up new possibilities for development of novel artificial crystals.

  7. Multiple x-ray diffraction applied to the study of crystal impurities

    International Nuclear Information System (INIS)

    Cardoso, L.P.

    1983-06-01

    The x-ray multiple diffraction technique is used in the study of impurities concentration and localization in the crystal lattice, implemented with the fundamental observation that the impurities cannot be distributed with the same spatial group symmetry of the crystal. This fact could introduce scattered intensity in the crystal reciprocal lattice forbidden nodes. This effect was effectively observed in multiple diffraction diagrams, where a reinforcement of the scattered intensity in the pure crystal is produced, when choosing conveniently the involved reflections. The reflectivity theory was developed in the kinematic case, which take into account the scattering by the impurities atoms, and the analysis showed that, in the first approximation, the impurities can influence both in the allowed and forbidden positions for the pure crystal. (L.C.J.A.)

  8. Size dependences of crystal structure and magnetic properties of DyMnO{sub 3} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Tajiri, T., E-mail: tajiri@fukuoka-u.ac.jp [Faculty of Science, Fukuoka University, Fukuoka 814-0180 (Japan); Terashita, N.; Hamamoto, K.; Deguchi, H.; Mito, M. [Faculty of Engineering, Kyushu Institute of Technology, Kitakyushu 804-8550 (Japan); Morimoto, Y.; Konishi, K. [Graduate School of Science and Engineering, Ehime University, Matsuyama 790-8577 (Japan); Kohno, A. [Faculty of Science, Fukuoka University, Fukuoka 814-0180 (Japan)

    2013-11-15

    We synthesized DyMnO{sub 3} nanoparticles with particle sizes of about 7.5–15.3 nm in the pores of mesoporous silica and investigated their crystal structure and magnetic properties. As the particle size decreased, the lattice constants of the DyMnO{sub 3} nanoparticles deviated from those of the bulk crystal, and the Jahn–Teller distortion in the nanoparticle systems decreased. In addition, the estimated lattice strain increased with decreasing particle size. The DyMnO{sub 3} nanoparticles showed superparamagnetic behavior. The blocking temperature and the coercive field increased with decreasing particle size, and this behavior was contrary to the usual magnetic size effects. It is deduced that these unique size dependences of the magnetic properties for the DyMnO{sub 3} nanoparticles were derived from the changes in lattice constants and lattice strain. The anisotropic lattice deformation in the crystal structure of the nanoparticles induces an enhancement of the magnetic anisotropy, which results in the increase in blocking temperature and coercive field with decreasing particle size. - Highlights: • We successfully synthesized DyMnO{sub 3} nanoparticles with particle size of 7.5–15.3 nm. • Lattice strain increases with decreasing particle size. • Lattice constants exhibit anisotropic change with decreasing particle size. • Distortion of crystal structure leads to enhancement of magnetic anisotropy constant. • Blocking temperature and coercive field increases with decreasing particle size.

  9. Effect of reactor neutron radiation and temperature on the structure of InP single crystals

    International Nuclear Information System (INIS)

    Bojko, V.M.; Kolin, N.G.; Merkurisov, D.I.; Bublik, V.T.; Voronova, M.I.; Shcherbachev, K.D.

    2006-01-01

    The structural characteristics of InP single crystals have been investigated depending on the radiation effects produced by fast and full spectrum neutrons and subsequent heat treatment. A lattice period in InP single crystals decreases under neutron irradiation. Fast neutrons make the main contribution into the change of the lattice period. Availability of the thermal neutrons initiates the formation of Sn atoms, but does not make a significant influence on the change of the lattice period. Heat treatment of the irradiated samples up to 600 deg C causes the annealing of radiation defects and recovery of the lattice period. With increasing neutron fluences a lattice period becomes even higher than before irradiation [ru

  10. Lattice Transparency of Graphene.

    Science.gov (United States)

    Chae, Sieun; Jang, Seunghun; Choi, Won Jin; Kim, Youn Sang; Chang, Hyunju; Lee, Tae Il; Lee, Jeong-O

    2017-03-08

    Here, we demonstrated the transparency of graphene to the atomic arrangement of a substrate surface, i.e., the "lattice transparency" of graphene, by using hydrothermally grown ZnO nanorods as a model system. The growth behaviors of ZnO nanocrystals on graphene-coated and uncoated substrates with various crystal structures were investigated. The atomic arrangements of the nucleating ZnO nanocrystals exhibited a close match with those of the respective substrates despite the substrates being bound to the other side of the graphene. By using first-principles calculations based on density functional theory, we confirmed the energetic favorability of the nucleating phase following the atomic arrangement of the substrate even with the graphene layer present in between. In addition to transmitting information about the atomic lattice of the substrate, graphene also protected its surface. This dual role enabled the hydrothermal growth of ZnO nanorods on a Cu substrate, which otherwise dissolved in the reaction conditions when graphene was absent.

  11. Temperature effect on phase states of quartz nano-crystals in silicon single crystal

    International Nuclear Information System (INIS)

    Kalanov, M.U.; Ibragimova, E.M.; Khamraeva, R.N.; Rustamova, V.M.; Ummatov, Kh.D.

    2006-01-01

    Full text: Oxygen penetrates into the silicon lattice up to the concentration of 2·10 18 cm -3 in the course of growing [1]. By the author's opinion at a low oxygen content the formation of solid solution is possible in the local defect places of the silicon single crystal lattice due to the difference in effective ion radius of oxygen and silicon (r O 0.176 and r Si = 0.065 nm). Upon reaching some critical content (∼ 10 17 cm -3 ), it becomes favorable energetically for oxygen ions to form precipitates (SiO x ) and finally a dielectric layer (stoichiometric inclusions of SiO 2 ). It was shown later that depending on the growth conditions, indeed the quartz crystal inclusions are formed in the silicon single crystals at an amount of 0.3 /0.5 wt. % [2]. However the authors did not study a phase state of the quartz inclusions. Therefore the aim of this work was to study a phase state of the quartz inclusions in silicon crystal at various temperatures. We examined the silicon single crystals grown by Czochralski technique, which were cut in (111) plane in the form of disk of 20 mm diameter and 1.5 thickness and had hole conductivity with the specific resistance ρ o ≅ 1/10 Ohm cm. The dislocation density was N D ≅ 10 1 /10 3 cm -2 , the concentrations of oxygen and boron were N 0 ≅ 2/ 4·10 17 cm -3 and N B ≅ 3*10 15 cm -3 . Structure was analyzed at the set-up DRON-UM1 with high temperature supply UVD-2000 ( CuK = 0.1542 nm) at the temperatures of 300, 1173 and 1573 K measured with platinum-platinum-rhodium thermocouple. The high temperature diffraction spectrum measured at 1573 K in the angle range (2Θ≅10/70 d egree ) there is only one main structure reflection (111) with a high intensity and d/n ≅ 0.3136 nm (2 Θ≅ 28.5 d egree ) from the matrix lattice of silicon single crystal. The weak line at 2 Θ≅ 25.5 d egree ( d/n≅0.3136 nm) is β component of the main reflection (111), and the weak structure peak at 2Θ≅59 d egree ( d/n≅ 0.1568 nm

  12. Crystal field analysis of Pm$^{3+}$ (4$^{f4}) and Sm$^{3+}$ (4$^{f5}) and lattice location studies of $^{147}$Nd and $^{147}$Pm in w-AlN

    CERN Document Server

    Vetter, Ulrich; Nijjar, Anmol S; Zandi, Bahram; Öhl, Gregor; Wahl, Ulrich; De Vries, Bart; Hofsäss, Hans; Dietrich, Marc

    2006-01-01

    We report a detailed crystal field analysis of Pm3+ and Sm3+ as well as lattice location studies of 147Pm and 147Nd in 2H-aluminum nitride (w-AlN). The isotopes of mass 147 were produced by nuclear fission and implanted at an energy of 60 keV. The decay chain of interest in this work is 147Nd→147Pm→147Sm (stable). Lattice location studies applying the emission channeling technique were carried out using the β− particles and conversion electrons emitted in the radioactive decay of 147Nd→147Pm. The samples were investigated as implanted, and also they were investigated after annealing to temperatures of 873 K as well as 1373 K. The main fraction of about 60% of both 147Pm as well as 147Nd atoms was located on substitutional Al sites in the AlN lattice; the remainder of the ions were located randomly within the AlN lattice. Following radioactive decay of 147Nd, the cathodoluminescence spectra of Pm3+ and Sm3+ were obtained between 500 nm and 1050 nm at sample temperatures between 12 K and 300 K. High-re...

  13. Lattice damage assessment and optical waveguide properties in LaAlO3 single crystal irradiated with swift Si ions

    Science.gov (United States)

    Liu, Y.; Crespillo, M. L.; Huang, Q.; Wang, T. J.; Liu, P.; Wang, X. L.

    2017-02-01

    As one of the representative ABO3 perovskite-structured oxides, lanthanum aluminate (LaAlO3) crystal has emerged as one of the most valuable functional-materials, and has attracted plenty of fundamental research and promising applications in recent years. Electronic, magnetic, optical and other properties of LaAlO3 strongly depend on its crystal structure, which could be strongly modified owing to the nuclear or electronic energy loss deposited in an ion irradiation environment and, therefore, significantly affecting the performance of LaAlO3-based devices. In this work, utilizing swift (tens of MeV) Si-ion irradiation, the damage behavior of LaAlO3 crystal induced by nuclear or electronic energy loss has been studied in detail utilizing complementary characterization techniques. Differing from other perovskite-structured crystals in which the electronic energy loss could lead to the formation of an amorphous region based on the thermal spike mechanism, in this case, intense electronic energy loss in LaAlO3 will not induce any obvious structural damage. The effects of ion irradiation on the mechanical properties, including hardness increase and elastic modulus decrease, have been confirmed. On the other hand, considering the potential applications of LaAlO3 in the field of integrated optoelectronics, the optical-waveguide properties of the irradiation region have been studied. The significant correspondence (symmetrical inversion) between the iWKB-reconstructed refractive-index profile and SRIM-simulated dpa profile further proves the effects (irradiation-damage production and refractive-index decrease) of nuclear energy loss during the swift-ion penetration process in LaAlO3 crystal. In the case of the rather-thick damage layer produced by swift-ion irradiation, obtaining a damage profile will be constrained owing to the analysis-depth limitation of the characterization techniques (RBS/channeling), and our analysis process (optical guided-mode measurement and

  14. Magnetic properties in kagomé lattice with RKKY interaction: A Monte Carlo study

    Energy Technology Data Exchange (ETDEWEB)

    Masrour, R., E-mail: rachidmasrour@hotmail.com [Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, 63, 46000 Safi (Morocco); Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014, Rabat (Morocco); Jabar, A. [Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014, Rabat (Morocco); Benyoussef, A. [Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014, Rabat (Morocco); Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Hassan II Academy of Science and Technology, Rabat (Morocco); Hamedoun, M. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco)

    2016-03-01

    The magnetic properties of the kagomé lattice have been studied with Ruderman–Kittel–Kasuya–Yosida (RKKY) exchange interactions in a spin-7/2 Ising model using Monte Carlo simulations. The RKKY interaction between the two magnetic layers is considered for different distances. The magnetizations and magnetic susceptibilities of this lattice are given for different triquadratic interactions around each triangular face. The critical temperature is obtained for a fixed size. The magnetic hysteresis cycle of kagomé lattice with RKKY interactions is obtained for different temperatures and for different crystal field with a fixed size of nonmagnetic layer. - Highlights: • We study the RKKY interaction in kagomé lattice using the Monte Carlo simulations. • The transition temperature is obtained for kagomé lattice with RKKY interaction. • The coercive field is obtained for kagomé lattice with RKKY interaction.

  15. Piezoelectricity and pyroelectricity in polyvinylidene fluoride - Influence of the lattice structure

    Science.gov (United States)

    Purvis, C. K.; Taylor, P. L.

    1983-01-01

    Piezoelectric and pyroelectric responses of beta-phase (Phase I) polyvinylidene fluoride are predicted for a model system of polarizable point dipoles. The model incorporates the influence of the orthorhombic crystal structure by including the dependence of the internal electric field on the lattice parameters. Strong anisotropy in the piezoelectric response under uniaxial stress is predicted as a consequence of the orthorhombic lattice structure. Predictions are found to be in reasonable agreement with room-temperature experimental data.

  16. Dynamic hysteresis behaviors in the kinetic Ising system on triangular lattice

    Science.gov (United States)

    Kantar, Ersin; Ertaş, Mehmet

    2018-04-01

    We studied dynamic hysteresis behaviors of the spin-1 Blume-Capel (BC) model in a triangular lattice by means of the effective-field theory (EFT) with correlations and using Glauber-type stochastic dynamics. The effects of the exchange interaction (J), crystal field (D), temperature (T) and oscillating frequency (w) on the hysteresis behaviors of the BC model in a triangular lattice are investigated in detail. Results are compared with some other dynamic studies and quantitatively good agreement is found.

  17. The nature of γ-hydride in crept zirconium single crystals

    International Nuclear Information System (INIS)

    Akhtar, A.

    1977-01-01

    Single crystals prepared from crystal bar zirconium have been subjected to uniaxial tensile-creep under a vacuum of 10 -4 Pa for 160 h. Transmission electron microscopy of crept crystals has revealed the presence of thin fct γ-zirconium hydride platelets lying parallel to (1100) planes and elongated along the [1120]sub(α) direction. The platelets maintain the following lattice relationship with the hcp (α) matrix: [1120]sub(α)//[110]sub(γ), (0001)sub(α)//(001)sub(γ). This relationship is different from that obtained for needle γ-hydride generally observed in quenched samples. Lattice misfit calculations indicate that the platelets have a large positive misfit normal to the plane of the disc and a small misfit in the plane of the disc, which remains parallel to (1010)sub(α). Displacement fringe contrast is observed inside the platelets under conditions consistent with the lattice misfit. It is proposed that the nucleation of these precipitates occurs at stacking faults in the presence of applied stress. (Auth.)

  18. Atomistic modelling study of lanthanide incorporation in the crystal lattice of an apatite

    International Nuclear Information System (INIS)

    Louis-Achille, V.

    1999-01-01

    Studies of natural and synthetic apatites allow to propose such crystals as matrix for nuclear waste storage. The neodymium substituted britholite, Ca 9 Nd(PO 4 ) 5 (SiO 4 )F 2 . is a model for the trivalent actinide storage Neodymium can be substituted in two types of sites. The aim of this thesis is to compare the chemical nature of this two sites in fluoro-apatite Ca 9 (PO 4 ) 6 F 2 and then in britholite, using ab initio atomistic modeling. Two approaches are used: one considers the infinite crystals and the second considers clusters. The calculations of the electronic structure for both were performed using Kohn and Sham density functional theory in the local approximation. For solids, pseudopotentials were used, and wave functions are expanded in plane waves. For clusters, a frozen core approximation was used, and the wave functions are expanded in a linear combination of Slater type atomic orbitals. The pseudopotential is semi-relativistic for neodymium, and the Hamiltonian is scalar relativistic for the clusters. The validation of the solid approach is performed using two test cases: YPO 4 and ScPO 4 . Two numerical tools were developed to compute electronic deformation density map, and calculate partial density of stases. A full optimisation of the lattice parameters with a relaxation of the atomic coordinates leads to correct structural and thermodynamic properties for the fluoro-apatite, compared to experience. The electronic deformation density maps do not show any significant differences. between the two calcium sites. but Mulliken analysis on the solid and on the clusters point out the more ionic behavior of the calcium in site 2. A neodymium substituted britholite is then studied. Neodymium location only induces local modifications in; the crystalline structure and few changes in the formation enthalpy. The electronic study points out an increase of the covalent character the bonding involving neodymium compared with the one related to calcium

  19. Indexing in single-crystal diffractometry with an obstinate list of reflections

    International Nuclear Information System (INIS)

    Duisenberg, A.J.M.

    1992-01-01

    An indexing method for single-crystal diffractometry is described which is applicable to especially difficult cases such as twin lattices, incommensurate structures, fragmented crystals, long axes and unreliable data. Finding the reciprocal lattice from a cloud of reciprocal-lattice points (reflections) is reduced to finding elementary periods in one-dimensional rows, obtained by projecting all observed points onto the normal to the plane formed by any three of these points. Row periodicity and offending reflections are easily recognized. Each row, by its direction and (reciprocal) spacing, defines one direct axis vector, based upon all cooperating observations. From the direct vectors so obtained a primitive direct cell is chosen and refined against the fitting reflections. The result is one main lattice, or a main lattice and a set of alien reflections. The method operates semi-automatically in the program DIRAX and has been tested, without failure, on hundreds of CAD4 reflection files, among which there were many auto-indexing-resistant lists. (orig.)

  20. Monte Carlo simulation of continuous-space crystal growth

    International Nuclear Information System (INIS)

    Dodson, B.W.; Taylor, P.A.

    1986-01-01

    We describe a method, based on Monte Carlo techniques, of simulating the atomic growth of crystals without the discrete lattice space assumed by conventional Monte Carlo growth simulations. Since no lattice space is assumed, problems involving epitaxial growth, heteroepitaxy, phonon-driven mechanisms, surface reconstruction, and many other phenomena incompatible with the lattice-space approximation can be studied. Also, use of the Monte Carlo method circumvents to some extent the extreme limitations on simulated timescale inherent in crystal-growth techniques which might be proposed using molecular dynamics. The implementation of the new method is illustrated by studying the growth of strained-layer superlattice (SLS) interfaces in two-dimensional Lennard-Jones atomic systems. Despite the extreme simplicity of such systems, the qualitative features of SLS growth seen here are similar to those observed experimentally in real semiconductor systems

  1. Adjustment of a two-block X-ray interferometer and absolute measurement of lattice spacing

    International Nuclear Information System (INIS)

    Nakayama, Kan

    1994-01-01

    X-ray interferometer was invented in 1965 by Bonse and Hart, and it uses the lattice surface of a silicon single crystal as a three-dimensional diffraction lattice. It divides X-ray coherently, changes direction, combines and causes interference. It made for the first time the interference effect of X-ray into the usable form in macroscopic world. As an example of the application of X-ray interferometers to basic science, there is the absolute measurement of lattice spacing. This is the method of simultaneously measuring the same displacement with an X-ray interferometer and a light wave interferometer, and doing the absolute measurement of the lattice spacing of crystals with light wavelength. Avogadro constant is the constant that becomes the foundation of chemistry, and its relation with other basic constants is shown. The principle of X-ray interferometers is explained. As the elementary technologies for the absolute measurement of lattice spacing, the adjustment of X-ray interferometers, parallel movement table and angular adjustment table, light wave interferometer and the prevention of vibration and temperature change are described. The example of the measurement is reported. In order to improve the accuracy, the improvement of the equipment and the measurement in vacuum are prepared at present. (K.I.)

  2. Crystals in the LHC

    CERN Multimedia

    Antonella Del Rosso

    2012-01-01

    Bent crystals can be used to deflect charged particle beams. Their use in high-energy accelerators has been investigated for almost 40 years. Recently, a bent crystal was irradiated for the first time in the HiRadMat facility with an extreme particle flux, which crystals would have to withstand in the LHC. The results were very encouraging and confirmed that this technology could play a major role in increasing the beam collimation performance in future upgrades of the machine.   UA9 bent crystal tested with a laser. Charged particles interacting with a bent crystal can be trapped in channelling states and deflected by the atomic planes of the crystal lattice (see box). The use of bent crystals for beam manipulation in particle accelerators is a concept that has been well-assessed. Over the last three decades, a large number of experimental findings have contributed to furthering our knowledge and improving our ability to control crystal-particle interactions. In modern hadron colliders, su...

  3. Effect of a Nitrogen Impurity on the Fundamental Raman Band of Diamond Single Crystals

    Science.gov (United States)

    Gusakov, G. A.; Samtsov, M. P.; Voropay, E. S.

    2018-05-01

    The effect of nitrogen defects in natural and synthetic diamond single crystals on the position and half-width of the fundamental Raman band was investigated. Samples containing the main types of nitrogen lattice defects at impurity contents of 1-1500 ppm were studied. The parameters of the Stokes and anti-Stokes components in Raman spectra of crystals situated in a cell with distilled water to minimize the influence of heating by the exciting laser radiation were analyzed to determine the effect of a nitrogen impurity in the diamond crystal lattice. It was shown that an increase of impurity atoms in the crystals in the studied concentration range resulted in broadening of the Raman band from 1.61 to 2.85 cm-1 and shifting of the maximum to lower frequency from 1332.65 to 1332.3 cm-1. The observed effect was directly proportional to the impurity concentration and depended on the form of the impurity incorporated into the diamond lattice. It was found that the changes in the position and half-width of the fundamental Raman band for diamond were consistent with the magnitude of crystal lattice distortions due to the presence of impurity defects and obeyed the Gruneisen law.

  4. Single-crystal growth of ceria-based materials

    International Nuclear Information System (INIS)

    Ulbrich, Gregor

    2015-01-01

    In this work it could be shown that Skull-Melting is a suitable method for growing ceria single crystals. Twenty different ceria-based single crystals could be manufactured. It was possible to dope ceria single crystals with Gd, Sm, Y, Zr, Ti, Ta, and Pr in different concentrations. Also co-doping with the named metals was realized. However, there remain some problems for growing ceria-based single crystals by Skull-Melting. As ignition metal zirconium was used because no ceria-based material works well. For that reason all single crystals show small zirconium contamination. Another problem is the formation of oxygen by the heat-induced reduction of ceria during the melting process. Because of that the skull of sintered material is often destroyed by gas pressure. This problem had to be solved individually for every single crystal. The obtained single crystals were characterized using different methods. To ensure the single crystal character the y were examined by Laue diffraction. All manufactured crystals are single crystals. Also powder diffraction patterns of the milled and oxidized samples were measured. For the determination of symmetry and metric the structural parameters were analyzed by the Rietveld method. All synthesized materials crystallize in space group Fm-3m known from calcium fluoride. The cubic lattice parameter a was determined for all crystals. In the case of series with different cerium and zirconium concentrations a linear correlation between cerium content and cubic lattice parameter was detected. The elemental composition was determined by WDX. All crystals show a homogeneous elemental distribution. The oxygen content was calculated because the WDX method isn't useful for determination.

  5. Restoring the lattice of Si-based atom probe reconstructions for enhanced information on dopant positioning.

    Science.gov (United States)

    Breen, Andrew J; Moody, Michael P; Ceguerra, Anna V; Gault, Baptiste; Araullo-Peters, Vicente J; Ringer, Simon P

    2015-12-01

    The following manuscript presents a novel approach for creating lattice based models of Sb-doped Si directly from atom probe reconstructions for the purposes of improving information on dopant positioning and directly informing quantum mechanics based materials modeling approaches. Sophisticated crystallographic analysis techniques are used to detect latent crystal structure within the atom probe reconstructions with unprecedented accuracy. A distortion correction algorithm is then developed to precisely calibrate the detected crystal structure to the theoretically known diamond cubic lattice. The reconstructed atoms are then positioned on their most likely lattice positions. Simulations are then used to determine the accuracy of such an approach and show that improvements to short-range order measurements are possible for noise levels and detector efficiencies comparable with experimentally collected atom probe data. Copyright © 2015 Elsevier B.V. All rights reserved.

  6. Crystal structure and anisotropic magnetic properties of new ferromagnetic Kondo lattice compound Ce(Cu,Al,Si){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Maurya, A.; Thamizhavel, A.; Dhar, S.K. [Department of Condensed Matter Physics & Materials Science, Tata Institute of Fundamental Research, Homi Bhabha Road, Mumbai 400 005 (India); Provino, A.; Pani, M.; Costa, G.A. [Department of Chemistry, University of Genova, Via Dodecaneso 31, 16146 Genova (Italy); Institute SPIN-CNR, Corso Perrone 24, 16152 Genova (Italy)

    2017-03-15

    Single crystals of the new compound CeCu{sub 0.18}Al{sub 0.24}Si{sub 1.58} have been grown by high-temperature solution growth method using a eutectic Al-Si mixture as flux. This compound is derived from the binary CeSi{sub 2} (tetragonal α-ThSi{sub 2}-type, Pearson symbol tI12, space group I4{sub 1}/amd) obtained by partial substitution of Si by Cu and Al atoms but showing full occupation of the Si crystal site (8e). While CeSi{sub 2} is a well-known valence-fluctuating paramagnetic compound, the CeCu{sub 0.18}Al{sub 0.24}Si{sub 1.58} phase orders ferromagnetically at T{sub C}=9.3 K. At low temperatures the easy-axis of magnetization is along the a-axis, which re-orients itself along the c-axis above 30 K. The presence of hysteresis in the magnetization curve, negative temperature coefficient of resistivity at high temperatures, reduced jump in the heat capacity and a relatively lower entropy released up to the ordering temperature, and enhanced Sommerfeld coefficient (≈100 mJ/mol K{sup 2}) show that CeCu{sub 0.18}Al{sub 0.24}Si{sub 1.58} is a Kondo lattice ferromagnetic, moderate heavy fermion compound. Analysis of the high temperature heat capacity data in the paramagnetic region lets us infer that the crystal electric field split doublet levels are located at 178 and 357 K, respectively, and Kondo temperature (8.4 K) is of the order of T{sub C} in CeCu{sub 0.18}Al{sub 0.24}Si{sub 1.58}.

  7. Calculation of dynamic and electronic properties of perfect and defect crystals by semiempirical quantum mechanical methods

    International Nuclear Information System (INIS)

    Zunger, A.

    1975-07-01

    Semiempirical all-valence-electron LCAO methods, that were previously used to study the electronic structure of molecules are applied to three problems in solid state physics: the electronic band structure of covalent crystals, point defect problems in solids and lattice dynamical study of molecular crystals. Calculation methods for the electronic band structure of regular solids are introduced and problems regarding the computation of the density matrix in solids are discussed. Three models for treating the electronic eigenvalue problem in the solid, within the proposed calculation schemes, are discussed and the proposed models and calculation schemes are applied to the calculation of the electronic structure of several solids belonging to different crystal types. The calculation models also describe electronic properties of deep defects in covalent insulating crystals. The possible usefulness of the semieipirical LCAO methods in determining the first order intermolecular interaction potential in solids and an improved model for treating the lattice dynamics and related thermodynamical properties of molecular solids are presented. The improved lattice dynamical is used to compute phonon dispersion curves, phonon density of states, stable unit cell structure, lattice heat capacity and thermal crystal parameters, in α and γ-N 2 crystals, using the N 2 -N 2 intermolecular interaction potential that has been computed from the semiempirical LCAO methods. (B.G.)

  8. The effect of correlated and point defects on the vortex lattice melting transition in single crystal YBa2Cu3O7-δ

    International Nuclear Information System (INIS)

    Kwok, W.K.; Fleshler, S.; Welp, U.; Downey, J.; Crabtree, G.W.; Fendrich, J. Giapintzakis, J.

    1993-08-01

    The vortex melting transition T m in several untwinned and twinned crystals measured resistively in fields up to 8 Tesla. A Lindemann criterion for vortex lattice melting is obtained in addition to a sharp hysteresis in the magnetoresistance at B m supporting a first order phase transition. The anisotropy of twin boundary pinning and its reduction of the ''kink'' in ρ(T) associated with the first order melting transition is discussed in samples with very dilute twin boundaries. We also report on direct suppression of melting transition by intrinsic pinning for H parallel ab and by electron-irradiation-induced point defects

  9. High-resolution lattice-spacing comparator using SR

    International Nuclear Information System (INIS)

    Zhang, Xiaowei; Sugiyama, Hiroshi; Ando, Masami

    2004-01-01

    A novel lattice spacing measurement using a high-resolution self-reference d-spacing comparator has been described. Self selection of monochromatic synchrotron x-rays by a monolithic double channel-cut-crystal monochromator (MDCM) comprising silicon 2,6,4 and 6,2,4 reflections may lead to a stable, highly-collimated and narrow bandwidth beam. Also if utilizing 2,6,4 and 6,2,4 Bragg planes of a silicon sample, the interval between two associated Bragg peaks for the X-rays with wavelength of 0.13438 nm can be extremely small, so that the diffraction angle can be determined with high precision and the traveling time from one peak to the other can be marvelously reduced by the order of at least three compared to the established classical methods such as the Bond method. Thus this so-called self-reference comparator method can dramatically save measurement time and provide an absolute measurement on the basis of the x-ray wavelength of the MDCM, therefore a lattice spacing measurement with uncertainty of 10 -8 , for the 1mm 2 area on a silicon crystal within measurement time of a few ten seconds and has been achieved. (author)

  10. Investigation of 2D photonic crystal structure based channel drop filter using quad shaped photonic crystal ring resonator for CWDM system

    Energy Technology Data Exchange (ETDEWEB)

    Chhipa, Mayur Kumar, E-mail: mayurchhipa1@gmail.com; Dusad, Lalit Kumar [Government Engineering College Ajmer, Rajasthan (India); Rajasthan Technical University, Kota, Rajasthan (India)

    2016-05-06

    In this paper, the design & performance of two dimensional (2-D) photonic crystal structure based channel drop filter is investigated using quad shaped photonic crystal ring resonator. In this paper, Photonic Crystal (PhC) based on square lattice periodic arrays of Gallium Indium Phosphide (GaInP) rods in air structure have been investigated using Finite Difference Time Domain (FDTD) method and photonic band gap is being calculated using Plane Wave Expansion (PWE) method. The PhC designs have been optimized for telecommunication wavelength λ= 1571 nm by varying the rods lattice constant. The number of rods in Z and X directions is 21 and 20, with lattice constant 0.540 nm it illustrates that the arrangement of Gallium Indium Phosphide (GaInP) rods in the structure which gives the overall size of the device around 11.4 µm × 10.8 µm. The designed filter gives good dropping efficiency using 3.298, refractive index. The designed structure is useful for CWDM systems. This device may serve as a key component in photonic integrated circuits. The device is ultra compact with the overall size around 123 µm{sup 2}.

  11. Inverse gold photonic crystals and conjugated polymer coated opals for functional materials

    Energy Technology Data Exchange (ETDEWEB)

    Landon, P.B.; Gutierrez, Jose; Ferraris, John P.; Martinez, I.L.; Giridharagopal, Rajiv; Wu, Y.-C.; Lee, Sergey; Parikh, Kunjal; Gillespie, Jessica; Ussery, Geoffrey; Karimi, Behzad; Baughman, Ray; Zakhidov, Anvar; Glosser, R

    2003-10-01

    Inverse gold photonic crystals templated from synthetic opals with a face centered cubic (FCC) crystal lattice were constructed by heat converting gold chloride to metallic gold. Tetrahedral formations constructed of alternating large and small octahedrons oriented in the zinc sulfide structure were created by controlling the infiltration of gold chloride. Silica spheres were coated with polyanilinesulfonic acid, polypyrrole, poly[2-methoxy-5-(2'-ethylhexyloxy)-1,4-phenylenevinylene] (MEH-PPV) and 5 nm colloidal gold. Ordinary yeast cells were coated with polyanilinesulfonic acid, polypyrrole and 5 nm colloidal gold. Spheres coated with MEH-PPV were dispersed in H{sub 2}O and coated with polyelectrolytes which recharged and sterically stabilized the colloidal surfaces. The recharged spheres self-assembled by sedimentation with a FCC crystalline lattice possessing 500 {mu}m wide and 1 mm long crystallites. Silica spheres with diameters as large as 1500 {mu}m were self-assembled along the [1 0 0] direction of the FCC crystal lattice. Opals infiltrated with gold and opals constructed from polymer coated spheres were co-infiltrated with polypropylene yielding inverse polypropylene composite photonic crystals.

  12. Simultaneous effect of crystal lattice and non magnetic substitution on magnetic properties of barium hexaferrite

    Science.gov (United States)

    Kumar, Sunil; Supriya, Sweety; Pradhan, Lagen Kumar; Pandey, Rabichandra; Kar, Manoranjan

    2018-05-01

    The aluminium doped barium hexaferrite BaFe12-xAlxO19 with x =0.0, 1.0, 2.0, 4.0 and 6.0 have been synthesized by the sol-gel method to modify the magnetic properties for technological applications. The crystal structure and phase purity of all the samples have been explored by employing the X-ray diffraction (XRD) technique. It confirms that the sample is nanocrystalline, hexagonal symmetry and all the intense peaks could be indexed to the P63/mmc space group. The obtained lattice parameters from the XRD analysis decrease with the increase in Al3+ content in the samples. The microstructural morphology and particle sizes of all samples were studied by using the Field Emission Scanning Electron Microscopy (FESEM-Hitachi-S4800) technique. The magnetic hysteresis (M-H) loops measurement has been carried out at room temperature by employing the vibrating sample magnetometer (VSM) over a field range of +20 kOe to -20 kOe. The magnetic hysteresis (M-H) loops revealed the ferromagnetic (hard magnetic materials) nature of the samples and, analyzed by using the Law of Approach to Saturation.

  13. Obtaining local reciprocal lattice vectors from finite-element analysis.

    Science.gov (United States)

    Sutter, John P; Connolley, Thomas; Hill, Tim P; Huang, Houcheng; Sharp, Doug W; Drakopoulos, Michael

    2008-11-01

    Finite-element analysis is frequently used by engineers at synchrotron beamlines to calculate the elastic deformation of a single crystal undergoing mechanical bending or thermal load. ANSYS Workbench software is widely used for such simulations. However, although ANSYS Workbench software provides useful information on the displacements, strains and stresses within the crystal, it does not yield the local reciprocal lattice vectors that would be required for X-ray diffraction calculations. To bridge this gap, a method based on the shape functions and interpolation procedures of the software itself has been developed. An application to the double-crystal bent Laue monochromator being designed for the I12 (JEEP) wiggler beamline at the Diamond Light Source is presented.

  14. On the observation of a huge lattice contraction and crystal habit modifications in LiMn2O4 prepared by a fuel assisted solution combustion

    International Nuclear Information System (INIS)

    Ragavendran, K.; Sherwood, D.; Vasudevan, D.; Emmanuel, Bosco

    2009-01-01

    Two batches of poly-crystalline lithium manganate were prepared by a fuel assisted solution combustion method. LiMn 2 O 4 (S) was prepared using starch as the fuel and LiMn 2 O 4 (P) was prepared using poly vinyl alcohol (PVA) as the fuel. XRD studies indicated a significant and consistent shift in the 2θ values of all the hkl peaks to higher values in LiMn 2 O 4 (P) compared to LiMn 2 O 4 (S) indicating a lattice contraction in the former. TG/DTA studies indicated a higher formation temperature (∼25 deg. C higher) for LiMn 2 O 4 (P). The higher formation temperature most likely promotes the oxidation of some Mn 3+ to Mn 4+ with a lower ionic radius causing a lattice contraction. This hypothesis is confirmed through XPS studies which indicated the presence of a higher fraction of Mn 4+ in LiMn 2 O 4 (P) than that present in LiMn 2 O 4 (S). A crystal shape algorithm was used to generate the crystal habits of lithium manganate from their XRD data leading to an understanding on the exposed hkl planes in these materials. From the atomic arrangement on the exposed hkl planes it is predicted that LiMn 2 O 4 (P) would be less prone to manganese dissolution and hence would possess a higher cycle life when compared to LiMn 2 O 4 (S).

  15. On the observation of a huge lattice contraction and crystal habit modifications in LiMn 2O 4 prepared by a fuel assisted solution combustion

    Science.gov (United States)

    Ragavendran, K.; Sherwood, D.; Vasudevan, D.; Emmanuel, Bosco

    2009-08-01

    Two batches of poly-crystalline lithium manganate were prepared by a fuel assisted solution combustion method. LiMn 2O 4(S) was prepared using starch as the fuel and LiMn 2O 4(P) was prepared using poly vinyl alcohol (PVA) as the fuel. XRD studies indicated a significant and consistent shift in the 2 θ values of all the hkl peaks to higher values in LiMn 2O 4(P) compared to LiMn 2O 4(S) indicating a lattice contraction in the former. TG/DTA studies indicated a higher formation temperature (∼25 °C higher) for LiMn 2O 4(P). The higher formation temperature most likely promotes the oxidation of some Mn 3+ to Mn 4+ with a lower ionic radius causing a lattice contraction. This hypothesis is confirmed through XPS studies which indicated the presence of a higher fraction of Mn 4+ in LiMn 2O 4(P) than that present in LiMn 2O 4(S). A crystal shape algorithm was used to generate the crystal habits of lithium manganate from their XRD data leading to an understanding on the exposed hkl planes in these materials. From the atomic arrangement on the exposed hkl planes it is predicted that LiMn 2O 4(P) would be less prone to manganese dissolution and hence would possess a higher cycle life when compared to LiMn 2O 4(S).

  16. Performance enhancement in p-channel charge-trapping flash memory devices with Si/Ge super-lattice channel and band-to-band tunneling induced hot-electron injection

    International Nuclear Information System (INIS)

    Liu, Li-Jung; Chang-Liao, Kuei-Shu; Jian, Yi-Chuen; Wang, Tien-Ko; Tsai, Ming-Jinn

    2013-01-01

    P-channel charge-trapping flash memory devices with Si, SiGe, and Si/Ge super-lattice channel are investigated in this work. A Si/Ge super-lattice structure with extremely low roughness and good crystal structure is obtained by precisely controlling the epitaxy thickness of Ge layer. Both programming and erasing (P/E) speeds are significantly improved by employing this Si/Ge super-lattice channel. Moreover, satisfactory retention and excellent endurance characteristics up to 10 6 P/E cycles with 3.8 V memory window show that the degradation on reliability properties is negligible when super-lattice channel is introduced. - Highlights: ► A super-lattice structure is proposed to introduce more Ge content into channel. ► Super-lattice structure possesses low roughness and good crystal structure. ► P-channel flash devices with Si, SiGe, and super-lattice channel are investigated. ► Programming/erasing speeds are significantly improved. ► Reliability properties can be kept for device with super-lattice channel

  17. Measurement of lattice parameters of single crystals and thin layers

    Czech Academy of Sciences Publication Activity Database

    Drahokoupil, Jan; Veřtát, P.; Richterová, Kristina; Laufek, František

    2014-01-01

    Roč. 21, č. 2 (2014), s. 97-97 ISSN 1211-5894. [Struktura 2014 : kolokvium Krystalografické společnosti. 09.06.2014-12.06.2014, Kutná Hora] Institutional support: RVO:68378271 Keywords : XRD * lattice parameters Subject RIV: BM - Solid Matter Physics ; Magnetism http://www. xray .cz/ms/bul2014-2/wednesday1.pdf

  18. Method of producing buried porous silicon-geramanium layers in monocrystalline silicon lattices

    Science.gov (United States)

    Fathauer, Robert W. (Inventor); George, Thomas (Inventor); Jones, Eric W. (Inventor)

    1997-01-01

    Lattices of alternating layers of monocrystalline silicon and porous silicon-germanium have been produced. These single crystal lattices have been fabricated by epitaxial growth of Si and Si--Ge layers followed by patterning into mesa structures. The mesa structures are stain etched resulting in porosification of the Si--Ge layers with a minor amount of porosification of the monocrystalline Si layers. Thicker Si--Ge layers produced in a similar manner emitted visible light at room temperature.

  19. Symmetry of semi-reduced lattices.

    Science.gov (United States)

    Stróż, Kazimierz

    2015-05-01

    derivable via geometric information (Himes & Mighell, 1987; Le Page, 1982). It is illustrated that corresponding arithmetic and geometric holohedries share space distribution of symmetry elements. Moreover, completeness of the s.r.d. types reveals their combinatorial structure and simplifies the crystallographic description of structural phase transitions, especially those observed with the use of powder diffraction. The research proves that there are excellent theoretical and practical reasons for looking at crystal lattice symmetry from an entirely new and surprising point of view - the combinatorial set {\\bb V} of matrices, their semi-reduced lattice context and their geometric properties.

  20. Lamb-Dicke spectroscopy of atoms in a hollow-core photonic crystal fibre

    Science.gov (United States)

    Okaba, Shoichi; Takano, Tetsushi; Benabid, Fetah; Bradley, Tom; Vincetti, Luca; Maizelis, Zakhar; Yampol'skii, Valery; Nori, Franco; Katori, Hidetoshi

    2014-01-01

    Unlike photons, which are conveniently handled by mirrors and optical fibres without loss of coherence, atoms lose their coherence via atom–atom and atom–wall interactions. This decoherence of atoms deteriorates the performance of atomic clocks and magnetometers, and also hinders their miniaturization. Here we report a novel platform for precision spectroscopy. Ultracold strontium atoms inside a kagome-lattice hollow-core photonic crystal fibre are transversely confined by an optical lattice to prevent atoms from interacting with the fibre wall. By confining at most one atom in each lattice site, to avoid atom–atom interactions and Doppler effect, a 7.8-kHz-wide spectrum is observed for the 1S0−3P1(m=0) transition. Atoms singly trapped in a magic lattice in hollow-core photonic crystal fibres improve the optical depth while preserving atomic coherence time. PMID:24934478

  1. A Tunable Eight-Wavelength Terahertz Modulator Based on Photonic Crystals

    Science.gov (United States)

    Ji, K.; Chen, H.; Zhou, W.; Zhuang, Y.; Wang, J.

    2017-11-01

    We propose a tunable eight-wavelength terahertz modulator based on a structure of triple triangular lattice photonic crystals by using photonic crystals in the terahertz regime. The triple triangular lattice was formed by nesting circular, square, and triangular dielectric cylinders. Three square point defects were introduced into the perfect photonic crystal to produce eight defect modes. GaAs was used as the point defects to realize tunability. We used a structure with a reflecting barrier to achieve modulation at high transmission rate. The insertion loss and extinction ratio were 0.122 and 38.54 dB, respectively. The modulation rate was 0.788 dB. The performance of the eightwavelength terahertz modulator showed great potential for use in future terahertz communication systems.

  2. Analysis of crystallite size and microdeformation crystal lattice the tungsten carbide milling in mill high energy; Analise do tamanho do cristalito e microdeformacao da rede cristalina do carbeto de tugstenio moidos em moinho de alta energia

    Energy Technology Data Exchange (ETDEWEB)

    Silva, F.T. da; Nunes, M.A.M. [Universidade Federal do Rio Grande do Norte (PPGCEM/UFRN), Natal (Brazil). Programa de Pos-Graduacao em Ciencia e Engenharia de Materiais; Oliveira, R.M.V. de; Silva, G.G. da [Instituto Federal do Rio Grande do Norte (IFRN), Natal (Brazil); Souza, C.P. de; Gomes, U.U. [Universidade Federal do Rio Grande do Norte (UFRN), Natal (Brazil)

    2010-07-01

    The tungsten carbide (WC) has wide application due to its properties like high melting point, high hardness, wear resistance, oxidation resistance and good electrical conductivity. The microstructural characteristics of the starting powders influences the final properties of the carbide. In this context, the use of nanoparticle powders is an efficient way to improve the final properties of the WC. The high energy milling stands out from other processes to obtain nanometric powders due to constant microstructural changes caused by this process. Therefore, the objective is to undertake an analysis of microstructural characteristics on the crystallite size and microdeformations of the crystal lattice using the technique of X-ray diffraction (XRD) using the Rietveld refinement. The results show an efficiency of the milling process to reduce the crystallite size, leading to a significant deformation in the crystal lattice of WC from 5h milling. (author)

  3. Epitaxial Ge-crystal arrays for X-ray detection

    International Nuclear Information System (INIS)

    Kreiliger, T; Falub, C V; Müller, E; Känel, H von; Isa, F; Isella, G; Chrastina, D; Bergamaschini, R; Marzegalli, A; Miglio, L; Kaufmann, R; Niedermann, P; Neels, A; Dommann, A; Meduňa, M

    2014-01-01

    Monolithic integration of an X-ray absorber layer on a Si CMOS chip might be a potentially attractive way to improve detector performance at acceptable costs. In practice this requires, however, the epitaxial growth of highly mismatched layers on a Si-substrate, both in terms of lattice parameters and thermal expansion coefficients. The generation of extended crystal defects, wafer bowing and layer cracking have so far made it impossible to put the simple concept into practice. Here we present a way in which the difficulties of fabricating very thick, defect-free epitaxial layers may be overcome. It consists of an array of densely packed, three-dimensional Ge-crystals on a patterned Si(001) substrate. The finite gap between neighboring micron-sized crystals prevents layer cracking and substrate bowing, while extended defects are driven to the crystal sidewalls. We show that the Ge-crystals are indeed defect-free, despite the lattice misfit of 4.2%. The electrical characteristics of individual Ge/Si heterojunction diodes are obtained from in-situ measurements inside a scanning electron microscope. The fabrication of monolithically integrated detectors is shown to be compatible with Si-CMOS processing

  4. In Situ Observation of Antisite Defect Formation during Crystal Growth

    International Nuclear Information System (INIS)

    Kramer, M. J.; Napolitano, R. E.; Mendelev, M. I.

    2010-01-01

    In situ x-ray diffraction (XRD) coupled with molecular dynamics (MD) simulations have been used to quantify antisite defect trapping during crystallization. Rietveld refinement of the XRD data revealed a marked lattice distortion which involves an a axis expansion and a c axis contraction of the stable C11b phase. The observed lattice response is proportional in magnitude to the growth rate, suggesting that the behavior is associated with the kinetic trapping of lattice defects. MD simulations demonstrate that this lattice response is due to incorporation of 1% to 2% antisite defects during growth.

  5. Lattice effects in the light actinides

    International Nuclear Information System (INIS)

    Lawson, A.C.; Cort, B.; Roberts, J.A.; Bennett, B.I.; Brun, T.O.; Dreele, R.B. von; Richardson, J.W. Jr.

    1998-01-01

    The light actinides show a variety of lattice effects that do not normally appear in other regions of the periodic table. The article will cover the crystal structures of the light actinides, their atomic volumes, their thermal expansion behavior, and their elastic behavior as reflected in recent thermal vibration measurements made by neutron diffraction. A discussion of the melting points will be given in terms of the thermal vibration measurements. Pressure effects will be only briefly indicated

  6. Structures and Dynamics of Two-Dimensional Dust Lattices with and without Coulomb Molecules in Plasmas

    International Nuclear Information System (INIS)

    Huang Feng; Wang Xue-Jin; Liu Yan-Hong; Ye Mao-Fu; Wang Long

    2010-01-01

    Structures and dynamics of two-dimensional dust lattices with and without Coulomb molecules in plasmas are investigated. The experimental results show that the lattices have the crystal-like hexagonal structures, i.e. most particles have six nearest-neighboring particles. However, the lattice points can be occupied by the individual particles or by a pair of particles called Coulomb molecules. The pair correlation function is used to compare the structures between the lattices with or without the Coulomb molecules. In the experiments, the Coulomb molecules can also decompose and recombine with another individual particle to form a new molecule. (physics of gases, plasmas, and electric discharges)

  7. Coherent lattice vibrations in superconductors

    International Nuclear Information System (INIS)

    Kadin, Alan M.

    2008-01-01

    A recent analysis has shown that the pair wavefunction within the BCS theory may be represented in real-space as a spherical electronic orbital (on the scale of the coherence length ξ 0 ) coupled to a standing-wave lattice vibration with wavevector 2k F and a near-resonant phonon frequency. The present paper extends this picture to a coherent pattern of phonon standing-waves on the macroscopic scale, with electrons forming Bloch waves and an energy gap much like those in the classic band theory of crystals. These parallel planes form a diffractive waveguide permitting electron waves to traveling parallel to the planes, corresponding to lossless supercurrent. A similar picture may be extended to unconventional superconductors such as the cuprates, with an array of standing spin waves rather than phonons. Such coherent lattice vibrations should be universal indicators of the superconducting state, and should be observable below T c using X-ray and neutron diffraction techniques. Further implications of this picture are discussed

  8. Certain methods for improving the accuracy of lattice parameter determination in sloping scanning with the use of single-crystal spectrometer

    International Nuclear Information System (INIS)

    Pinegin, V.I.; Koz'ma, A.A.; Fuks, M.Ya.

    1985-01-01

    Errors are accounted for the sloping scanning that is a base of X-ray tenzometry and requires high accuracy of lattice parameter determination including a limp state parameter. A technique is suggested for elimination of systematic alignment errors due to deviation of the primary beam and eccentricity of an irradiated sample surface relative to the main axis of a goniometer. The technique allows to decrease a relative error in interplanar distance determination from 10 -4 to 10 -5 using the DRON-20 diffractometer. Analytical expressions are obtained for correction calculations. The technique can be used in sloping scanning of imperfect single- and polycrystals. Experimental test of the technique has been carried out with epitaxy single-crystal nickel films 500 to 2000 A thick with the use of copper radiation

  9. Structure of single-chain single crystals of isotactic polystyrene and their radiation resistance

    International Nuclear Information System (INIS)

    Bu Haishan; Cao Jie; Xu Shengyong; Zhang Ze

    1997-01-01

    The structure of the single-chain single crystals of isotactic polystyrene (i-PS) was investigated by electron diffraction (ED) and high resolution electron microscopy (HREM). The nano-scale single-chain single crystals were found to be very stable to electron irradiation. According to the unit cell of i-PS crystals, the reflection rings in ED pattern and the lattice fringes in HREM images could be indexed, but the lower-index diffractions were not found. It is proposed that the single-chain single crystals are very small, thus secondary electrons may be allowed to escape and radiation damage is highly reduced, and that there are less lower-index lattice planes in the single-chain single crystals to provide sufficient diffraction intensity for recording. HREM images can be achieved at room temperature in the case of single-chain single crystals because of its stability to electron irradiation, therefore, this might be a novel experimental approach to the study of crystal structure of macromolecules

  10. Physics of radiation effects in crystals

    CERN Document Server

    Johnson, RA

    1986-01-01

    ``Physics of Radiation Effects in Crystals'' is presented in two parts. The first part covers the general background and theory of radiation effects in crystals, including the theory describing the generation of crystal lattice defects by radiation, the kinetic approach to the study of the disposition of these defects and the effects of the diffusion of these defects on alloy compositions and phases. Specific problems of current interest are treated in the second part and include anisotropic dimensional changes in x-uranium, zirconium and graphite, acceleration of thermal creep in reactor ma

  11. Lattice thermal conductivity of YBa2Cu3O7-δ

    International Nuclear Information System (INIS)

    Cohn, J.L.; Wolf, S.A.; Vanderah, T.A.; Selvamanickam, V.; Salama, K.

    1992-01-01

    We report a systematic study of the ab-plane thermal conductivity (K) on single crystal and liquid-phase processed (LPP) specimens of YBa 2 Cu 3 O 7-δ (δ≤0.16) in the temperature range 10 K ≤ T ≤ 300 K. From measurements of electrical conductivity on the same specimens and application of the Wiedemann-Franz law we estimate the relative contributions to the heat conduction from the carriers and the lattice. The normal-state phonon scattering mechanisms are quantified by calculations which employ the conventional theory of lattice heat conduction by longitudinal acoustic phonons. Differences in the magnitude and temperature dependence of K for the LPP and crystal specimens are accounted for by differences in the relative weight of phonon-defect, phonon-carrier, and phonon-phonon scattering. For all specimens phonon-defect scattering predominates throughout most of the temperature range. (orig.)

  12. Lattice damage assessment and optical waveguide properties in LaAlO3 single crystal irradiated with swift Si ions

    International Nuclear Information System (INIS)

    Liu, Y; Wang, T J; Liu, P; Wang, X L; Crespillo, M L; Huang, Q

    2017-01-01

    As one of the representative ABO 3 perovskite-structured oxides, lanthanum aluminate (LaAlO 3 ) crystal has emerged as one of the most valuable functional-materials, and has attracted plenty of fundamental research and promising applications in recent years. Electronic, magnetic, optical and other properties of LaAlO 3 strongly depend on its crystal structure, which could be strongly modified owing to the nuclear or electronic energy loss deposited in an ion irradiation environment and, therefore, significantly affecting the performance of LaAlO 3 -based devices. In this work, utilizing swift (tens of MeV) Si-ion irradiation, the damage behavior of LaAlO 3 crystal induced by nuclear or electronic energy loss has been studied in detail utilizing complementary characterization techniques. Differing from other perovskite-structured crystals in which the electronic energy loss could lead to the formation of an amorphous region based on the thermal spike mechanism, in this case, intense electronic energy loss in LaAlO 3 will not induce any obvious structural damage. The effects of ion irradiation on the mechanical properties, including hardness increase and elastic modulus decrease, have been confirmed. On the other hand, considering the potential applications of LaAlO 3 in the field of integrated optoelectronics, the optical-waveguide properties of the irradiation region have been studied. The significant correspondence (symmetrical inversion) between the iWKB-reconstructed refractive-index profile and SRIM-simulated dpa profile further proves the effects (irradiation-damage production and refractive-index decrease) of nuclear energy loss during the swift-ion penetration process in LaAlO 3 crystal. In the case of the rather-thick damage layer produced by swift-ion irradiation, obtaining a damage profile will be constrained owing to the analysis-depth limitation of the characterization techniques (RBS/channeling), and our analysis process (optical guided

  13. Lattice location of impurities in silicon Carbide

    CERN Document Server

    AUTHOR|(CDS)2085259; Correia Martins, João Guilherme

    The presence and behaviour of transition metals (TMs) in SiC has been a concern since the start of producing device-grade wafers of this wide band gap semiconductor. They are unintentionally introduced during silicon carbide (SiC) production, crystal growth and device manufacturing, which makes them difficult contaminants to avoid. Once in SiC they easily form deep levels, either when in the isolated form or when forming complexes with other defects. On the other hand, using intentional TM doping, it is possible to change the electrical, optical and magnetic properties of SiC. TMs such as chromium, manganese or iron have been considered as possible candidates for magnetic dopants in SiC, if located on silicon lattice sites. All these issues can be explored by investigating the lattice site of implanted TMs. This thesis addresses the lattice location and thermal stability of the implanted TM radioactive probes 56Mn, 59Fe, 65Ni and 111Ag in both cubic 3C- and hexagonal 6H SiC polytypes by means of emission cha...

  14. The effect of correlated and point defects on the vortex lattice melting transition in single-crystal YBa2Cu3O7-δ

    International Nuclear Information System (INIS)

    Kwok, W.K.; Fendrich, J.; Fleshler, S.; Welp, U.; Downey, J.; Crabtree, G.W.; Giapintzakis, J.

    1994-01-01

    The vortex melting transition T m in several untwinned and twinned crystals is measured resistively in fields up to 8T. A Lindemann criterion for vortex lattice melting is obtained in addition to a sharp hysteresis in the magnetoresistance at B m supporting a first-order phase transition. The anisotropy of twin boundary pinning and its reduction of the 'kink' in ρ(T) associated with the first-order melting transition is discussed in samples with very dilute twin boundaries. We also report on the direct suppression of the the melting transition by intrinsic pinning for H parallel ab and by electron-irradiation-induced point defects. (orig.)

  15. Lattice site location of electrical dopant impurities in group-III nitrides

    CERN Document Server

    Amorim, Lígia; Temst, Kristiaan; Wahl, Ulrich

    Dopants are impurities introduced in semiconductors in small quantities to tailor the material characteristics, the effects of which depend on the exact site the dopant occupies in the crystal lattice. The lattice location of impurities is, thus, crucial for the overall understanding of the semiconductor characteristics. In general, several techniques can be used to investigate the lattice site of an impurity, the most accurate and dedicated being emission channeling. However, a characteristic of this technique is that it requires the implantation of radioactive probes, usually created and accelerated in a radioactive ion beam facility. In some cases, emission channeling might however be the only technique capable to investigate the lattice sites occupied by the impurity atoms, provided an appropriate isotope for this technique can be used. For instance, the use of other methods such as Rutherford backscattering spectrometry, perturbed angular correlations, Mössbauer spectroscopy and extended X-ray absorptio...

  16. Freeform Fabrication of Magnetophotonic Crystals with Diamond Lattices of Oxide and Metallic Glasses for Terahertz Wave Control by Micro Patterning Stereolithography and Low Temperature Sintering

    Directory of Open Access Journals (Sweden)

    Maasa Nakano

    2013-04-01

    Full Text Available Micrometer order magnetophotonic crystals with periodic arranged metallic glass and oxide glass composite materials were fabricated by stereolithographic method to reflect electromagnetic waves in terahertz frequency ranges through Bragg diffraction. In the fabrication process, the photo sensitive acrylic resin paste mixed with micrometer sized metallic glass of Fe72B14.4Si9.6Nb4 and oxide glass of B2O3·Bi2O3 particles was spread on a metal substrate, and cross sectional images of ultra violet ray were exposed. Through the layer by layer stacking, micro lattice structures with a diamond type periodic arrangement were successfully formed. The composite structures could be obtained through the dewaxing and sintering process with the lower temperature under the transition point of metallic glass. Transmission spectra of the terahertz waves through the magnetophotonic crystals were measured by using a terahertz time domain spectroscopy.

  17. Two dimentional lattice vibrations from direct product representations of symmetry groups

    Directory of Open Access Journals (Sweden)

    J. N. Boyd

    1983-01-01

    two dimensional crystals. First, the Born cyclic condition is applied to a double chain composed of coupled linear lattices to obtain a cylindrical arrangement. Then the quadratic Lagrangian function for the system is written in matrix notation. The Lagrangian is diagonalized to yield the natural frequencies of the system. The transformation to achieve the diagonalization was obtained from group theorectic considerations. Next, the techniques developed for the double chain are applied to a square lattice. The square lattice is transformed into the toroidal Ising model. The direct product nature of the symmetry group of the torus reveals the transformation to diagonalize the Lagrangian for the Ising model, and the natural frequencies for the principal directions in the model are obtained in closed form.

  18. Spin-lattice relaxation in phosphorescent triplet state molecules

    International Nuclear Information System (INIS)

    Verbeek, P.J.F.

    1979-01-01

    The present thesis contains the results of a study of spin-lattice relaxation (SLR) in the photo-excited triplet state of aromatic molecules, dissolved in a molecular host crystal. It appears that SLR in phosphorescent triplet state molecules often is related to the presence of so-called (pseudo) localized phonons in the molecular mixed crystals. These local phonons can be thought to correspond with vibrations (librations) of the guest molecule in the force field of the surrounding host molecules. Since the intermolecular forces are relatively weak, the frequencies corresponding with these vibrations are relatively low and usually are of the order of 10-30 cm -1 . (Auth.)

  19. On electromagnetic radiation of ultrarelativistic electrons in crystals

    International Nuclear Information System (INIS)

    Podgoretskij, M.I.

    1977-01-01

    Electromagnetic radiation is considered caused by ultrarelativistic channeling electrons moving inside cylindrical regions formed with nuclear heat oscillations of a crystal lattice. An energy asymmetry is predicted for electrons and positrons, generated by γ-quanta falling to a crystal along the crystallographic axes. A possible connection of the above mentioned radiation with the anomalous multiphoton Schein showers is discussed

  20. Shrink, twist, ripple and melt: Studies of frustrated liquid crystals

    Science.gov (United States)

    Fernsler, Jonathan G.

    Complex structures can arise out of a simple system with more than one competing influence on its behavior. The protypical example of this is the two-dimensional triangular lattice Ising model. The ferromagnetic model has two simple degenerate ground states of all spins up or down, but the antiferromagnetic model is a frustrated system. Its geometry does not allow satisfaction of the antiferro condition everywhere, which produces complex ordered structures with dimerization of the spins [1]. Without frustration, the complex structures and phase behavior are lost. All of the topics discussed in this thesis concern smectic liquid crystals. Liquid crystals are perhaps uniquely adept at manifesting frustrated phases. Their combination of periodicity in one or more dimensions allows ordered structures, yet their fluid nature in remaining dimensions allows creation of defects and extraordinarily complex structures in ways that a normal crystal could not tolerate. Liquid crystals contain a huge menagerie of frustrated phases and effects including the polarization modulated [2], vortex lattice [3], twist grain boundary [4], and blue [5] phases, as well as frustrated structures such as cholesteric or SmC* helix unwinding [6], defect lattices in thin films [7], and bend melted grain boundary defects [8], arising from boundary conditions and field effects. In this thesis, we study four liquid crystal systems that show unusual phase behavior or complex structures, deriving from the effects of frustration. Frustration, despite some human prejudices against the word, leaves nature all the more interesting and beautiful.

  1. Signatures of lattice geometry in quantum and topological Hall effect

    International Nuclear Information System (INIS)

    Göbel, Börge; Mook, Alexander; Mertig, Ingrid; Henk, Jürgen

    2017-01-01

    The topological Hall effect (THE) of electrons in skyrmion crystals (SkXs) is strongly related to the quantum Hall effect (QHE) on lattices. This relation suggests to revisit the QHE because its Hall conductivity can be unconventionally quantized. It exhibits a jump and changes sign abruptly if the Fermi level crosses a van Hove singularity. In this Paper, we investigate the unconventional QHE features by discussing band structures, Hall conductivities, and topological edge states for square and triangular lattices; their origin are Chern numbers of bands in the SkX (THE) or of the corresponding Landau levels (QHE). Striking features in the energy dependence of the Hall conductivities are traced back to the band structure without magnetic field whose properties are dictated by the lattice geometry. Based on these findings, we derive an approximation that allows us to determine the energy dependence of the topological Hall conductivity on any two-dimensional lattice. The validity of this approximation is proven for the honeycomb lattice. We conclude that SkXs lend themselves for experiments to validate our findings for the THE and—indirectly—the QHE. (paper)

  2. Characterization of lattice damage in ion implanted silicon: a Monte Carlo simulation combined with double crystal X-ray diffraction

    International Nuclear Information System (INIS)

    Cembali, F.; Mazzone, A.M.; Servidori, M.; Gabilli, E.; Lotti, R.

    1985-01-01

    Double crystal X-ray diffractometry is applied to the characterization of damage in silicon samples, irradiated with 60 keV self-ions for doses ranging from 5 x 10 12 cm -2 to the threshold for amorphisation. The samples were also electron beam annealed in such a condition as to give rise to a temperature of 800 0 C. The in-depth strain and atomic disorder distributions, due to the implantation defects, were determined for the specimens before and after high temperature annealing. This was possible by application of the dynamical theory of X-ray diffraction from imperfect crystals and by taking into account the diffuse (thermal, Compton) scattering accompanying Bragg diffraction intensity measurements. Transmission electron microscopy observations, in conventional (planar) and cross-section mode, were also performed. The results of these analyses were compared with a complex simulation method, designed to account for the physical origin of the disorder. The method consists of a Monte Carlo simulation of the damage growth during implantation and of the defect annealing and clustering in a warm lattice. The evolution of disorder is examined either in the phase of spontaneous annealing subsequent to the implantation or during the externally induced annealing. Theory and experiments led to a close characterization of damage in terms of cluster size, type and concentration, both before and after annealing. (author)

  3. Large three-dimensional photonic crystals based on monocrystalline liquid crystal blue phases.

    Science.gov (United States)

    Chen, Chun-Wei; Hou, Chien-Tsung; Li, Cheng-Chang; Jau, Hung-Chang; Wang, Chun-Ta; Hong, Ching-Lang; Guo, Duan-Yi; Wang, Cheng-Yu; Chiang, Sheng-Ping; Bunning, Timothy J; Khoo, Iam-Choon; Lin, Tsung-Hsien

    2017-09-28

    Although there have been intense efforts to fabricate large three-dimensional photonic crystals in order to realize their full potential, the technologies developed so far are still beset with various material processing and cost issues. Conventional top-down fabrications are costly and time-consuming, whereas natural self-assembly and bottom-up fabrications often result in high defect density and limited dimensions. Here we report the fabrication of extraordinarily large monocrystalline photonic crystals by controlling the self-assembly processes which occur in unique phases of liquid crystals that exhibit three-dimensional photonic-crystalline properties called liquid-crystal blue phases. In particular, we have developed a gradient-temperature technique that enables three-dimensional photonic crystals to grow to lateral dimensions of ~1 cm (~30,000 of unit cells) and thickness of ~100 μm (~ 300 unit cells). These giant single crystals exhibit extraordinarily sharp photonic bandgaps with high reflectivity, long-range periodicity in all dimensions and well-defined lattice orientation.Conventional fabrication approaches for large-size three-dimensional photonic crystals are problematic. By properly controlling the self-assembly processes, the authors report the fabrication of monocrystalline blue phase liquid crystals that exhibit three-dimensional photonic-crystalline properties.

  4. Vacancies in quantal Wigner crystals near melting

    International Nuclear Information System (INIS)

    Barraza, N.; Colletti, L.; Tosi, M.P.

    1999-04-01

    We estimate the formation energy of lattice vacancies in quantal Wigner crystals of charged particles near their melting point at zero temperature, in terms of the crystalline Lindemann parameter and of the static dielectric function of the fluid phase near freezing. For both 3D and 2D crystals of electrons our results suggest the presence of vacancies in the ground state at the melting density. (author)

  5. Measurements of spin-lattice relaxation time in mixed alkali halide crystals

    International Nuclear Information System (INIS)

    Tannus, A.

    1983-01-01

    Using magneto-optic techniques the ground state spin-lattice relaxation times (T1) of 'F' centers in mixed Alkali Halide cristals (KCl-KBr), was studied. A computer assisted system to optically measure short relaxation times (approx. = 1mS), was described. The technique is based on the measurement of the Magnetic Circular Dicroism (MCD) presented by F centers. The T1 magnetic field dependency at 2 K (up to 65 KGauss), was obtained as well as the MCD spectra for different relative concentration at the mixed matrices. The theory developed by Panepucci and Mollenauer for F centers spin-lattice relaxation in pure matrices was modified to explain the behaviour of T1 in mixed cristals. The Direct Process results (T approx. = 2.0 K) compared against that theory shows that the main relaxation mecanism, up to 25 KGauss, continues to be phonon modulation of the hiperfine iteraction between F electrons and surrounding nuclei. (Author) [pt

  6. The role of crystal orientation and surface proximity in the self-similar behavior of deformed Cu single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Pang, Judy W.L., E-mail: pangj@ornl.gov [Materials Science and Technology Division, Oak Ridge National Laboratory, 1 Behtel Valley Road, Oak Ridge, TN 37831 (United States); Ice, Gene E. [Materials Science and Technology Division, Oak Ridge National Laboratory, 1 Behtel Valley Road, Oak Ridge, TN 37831 (United States); Liu Wenjun [Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439 (United States)

    2010-11-25

    We report on novel 3D spatially resolved X-ray diffraction microscopy studies of self-affine behavior in deformed single crystals. This study extends surface profile measurements of self-affined morphology changes in single crystals during deformation to include local lattice rotations and sub-surface behavior. Investigations were made on the spatial correlation of the local lattice rotations in 8% tensile deformed Cu single crystals oriented with [1 2 3], [1 1 1] and [0 0 1] axes parallel to the tensile axis. The nondestructive depth-resolved measurements were made over a length scale of one to hundreds of micrometers. Self-affined correlation was found both at the surface and below the surface of the samples. A universal exponent for the power-law similar to that observed with surface profile methods is found at the surface of all samples but crystallographically sensitive changes are observed as a function of depth. Correlation lengths of the self-affine behavior vary with the [1 2 3] crystal exhibiting the longest self-affine length scale of 70 {mu}m with only 18 {mu}m for the [1 1 1] and [0 0 1] crystals. These measurements illuminate the transition from surface-like to bulk-like deformation behavior and provide new quantitative information to guide emerging models of self-organized structures in plasticity.

  7. Crystal structure determination of Efavirenz

    International Nuclear Information System (INIS)

    Popeneciu, Horea; Dumitru, Ristoiu; Tripon, Carmen; Borodi, Gheorghe; Pop, Mihaela Maria

    2015-01-01

    Needle-shaped single crystals of the title compound, C 14 H 9 ClF 3 NO 2 , were obtained from a co-crystallization experiment of Efavirenz with maleic acid in a (1:1) ratio, using methanol as solvent. Crystal structure determination at room temperature revealed a significant anisotropy of the lattice expansion compared to the previously reported low-temperature structure. In both low- and room temperature structures the cyclopropylethynyl fragment in one of the asymmetric unit molecules is disordered. While at low-temperature only one C atom exhibits positional disorder, at room temperature the disorder is present for two C atoms of the cyclopropane ring

  8. The effect of nanoscratching direction on the plastic deformation and surface morphology of InP crystals

    Energy Technology Data Exchange (ETDEWEB)

    Huang, J. Y.; Ponce, F. A. [Department of Physics, Arizona State University, Tempe, Arizona 85287-1504 (United States); Caldas, P. G.; Prioli, R. [Departamento de Física, Pontificia Universidade Católica do Rio de Janeiro, Marques de São Vicente 225, Rio de Janeiro, 22453-900 Rio de Janeiro (Brazil); Almeida, C. M. [Divisão de Metrologia de Materiais, Instituto Nacional de Metrologia, Qualidade e Technología (INMETRO), Duque de Caxias, Rio de Janeiro 25250-020 (Brazil)

    2013-11-28

    The microstructure of (001) InP crystals scratched with a sharp diamond tip depends strongly on the scratching direction. The scratch surface is found to conform to the radius of curvature of the tip (∼60 nm) by the formation of atomic crystal steps produced by dislocation glide along (111) planes. 〈110〉 scratches lead to coherent local crystal lattice movement and rotation causing deep dislocation propagation into the crystal and irregular pileups at the sides of the scratch surface. 〈100〉 scratches lead to incoherent lattice movement causing dislocation locking that inhibits their propagation and results in regular pileups.

  9. Manifestation of Crystal Lattice Distortions in the IR Reflection Spectra of Abrasion-Treated ZnSe Ceramics

    Science.gov (United States)

    Sitnikova, V. E.; Dunaev, A. A.; Mamalimov, R. I.; Pakhomov, P. M.; Khizhnyak, S. D.; Chmel, A. E.

    2017-07-01

    The Fourier IR reflection spectra of ZnSe ceramics prepared by hot pressing (HP), physical vapor deposition (PVD), and PVD combined with hot isostatic pressing (HIP) are presented. The optical constants of polished and dry-ground specimens were used for comparison. The grinding treatment simulated the erosion of the outer surface of optical elements made of zinc selenide under the influence of solid dust particles and deposits. In the polished specimens residual stresses showed up in the IR reflection spectra of the ZnSePVD and ZnSeHIP ceramics, which had well-defined orientation of grains, but were not present in the spectra of the ZnSeHIP ceramics as a result of mutual compensation of the stresses in the randomly oriented grains of the material. The stresses, which appeared as a shift of the absorption bands calculated by the Kramers-Kronig method, increased significantly after abrasive treatment of the specimens. For all the treated ceramics the intensity of the absorption bands resulting from the anharmonicity of the vibrations in the distorted crystal lattice increased by several times. The last effect also depends on the production prehistory of the ceramics.

  10. High-temperature Raman study of L-alanine, L-threonine and taurine crystals related to thermal decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Cavaignac, A.L.O. [Centro de Ciências Sociais, Saúde e Tecnologia, Universidade Federal do Maranhão, Imperatriz, MA 65900-410 (Brazil); Lima, R.J.C., E-mail: ricardo.lima.ufma@gmail.com [Centro de Ciências Sociais, Saúde e Tecnologia, Universidade Federal do Maranhão, Imperatriz, MA 65900-410 (Brazil); Façanha Filho, P.F. [Centro de Ciências Sociais, Saúde e Tecnologia, Universidade Federal do Maranhão, Imperatriz, MA 65900-410 (Brazil); Moreno, A.J.D. [Coordenação de Ciências Naturais, Universidade Federal do Maranhão, Bacabal, MA 65700-000 (Brazil); Freire, P.T.C. [Departamento de Física, Universidade Federal do Ceará, Fortaleza, CE 60455-760 (Brazil)

    2016-03-01

    In this work high-temperature Raman spectra are used to compare temperature dependence of the lattice mode wavenumber of L-alanine, L-threonine and taurine crystals. Anharmonic effects observed are associated with intermolecular N-H· · ·O hydrogen bond that plays an important role in thermal decomposition process of these materials. Short and strong hydrogen bonds in L-alanine crystal were associated with anharmonic effects in lattice modes leading to low thermal stability compared to taurine crystals. Connection between thermal decomposition process and anharmonic effects is furnished for the first time.

  11. High-temperature Raman study of L-alanine, L-threonine and taurine crystals related to thermal decomposition

    International Nuclear Information System (INIS)

    Cavaignac, A.L.O.; Lima, R.J.C.; Façanha Filho, P.F.; Moreno, A.J.D.; Freire, P.T.C.

    2016-01-01

    In this work high-temperature Raman spectra are used to compare temperature dependence of the lattice mode wavenumber of L-alanine, L-threonine and taurine crystals. Anharmonic effects observed are associated with intermolecular N-H· · ·O hydrogen bond that plays an important role in thermal decomposition process of these materials. Short and strong hydrogen bonds in L-alanine crystal were associated with anharmonic effects in lattice modes leading to low thermal stability compared to taurine crystals. Connection between thermal decomposition process and anharmonic effects is furnished for the first time.

  12. Numerical simulation of distorted crystal Darwin width

    International Nuclear Information System (INIS)

    Wang Li; Xu Zhongmin; Wang Naxiu

    2012-01-01

    A new numerical simulation method according to distorted crystal optical theory was used to predict the direct-cooling crystal monochromator optical properties(crystal Darwin width) in this study. The finite element analysis software was used to calculate the deformed displacements of DCM crystal and to get the local reciprocal lattice vector of distorted crystal. The broadening of direct-cooling crystal Darwin width in meridional direction was estimated at 4.12 μrad. The result agrees well with the experimental data of 5 μrad, while it was 3.89 μrad by traditional calculation method of root mean square (RMS) of the slope error in the center line of footprint. The new method provides important theoretical support for designing and processing of monochromator crystal for synchrotron radiation beamline. (authors)

  13. Tunable Channel Drop Filter in a Two-Dimensional Photonic Crystal Modulated by a Nematic Liquid Crystal

    Directory of Open Access Journals (Sweden)

    2006-01-01

    Full Text Available Photonic crystals (PCs have many potential applications because of their ability to control light-wave propagation and because PC-based waveguides may be integrated into optical circuits. We propose a novel tunable PC channel drop filter based on nematic liquid crystals and investigate its properties numerically by using the finite-difference time-domain (FDTD method. The refractive indices of liquid crystals can be actively modulated after infiltrating nematic liquid crystals into the microcavity in PC waveguides with square lattices. Then we can control light propagation in a PC waveguide. We analyze the Q -factors and resonance frequencies of a tunable PC channel drop filter by considering various indices modulation of liquid crystals. The novel component can be used as wavelength division multiplexing in photonic integrated circuits.

  14. Lattice dynamics of α-cerium

    International Nuclear Information System (INIS)

    Smith, G.S.

    1985-01-01

    The lattice dynamics of the fcc α-phase of cerium metal was investigated using inelastic neutron scattering techniques. This phase of cerium is an example of a mixed-valent system. Various physical properties of α-Ce suggest that there may be coupling between the phonons and the f d transitions associated with the mixed valence phenomenon. These measurements of the dispersion curves provide important information about the electron-phonon interaction in this phase of cerium. These studies were not performed in the past because single crystals of α-Ce were not available. We were able to prepare a single α-Ce crystal using a high temperature, high pressure technique. The sample was of sufficient size for inelastic neutron scattering experiments, but the measurements were complicated because of the large mosaic spread (approx.7.0 0 ) of the crystal. It was possible, however, to obtain a set of dispersion curves along the [00zeta], [zeta,zeta,0], and [zeta,zeta,zeta] symmetry directions. Comparison of the dispersion curves with those of fcc γ-Ce indicate that the branches exhibit anomalous features that may be related to the mixed-valence effects

  15. Molecular dynamics simulation of thin film interfacial strength dependency on lattice mismatch

    International Nuclear Information System (INIS)

    Yang, Zhou; Lian, Jie; Wang, Junlan

    2013-01-01

    Laser-induced thin film spallation experiments have been previously developed to characterize the intrinsic interfacial strength of thin films. In order to gain insights of atomic level thin film debonding processes and the interfacial strength dependence on film/substrate lattice structures, in this study, molecular dynamics simulations of thin film interfacial failure under laser-induced stress waves were performed. Various loading amplitudes and pulse durations were employed to identify the optimum simulation condition. Stress propagation as a function of time was revealed in conjunction with the interface structures. Parametric studies confirmed that while the interfacial strength between a thin film and a substrate does not depend on the film thickness and the duration of the laser pulse, a thicker film and a shorter duration do provide advantage to effectively load the interface to failure. With the optimized simulation condition, further studies were focused on bulk Au/Au bi-crystals with mismatched orientations, and Ni/Al, Cu/Al, Cu/Ag and Cu/Au bi-crystals with mismatched lattices. The interfacial strength was found to decrease with increasing orientation mismatch and lattice mismatch but more significantly dominated by the bonding elements' atomic structure and valence electron occupancy. - Highlights: • Molecular dynamics simulation was done on stress wave induced thin film spallation. • Atomic structure was found to be a primary strength determining factor. • Lattice mismatch was found to be a secondary strength determining factor

  16. Elucidations on the reciprocal lattice and the Ewald sphere

    International Nuclear Information System (INIS)

    Foadi, J; Evans, G

    2008-01-01

    The reciprocal lattice is derived through the Fourier transform of a generic crystal lattice, as done previously in the literature. A few key derivations are this time handled in detail, and the connection with x-ray diffraction is clearly pointed out. The Ewald sphere is subsequently thoroughly explained and a few comments on its representation in a mixed real-reciprocal space are made. In particular, it appears that the majority of textbooks or papers on the subject are limited in their way of picturing it. This paper will be useful to solid state and/or crystallography teachers. It is also suitable for graduate students researching these subjects and for talented undergraduate students

  17. Thermodynamics of Crystals

    Science.gov (United States)

    Navrotsky, Alexandra

    Thermodynamics of Crystals is a gold mine of a references bargain with more derivations of useful equations per dollar, or per page, than almost any other book I know. Useful to whom? To the solid state physicist, the solid state chemist working the geophysicist, the rock mechanic, the mineral physicist. Useful for what? For lattice dynamics, crystal potentials, band structure. For elegant, rigorous, and concise derivations of fundamental equations. For comparison of levels of approximation. For some data and physical insights, especially for metals and simple halides. This book is a reissue, with some changes and additions, of a 1970 treatise. It ages well, since the fundamentals do not change.

  18. On Traveling Waves in Lattices: The Case of Riccati Lattices

    Science.gov (United States)

    Dimitrova, Zlatinka

    2012-09-01

    The method of simplest equation is applied for analysis of a class of lattices described by differential-difference equations that admit traveling-wave solutions constructed on the basis of the solution of the Riccati equation. We denote such lattices as Riccati lattices. We search for Riccati lattices within two classes of lattices: generalized Lotka-Volterra lattices and generalized Holling lattices. We show that from the class of generalized Lotka-Volterra lattices only the Wadati lattice belongs to the class of Riccati lattices. Opposite to this many lattices from the Holling class are Riccati lattices. We construct exact traveling wave solutions on the basis of the solution of Riccati equation for three members of the class of generalized Holling lattices.

  19. Square-lattice magnetism of diaboleite Pb2Cu(OH)4Cl2

    Science.gov (United States)

    Tsirlin, Alexander A.; Janson, Oleg; Lebernegg, Stefan; Rosner, Helge

    2013-02-01

    We report on the quasi-two-dimensional magnetism of the natural mineral diaboleite Pb2Cu(OH)4Cl2 with a tetragonal crystal structure, which is closely related to that of the frustrated spin-(1)/(2) magnet PbVO3. Magnetic susceptibility of diaboleite is well described by a Heisenberg spin model on a diluted square lattice with the nearest-neighbor exchange of J≃35 K and about 5% of nonmagnetic impurities. The dilution of the spin lattice reflects the formation of Cu vacancies that are tolerated by the crystal structure of diaboleite. The weak coupling between the magnetic planes triggers the long-range antiferromagnetic order below TN≃11 K. No evidence of magnetic frustration is found. We also analyze the signatures of the long-range order in heat-capacity data, and discuss the capability of identifying magnetic transitions with heat-capacity measurements.

  20. LATTICE: an interactive lattice computer code

    International Nuclear Information System (INIS)

    Staples, J.

    1976-10-01

    LATTICE is a computer code which enables an interactive user to calculate the functions of a synchrotron lattice. This program satisfies the requirements at LBL for a simple interactive lattice program by borrowing ideas from both TRANSPORT and SYNCH. A fitting routine is included

  1. Crystal twinning of human MD-2 recognizing endotoxin cores of lipopolysaccharide

    International Nuclear Information System (INIS)

    Ohto, Umeharu; Satow, Yoshinori

    2008-01-01

    Twinned crystals of humaan MD-2 are transformed into single crystals with cryoprotectant optimization. Twinning of crystals causes overlapping of two or more reciprocal lattice points, and hence structure amplitudes for a single crystalline domain are hardly obtained from X-ray diffraction intensities. MD-2 protein forms a stable complex with Toll-like receptor 4 and recognizes bacterial lipopolysaccharide (LPS). Excessive immune responses activated by LPS cause septic shocks. Saccharide-trimmed human MD-2 crystallizes in the tetragonal form with apparent Laue symmetry of 4/mmm, and diffraction intensities from these crystals indicate crystal twinning. The crystal consists of two different domains, A and B. The c A axis of domain A coincides with the c B axis of domain B with a smaller lattice, and the a A axis corresponds to the (a B + b B ) axis. This twinning severely imposes difficulty in structure determination. Through optimization of cryoprotectant, domain A was thoroughly transformed into domain B. The crystal containing only domain B is in space group P4 1 2 1 2 with one MD-2 molecule in the asymmetric unit. The structure of this form of MD-2 as well as its complex with antiendotoxic lipid IVa was successfully determined using the multiple isomorphous replacement method

  2. Chiral Asymmetric Structures in Aspartic Acid and Valine Crystals Assessed by Atomic Force Microscopy.

    Science.gov (United States)

    Teschke, Omar; Soares, David Mendez

    2016-03-29

    Structures of crystallized deposits formed by the molecular self-assembly of aspartic acid and valine on silicon substrates were imaged by atomic force microscopy. Images of d- and l-aspartic acid crystal surfaces showing extended molecularly flat sheets or regions separated by single molecule thick steps are presented. Distinct orientation surfaces were imaged, which, combined with the single molecule step size, defines the geometry of the crystal. However, single molecule step growth also reveals the crystal chirality, i.e., growth orientations. The imaged ordered lattice of aspartic acid (asp) and valine (val) mostly revealed periodicities corresponding to bulk terminations, but a previously unreported molecular hexagonal lattice configuration was observed for both l-asp and l-val but not for d-asp or d-val. Atomic force microscopy can then be used to identify the different chiral forms of aspartic acid and valine crystals.

  3. Lattice thermal expansion and solubility limits of neodymium-doped ceria

    International Nuclear Information System (INIS)

    Zhang, Jinhua; Ke, Changming; Wu, Hongdan; Yu, Jishun; Wang, Jingran

    2016-01-01

    Nd x Ce 1−x O 2−0.5x (x=0–1.0) powders were prepared by reverse coprecipitation-calcination method and characterized by XRD. The crystal structure of product powders transformed from single fluorite structure to the complex of fluorite and C-type cubic structure, and finally to trigonal structure with the increase of x-value. An empirical equation simulating the lattice parameter of neodymium doped ceria was established based on the experimental data. The lattice parameters of the fluorite structure solid solutions increased with extensive adoption of Nd 3+ , and the heating temperature going up. The average thermal expansion coefficients of neodymium doped ceria with fluorite structure are higher than 13.5×10 −6 °C −1 from room temperature to 1200 °C. - Graphical abstract: The crystal structure of Nd x Ce 1−x O 2−0.5x (x=0–1.0) powders transformed from single fluorite structure to the complex of fluorite and C-type cubic structure, and finally to trigonal structure with the increase of x-value.

  4. X-ray diffraction studies of NbTe 2 single crystal

    Indian Academy of Sciences (India)

    The composition of the grown crystals was confirmed on the basis of energy dispersive analysis by X-ray (EDAX) and remaining structural characterization was also accomplished by X-ray diffraction (XRD) studies. Lattice parameters, volume and X-ray density have been carried out for the grown crystals. The particle size ...

  5. Spin-Orbital Quantum Liquid on the Honeycomb Lattice

    Directory of Open Access Journals (Sweden)

    Philippe Corboz

    2012-11-01

    Full Text Available The main characteristic of Mott insulators, as compared to band insulators, is to host low-energy spin fluctuations. In addition, Mott insulators often possess orbital degrees of freedom when crystal-field levels are partially filled. While in the majority of Mott insulators, spins and orbitals develop long-range order, the possibility for the ground state to be a quantum liquid opens new perspectives. In this paper, we provide clear evidence that the spin-orbital SU(4 symmetric Kugel-Khomskii model of Mott insulators on the honeycomb lattice is a quantum spin-orbital liquid. The absence of any form of symmetry breaking—lattice or SU(N—is supported by a combination of semiclassical and numerical approaches: flavor-wave theory, tensor network algorithm, and exact diagonalizations. In addition, all properties revealed by these methods are very accurately accounted for by a projected variational wave function based on the π-flux state of fermions on the honeycomb lattice at 1/4 filling. In that state, correlations are algebraic because of the presence of a Dirac point at the Fermi level, suggesting that the symmetric Kugel-Khomskii model on the honeycomb lattice is an algebraic quantum spin-orbital liquid. This model provides an interesting starting point to understanding the recently discovered spin-orbital-liquid behavior of Ba_{3}CuSb_{2}O_{9}. The present results also suggest the choice of optical lattices with honeycomb geometry in the search for quantum liquids in ultracold four-color fermionic atoms.

  6. Tunable alumina 2D photonic-crystal structures via biomineralization of peacock tail feathers

    Science.gov (United States)

    Jiang, Yonggang; Wang, Rui; Feng, Lin; Li, Jian; An, Zhonglie; Zhang, Deyuan

    2018-04-01

    Peacock tail feathers with subtle periodic nanostructures exhibit diverse striking brilliancy, which can be applied as natural templates to fabricate artificial photonic crystals (PhCs) via a biomineralization method. Alumina photonic-crystal structures are successfully synthesized via an immersion and two-step calcination process. The lattice constants of the artificial PhCs are greatly reduced compared to their natural matrices. The lattice constants are tunable by modifying the final annealing conditions in the biomineralization process. The reflection spectra of the alumina photonic-crystal structures are measured, which is related to their material and structural parameters. This work suggests a facile fabrication process to construct alumina PhCs with a high-temperature resistance.

  7. Characterization of a polychromatic neutron beam diffracted by pyrolytic graphite crystals

    CERN Document Server

    Byun, S H; Choi, H D

    2002-01-01

    The beam spectrum for polychromatic neutrons diffracted by pyrolytic graphite crystals was characterized. The theoretical beam spectrum was obtained using the diffraction model for a mosaic crystal. The lattice vibration effects were included in the calculation using the reported vibration amplitude of the crystal and the measured time-of-flight spectra in the thermal region. The calculated beam spectrum was compared with the results obtained in the absence of thermal motion. The lattice vibration effects became more important for the higher diffraction orders and a large decrease in the neutron flux induced by the vibrations was identified in the epithermal region. The validity of the beam spectrum was estimated by comparing with the effective quantities determined from prompt gamma-ray measurements and Cd-ratios measured both for 1/nu and non-1/nu nuclides.

  8. Investigation of electronic lattice structure by positron annihilation in some insulators

    International Nuclear Information System (INIS)

    Coussot, Gerard

    1970-01-01

    The angular distribution of gamma quanta resulting from positron annihilation in single insulator crystals was measured with long slit geometry apparatus for intense positron sources ( 64 Cu ≅ 1 Ci). Two new phenomena were observed in the angular correlation curves. In the f. c. c. MgO, UO 2 , CaF 2 crystals, modulations appeared at angles corresponding to the limit of the first Brillouin zone in relation to the crystallographic direction studied. In SiO 2 , F 2 Mg, F 2 Mn crystals, a narrow peak at 0 mrad and a fine structure superimposed on the broad distribution, were resolved. The fine structure which is correlated with the narrow component is characterized by modulations appearing at angles corresponding to the projection of reciprocal lattice vectors along the crystallographic direction investigated. The narrow peak at p ≅ 0 suggests the formation of a bound state (positron-electron). If this bound state is described by a Bloch wave, the modulations observed correspond to the Fourier components which contribute to every reciprocal lattice vector p = G ('Umklapp' process). This model predicts that the 'Umklapp' process in polycrystals must produce a change in slope which can be experimentally observed. A systematic research of optimal observation conditions shows that the intensity of the narrow component is closely correlated with the purity and the perfection of the crystal where p-Ps is presumably formed as suggested by magnetic experiments. (author) [fr

  9. Three-dimensional magnetophotonic crystals based on artificial opals

    Science.gov (United States)

    Baryshev, A. V.; Kodama, T.; Nishimura, K.; Uchida, H.; Inoue, M.

    2004-06-01

    We fabricated and experimentally investigated three-dimensional magnetophotonic crystals (3D MPCs) based on artificial opals. Opal samples with three-dimensional dielectric lattices were impregnated with different types of magnetic material. Magnetic and structural properties of 3D MPCs were studied by field emission scanning electron microscopy, x-ray diffraction analysis, and vibrating sample magnetometer. We have shown that magnetic materials synthesized in voids of opal lattices and the composites obtained have typical magnetic properties.

  10. Three-dimensional magnetophotonic crystals based on artificial opals

    International Nuclear Information System (INIS)

    Baryshev, A.V.; Kodama, T.; Nishimura, K.; Uchida, H.; Inoue, M.

    2004-01-01

    We fabricated and experimentally investigated three-dimensional magnetophotonic crystals (3D MPCs) based on artificial opals. Opal samples with three-dimensional dielectric lattices were impregnated with different types of magnetic material. Magnetic and structural properties of 3D MPCs were studied by field emission scanning electron microscopy, x-ray diffraction analysis, and vibrating sample magnetometer. We have shown that magnetic materials synthesized in voids of opal lattices and the composites obtained have typical magnetic properties

  11. Image transfer by cascaded stack of photonic crystal and air layers

    NARCIS (Netherlands)

    Shen, C.; Michielsen, K.; Raedt, H. De

    2006-01-01

    We demonstrate image transfer by a cascaded stack consisting of two and three triangular-lattice photonic crystal slabs separated by air. The quality of the image transfered by the stack is sensitive to the air/photonic crystal interface termination and the frequency. Depending on the frequency and

  12. Investigations of the EPR parameters and local lattice structure for the rhombic Cu{sup 2+} centre in TZSH crystal

    Energy Technology Data Exchange (ETDEWEB)

    Li, Chao-Ying; Liu, Shi-Fei; Fu, Jin-Xian [Shangrao Normal University, Jiangxi (China). School of Physics and Electronic Information

    2016-07-01

    The electron paramagnetic resonance (EPR) parameters [i.e. g factors g{sub i} (i=x, y, z) and hyperfine structure constants A{sub i}] and the local lattice structure for the Cu{sup 2+} centre in Tl{sub 2}Zn(SO{sub 4}){sub 2}.6H{sub 2}O (TZSH) crystal were theoretically investigated by utilising the perturbation formulae of these parameters for a 3d{sup 9} ion under rhombically elongated octahedra. In the calculations, the admixture of d orbitals in the ground state and the ligand orbital and spin-orbit coupling interactions are taken into account based on the cluster approach. The theoretical EPR parameters show good agreement with the observed values, and the Cu{sup 2+}-H{sub 2}O bond lengths are obtained as follows: R{sub x}∼1.98 Aa, R{sub y}∼2.09 Aa, R{sub z}∼2.32 Aa. The results are discussed.

  13. Novel Transrotational Solid State Order Discovered by TEM in Crystallizing Amorphous Films

    Science.gov (United States)

    Kolosov, Vladimir

    Exotic thin crystals with unexpected transrotational microstructures have been discovered by transmission electron microscopy (TEM) for crystal growth in thin (10-100 nm) amorphous films of different chemical nature (oxides, chalcogenides, metals and alloys) prepared by various methods. Primarily we use our TEM bend contour technique. The unusual phenomenon can be traced in situ in TEM column: dislocation independent regular internal bending of crystal lattice planes in a growing crystal. Such transrotation (unit cell trans lation is complicated by small rotationrealized round an axis lying in the film plane) can result in strong regular lattice orientation gradients (up to 300 degrees per micrometer) of different geometries: cylindrical, ellipsoidal, toroidal, saddle, etc. Transrotation is increasing as the film gets thinner. Transrotational crystal resembles ideal single crystal enclosed in a curved space. Transrotational micro crystals have been eventually recognized by other authors in some vital thin film materials, i.e. PCMs for memory, silicides, SrTiO3. Atomic model and possible mechanisms of the phenomenon are discussed. New transrotational nanocrystalline model of amorphous state is also proposed Support of RF Ministry of Education and Science is acknowledged.

  14. Diffusion in Coulomb crystals.

    Science.gov (United States)

    Hughto, J; Schneider, A S; Horowitz, C J; Berry, D K

    2011-07-01

    Diffusion in Coulomb crystals can be important for the structure of neutron star crusts. We determine diffusion constants D from molecular dynamics simulations. We find that D for Coulomb crystals with relatively soft-core 1/r interactions may be larger than D for Lennard-Jones or other solids with harder-core interactions. Diffusion, for simulations of nearly perfect body-centered-cubic lattices, involves the exchange of ions in ringlike configurations. Here ions "hop" in unison without the formation of long lived vacancies. Diffusion, for imperfect crystals, involves the motion of defects. Finally, we find that diffusion, for an amorphous system rapidly quenched from Coulomb parameter Γ=175 to Coulomb parameters up to Γ=1750, is fast enough that the system starts to crystalize during long simulation runs. These results strongly suggest that Coulomb solids in cold white dwarf stars, and the crust of neutron stars, will be crystalline and not amorphous.

  15. Topological photonic crystals with zero Berry curvature

    Science.gov (United States)

    Liu, Feng; Deng, Hai-Yao; Wakabayashi, Katsunori

    2018-02-01

    Topological photonic crystals are designed based on the concept of Zak's phase rather than the topological invariants such as the Chern number and spin Chern number, which rely on the existence of a nonvanishing Berry curvature. Our photonic crystals (PCs) are made of pure dielectrics and sit on a square lattice obeying the C4 v point-group symmetry. Two varieties of PCs are considered: one closely resembles the electronic two-dimensional Su-Schrieffer-Heeger model, and the other continues as an extension of this analogy. In both cases, the topological transitions are induced by adjusting the lattice constants. Topological edge modes (TEMs) are shown to exist within the nontrivial photonic band gaps on the termination of those PCs. The high efficiency of these TEMs transferring electromagnetic energy against several types of disorders has been demonstrated using the finite-element method.

  16. Numerical simulation of terahertz-wave propagation in photonic crystal waveguide based on sapphire shaped crystal

    International Nuclear Information System (INIS)

    Zaytsev, Kirill I; Katyba, Gleb M; Mukhina, Elena E; Kudrin, Konstantin G; Karasik, Valeriy E; Yurchenko, Stanislav O; Kurlov, Vladimir N; Shikunova, Irina A; Reshetov, Igor V

    2016-01-01

    Terahertz (THz) waveguiding in sapphire shaped single crystal has been studied using the numerical simulations. The numerical finite-difference analysis has been implemented to characterize the dispersion and loss in the photonic crystalline waveguide containing hollow cylindrical channels, which form the hexagonal lattice. Observed results demonstrate the ability to guide the THz-waves in multi-mode regime in wide frequency range with the minimal power extinction coefficient of 0.02 dB/cm at 1.45 THz. This shows the prospectives of the shaped crystals for highly-efficient THz waveguiding. (paper)

  17. Computational study of heat transport in compositionally disordered binary crystals

    International Nuclear Information System (INIS)

    Lyver, John W.; Blaisten-Barojas, Estela

    2006-01-01

    The thermal conductivity of compositionally disordered binary crystals with atoms interacting through Lennard-Jones potentials has been studied as a function of temperature. The two species in the crystal differ in mass, hard-core atomic diameter, well depth and relative concentration. The isobaric Monte Carlo was used to equilibrate the samples at near-zero pressure. The isoenergy molecular dynamics combined with the Green-Kubo approach was taken to calculate the heat current time-dependent autocorrelation function and determine the lattice thermal conductivity of the sample. The inverse temperature dependence of the lattice thermal conductivity was shown to fail at low temperatures when the atomic diameters of the two species differ. Instead, the thermal conductivity was nearly a constant across temperatures for species with different atomic diameters. Overall, it is shown that there is a dramatic decrease of the lattice thermal conductivity with increasing atomic radii ratio between species and a moderate decrease due to mass disorder

  18. Parallel computer calculation of quantum spin lattices

    International Nuclear Information System (INIS)

    Lamarcq, J.

    1998-01-01

    Numerical simulation allows the theorists to convince themselves about the validity of the models they use. Particularly by simulating the spin lattices one can judge about the validity of a conjecture. Simulating a system defined by a large number of degrees of freedom requires highly sophisticated machines. This study deals with modelling the magnetic interactions between the ions of a crystal. Many exact results have been found for spin 1/2 systems but not for systems of other spins for which many simulation have been carried out. The interest for simulations has been renewed by the Haldane's conjecture stipulating the existence of a energy gap between the ground state and the first excited states of a spin 1 lattice. The existence of this gap has been experimentally demonstrated. This report contains the following four chapters: 1. Spin systems; 2. Calculation of eigenvalues; 3. Programming; 4. Parallel calculation

  19. Coupled Photonic Crystal Cavity Array Laser

    DEFF Research Database (Denmark)

    Schubert, Martin

    in the quadratic lattice. Processing techniques are developed and optimized in order fabricate photonic crystals membranes in gallium arsenide with quantum dots as gain medium and in indium gallium arsenide phosphide with quantum wells as gain medium. Several key issues in process to ensure good quality....... The results are in good agreement with standard coupled mode theory. Also a novel type of photonic crystal structure is proposed called lambda shifted cavity which is a twodimensional photonic crystal laser analog of a VCSEL laser. Detailed measurements of the coupled modes in the photonic crystals...... with quantum dots are carried out. In agreement with a simple gain model the structures do not show stimulated emission. The spectral splitting due to the coupling between single cavities as well as arrays of cavities is studied theoretically and experimentally. Lasing is observed for photonic crystal cavity...

  20. Intergrain Coupling in Dusty-Plasma Coulomb Crystals

    International Nuclear Information System (INIS)

    Mohideen, U.; Smith, M.A.; Rahman, H.U.; Rosenberg, M.; Mendis, D.A.

    1998-01-01

    We have studied the lattice structure of dusty-plasma Coulomb crystals formed in rectangular conductive grooves as a function of plasma temperature and density. The crystal appears to be made of mutually repulsive columns of grains confined by the walls of the groove. The columns are oriented along the direction of the electrode sheath electric field. A simple phenomenological model wherein the intergrain spacing results from an attractive electric-field-induced dipole-dipole force balanced by a repulsive monopole Coulomb force is consistent with observed features of the Coulomb crystal. copyright 1998 The American Physical Society

  1. Low Loss Single-Mode Porous-Core Kagome Photonic Crystal Fiber for THz Wave Guidance

    DEFF Research Database (Denmark)

    Hasanuzzaman, G. K. M.; Habib, Selim; Abdur Razzak, S. M.

    2015-01-01

    A novel porous-core kagome lattice photonic crystal fiber (PCF) is designed and analyzed in this paper for terahertz (THz) wave guidance. Using finite element method (FEM), properties of the proposed kagome lattice PCF are simulated in details including the effective material loss (EML), confinem...

  2. Structure and lattice dynamics in non-centrosymmetric borates; Struktur und Gitterdynamik in azentrischen Boraten

    Energy Technology Data Exchange (ETDEWEB)

    Stein, W.D.R.

    2007-04-23

    This thesis deals with a study of structural and lattice dynamical properties of some noncentrosymmetric borates with outstanding non-linear optical properties. The focus was on the compound bismuth triborate (BiB{sub 3}O{sub 6}). The structure of the tetraborates MB{sub 4}O{sub 7} (M=Pb,Sr,Ba) was also investigated. The structural investigations in bismuth triborate include powder and single crystal diffraction experiments on X-ray and neutron sources. The crystal structure was under examination in the temperature range from 100 K to room temperature and the lattice constants in the temperature range from 20 K to 800 K. The lattice constants show a nearly linear dependency from temperature. Our observations are in good agreement with investigations of the thermal expansion, which shows a strong anisotropy within the layer-like structure of bismuth triborate. Within the borate layers, along the polar axis a strong positive and in the orthogonal direction a negative thermal expansion is observed. This effect can be explained by a zig-zag effect within the borate layers. The lone electron pair at the bismuth atom is discussed to be possibly the origin of the temperature dependency of the coordination environment of the bismuth atom. The influence of the lone electron pair on the crystal structure is raising by lowering the temperature. At the bismuth atom distinct anharmonic effects are observed, where the maximum points along the direction of the polar axis and therefore along the direction of the lone electron pair. The phonon dispersion of bismuth triborate has been investigated by inelastic neutron scattering. The low symmetry of the crystal structure depicts to be a special challenge. The dispersion was observed along the three reciprocal lattice constants. Along the polar axis the dispersion could be characterized to a maximum energy of 20 THz. The low energy acoustic branch along the polar axis shows a softening at the zone boundary. In the orthogonal

  3. Charge-lattice interplay in layered cobaltates RBaCo2O5+x

    Science.gov (United States)

    Lavrov, A. N.; Kameneva, M. Yu.; Kozeeva, L. P.; Zhdanov, K. R.

    2017-10-01

    X-ray diffraction, electrical resistivity and thermal expansion measurements are used to study the interrelation between the structural, magnetic and electron-transport peculiarities in RBaCo2O5+x (R=Y, Gd) over a wide range of oxygen contents. We find that the anisotropic lattice strain caused by the oxygen chain ordering in these compounds favors the metallic state and is a necessary condition for the coupled insulator-to-metal and spin-state phase transitions to occur. The obtained data point to the key role of the crystal lattice in selecting the preferred spin and orbital states of cobalt ions.

  4. Lattice location of Mn in GaAs and GaN

    CERN Document Server

    De Coster, Arnaud; Vantomme, André; Temst, Kristiaan

    The field of dilute magnetic semiconductors (DMS) has seen a lot of development in the past decades, both from a fundamental interest in the link between magnetic and conducting properties and with an eye to potential applications in computer technology. While the presence of semiconducting properties and magnetism in a given material is not out of the ordinary, DMS materials stand out because the charge carriers actually mediate between magnetic moments in the lattice, causing the ferromagnetic ordering. These magnetic moments and charge carriers are supplied by transition-metal (TM) dopants in a classic semiconductor. The location where these dopants are incorporated will determine if they will act as either an acceptor or donor and how they will couple to other magnetic moments. Hence, in order to achieve a better understanding of DMS, accurate knowledge of the lattice location the TM takes up in the crystal is vital. In this thesis the lattice location of Mn in GaAs and GaN is studied, two model materials...

  5. Fluorescence imaging of lattice re-distribution on step-index direct laser written Nd:YAG waveguide lasers

    Energy Technology Data Exchange (ETDEWEB)

    Martínez de Mendívil, Jon; Pérez Delgado, Alberto; Lifante, Ginés; Jaque, Daniel [Departamento de Física de Materiales, Facultad de Ciencias, Universidad Autónoma de Madrid, Madrid 28049 (Spain); Ródenas, Airán [Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, Tarragona 43007 (Spain); Institute of Photonics and Quantum Sciences, Heriot-Watt University, Edinburgh EH14 4AS (United Kingdom); Benayas, Antonio, E-mail: antonio.benayas@emt.inrs.ca [Departamento de Física de Materiales, Facultad de Ciencias, Universidad Autónoma de Madrid, Madrid 28049 (Spain); Institut National de la Recherche Scientifique, Centre – Énergie Matériaux et Télécommunications, 1650, Boul. Lionel Boulet Varennes, Quebec J3X 1S2 (Canada); Aguiló, Magdalena; Diaz, Francesc [Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, Tarragona 43007 (Spain); Kar, Ajoy K. [Institute of Photonics and Quantum Sciences, Heriot-Watt University, Edinburgh EH14 4AS (United Kingdom)

    2015-01-14

    The laser performance and crystalline micro-structural properties of near-infrared step-index channel waveguides fabricated inside Neodymium doped YAG laser ceramics by means of three-dimensional sub-picosecond pulse laser direct writing are reported. Fluorescence micro-mapping of the waveguide cross-sections reveals that an essential crystal lattice re-distribution has been induced after short pulse irradiation. Such lattice re-distribution is evidenced at the waveguide core corresponding to the laser written refractive index increased volume. The waveguides core surroundings also present diverse changes including slight lattice disorder and bi-axial strain fields. The step-index waveguide laser performance is compared with previous laser fabricated waveguides with a stress-optic guiding mechanism in absence of laser induced lattice re-distribution.

  6. Determination of lattice parameters, strain state and composition in semipolar III-nitrides using high resolution X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Frentrup, Martin, E-mail: frentrup@physik.tu-berlin.de; Wernicke, Tim; Stellmach, Joachim; Kneissl, Michael [Institute of Solid State Physics, Technische Universität Berlin, Hardenbergstr. 36, 10623 Berlin (Germany); Hatui, Nirupam; Bhattacharya, Arnab [Department of Condensed Matter Physics and Materials Science, Tata Institute of Fundamental Research, Homi Bhabha Road, Mumbai 400005 (India)

    2013-12-07

    In group-III-nitride heterostructures with semipolar or nonpolar crystal orientation, anisotropic lattice and thermal mismatch with the buffer or substrate lead to a complex distortion of the unit cells, e.g., by shearing of the lattice. This makes an accurate determination of lattice parameters, composition, and strain state under assumption of the hexagonal symmetry impossible. In this work, we present a procedure to accurately determine the lattice constants, strain state, and composition of semipolar heterostructures using high resolution X-ray diffraction. An analysis of the unit cell distortion shows that four independent lattice parameters are sufficient to describe this distortion. Assuming only small deviations from an ideal hexagonal structure, a linear expression for the interplanar distances d{sub hkl} is derived. It is used to determine the lattice parameters from high resolution X-ray diffraction 2ϑ-ω-scans of multiple on- and off-axis reflections via a weighted least-square fit. The strain and composition of ternary alloys are then evaluated by transforming the elastic parameters (using Hooke's law) from the natural crystal-fixed coordinate system to a layer-based system, given by the in-plane directions and the growth direction. We illustrate our procedure taking an example of (112{sup ¯}2) Al{sub κ}Ga{sub 1−κ}N epilayers with Al-contents over the entire composition range. We separately identify the in-plane and out-of-plane strains and discuss origins for the observed anisotropy.

  7. Comparable studies of magnetic properties of Ising spins-5/2 and 3/2 systems on decorated square and triangular lattices

    International Nuclear Information System (INIS)

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

    2016-01-01

    In this work, we have studied and compared the magnetic properties of Ising spins-5/2 and 3/2 systems on decorated square and triangular lattices using the Monte Carlo simulations. The transition temperature of the two-dimensional decorated square and triangular lattices has been obtained. The effect of the exchange interactions and crystal field on the magnetization is investigated. The magnetic coercive field and saturation magnetization of the two-dimensional decorated square and triangular lattices have been obtained.

  8. Comparable studies of magnetic properties of Ising spins-5/2 and 3/2 systems on decorated square and triangular lattices

    Energy Technology Data Exchange (ETDEWEB)

    Masrour, R., E-mail: rachidmasrour@hotmail.com [Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, 63 46000 Safi (Morocco); Jabar, A. [Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, 63 46000 Safi (Morocco); Benyoussef, A. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Hassan II Academy of Science and Technology, Rabat (Morocco); Hamedoun, M. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco)

    2016-07-15

    In this work, we have studied and compared the magnetic properties of Ising spins-5/2 and 3/2 systems on decorated square and triangular lattices using the Monte Carlo simulations. The transition temperature of the two-dimensional decorated square and triangular lattices has been obtained. The effect of the exchange interactions and crystal field on the magnetization is investigated. The magnetic coercive field and saturation magnetization of the two-dimensional decorated square and triangular lattices have been obtained.

  9. Lattice QCD

    International Nuclear Information System (INIS)

    Hasenfratz, P.

    1983-01-01

    The author presents a general introduction to lattice gauge theories and discusses non-perturbative methods in the gauge sector. He then shows how the lattice works in obtaining the string tension in SU(2). Lattice QCD at finite physical temperature is discussed. Universality tests in SU(2) lattice QCD are presented. SU(3) pure gauge theory is briefly dealt with. Finally, fermions on the lattice are considered. (Auth.)

  10. Order, disorder and chaos in crystal lattice

    International Nuclear Information System (INIS)

    Oliveira, M.J. de; Salinas, S.R.A.

    1985-01-01

    The properties of two two-dimensional mappings corresponding to the solutions of spin models on a Cayley tree in infinite coordination limit are analised in detail. The models under consideration are related to some mechanisms which were proposed to explain the occurrence of modulated phases in magnetic crystals. The existence of devil's staircases characterized by fractal dimensionalities which increase with temperature is shown. Numerical evidences to support the existence of a strange attractor, of a fractal character, in the Ising model with competing interactions restricted to the branches of a Cayley tree are presented. The route to chaos agrees with the scenario of Feigenbaum. (Author) [pt

  11. Effects of Cr 3+ impurity concentration on the crystallography of synthetic emerald crystals

    Science.gov (United States)

    Lee, Pei-Lun; Huang, Eugene; Lee, Jan-Shing; Yu, Shu-Cheng

    2011-06-01

    Flux method has been adopted for the synthesis of emerald crystals using PbO-V 2O 5 as a flux in order to study the crystallography of the synthetic crystals. In general, the hue of green color of emerald deepens with the addition of Cr 3+. The molar volume of the synthesized crystals was found to increase with the incorporation of Cr 2O 3 dopant. The substitution of Cr 3+ for Al 3+ in the octahedral sites of beryl results in the expansion of a-axis, while c-axis remains nearly unchanged. The maximum Cr 2O 3-content allowed in the crystal lattice of emerald has been found to be about 3.5 wt%. When the doping Cr 2O 3-content exceeds 3.5 wt%, a significant anomaly in lattice parameters starts to take place, accompanying the precipitation of an unknown phase in the emerald matrix.

  12. Combined ion beam and hyperfine interaction studies of LiNbO3 single crystals

    International Nuclear Information System (INIS)

    Marques, J.G.; Kling, A.; Soares, J.C.; Rebouta, L.

    1999-01-01

    A review of recent studies of LiNbO 3 crystals doped with Hf and Mg,Hf combining high precision RBS/channelling, PIXE/channelling and hyperfine interaction techniques is presented. The lattice location of Hf was found to depend strongly on the dopant concentration, crystal stoichiometry and Mg co-doping level. At low concentrations Hf occupies Li sites in congruent crystals, while it occupies both Li and Nb sites for higher doping levels or in near-stoichiometric crystals. Co-doping with Mg also forces a split location of Hf in Li and Nb sites and when the MgO amount exceeds 4.5 mol% Hf occupies only Nb sites. Neutron irradiation of these crystals displaces Hf from its initial lattice site and leads to a strong decrease of the Nb site fraction. The results are discussed in the framework of the Li and Nb vacancy models currently proposed in the literature for the defect structure of LiNbO 3 . (author)

  13. Investigation of the crystal lattice defects by means of the positrons annihilations

    International Nuclear Information System (INIS)

    Dryzek, J.

    1994-01-01

    In this report the positrons annihilation methods as a tool for the crystal defects studies is presented. The short description of the positron - crystal interactions and different positron capture models are discussed. 192 refs, 67 figs, 6 tabs

  14. Lattice site of helium implanted in Si and diamond

    International Nuclear Information System (INIS)

    Allen, W.R.

    1993-01-01

    Single crystals of silicon and diamond were implanted at 300K with 70 keV 3 He. Ion channeling analyses were executed by application of Rutherford backscattering spectrometry and nuclear reaction analysis. Helium exhibits a non-random lattice site in the channeling angular distributions for silicon and diamond. A major fraction of the implanted He was qualitatively identified to be near to the tetrahedral interstice in both materials

  15. The edition of a personal computer program for determining lattice constants and its application in materials for storage of hydrogen

    International Nuclear Information System (INIS)

    Chen Yongzhong; Bai Chaomao; Lang Dingmu; Zhang Youshou

    1998-01-01

    The equations for finding lattice constants of the 7 crystal systems were completely deduced using the M.U.Cohen least square method. From the deduction process it is obvious that the equation forms had nothing to do with the extrapolation functions so any of them can be used. (But in practice, cos 2 θ and cos 2 θ(1/sinθ + 1/θ) were generally performed.) After a personal computer program was finished using above mathematic model, the lattice constants of materials for storage of hydrogen ZrCo and LaNi 5-x M x (M = Mn, Al) were determined. The results showed that the program is very good for finding lattice parameters and can be used in the 7 crystal systems. The results also showed to the LaNi 5 alloy its lattice constants increase when the elements (such as Mn, Al, etc.) whose atomic radii are larger than that of Ni are substituted for Ni and when the content of the same substitutional element Al goes up. This phenomenon is in accordance with the theory

  16. Indentation Size Effects in Single Crystal Copper as Revealed by Synchrotron X-ray Microdiffraction

    Energy Technology Data Exchange (ETDEWEB)

    Feng, G.; Budiman, A. S.; Nix, W. D.; Tamura, N.; Patel, J. R.

    2007-11-19

    The indentation size effect (ISE) has been observed in numerous nanoindentation studies on crystalline materials; it is found that the hardness increases dramatically with decreasing indentation size - a 'smaller is stronger' phenomenon. Some have attributed the ISE to the existence of strain gradients and the geometrically necessary dislocations (GNDs). Since the GND density is directly related to the local lattice curvature, the Scanning X-ray Microdiffraction ({mu}SXRD) technique, which can quantitatively measure relative lattice rotations through the streaking of Laue diffractions, can used to study the strain gradients. The synchrotron {mu}SXRD technique we use - which was developed at the Advanced Light Source (ALS), Berkeley Lab - allows for probing the local plastic behavior of crystals with sub-micrometer resolution. Using this technique, we studied the local plasticity for indentations of different depths in a Cu single crystal. Broadening of Laue diffractions (streaking) was observed, showing local crystal lattice rotation due to the indentation-induced plastic deformation. A quantitative analysis of the streaking allows us to estimate the average GND density in the indentation plastic zones. The size dependence of the hardness, as found by nanoindentation, will be described, and its correlation to the observed lattice rotations will be discussed.

  17. Lattice thermal expansion and solubility limits of neodymium-doped ceria

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Jinhua, E-mail: jhzhang1212@126.com [The State Key Laboratory of Refractories and Metallurgy, Wuhan University of Science and Technology, Wuhan 430081 (China); State Key laboratory of Geological Process and Mineral Resources, China University of Geosciences, Wuhan 430074 (China); Ke, Changming [The State Key Laboratory of Refractories and Metallurgy, Wuhan University of Science and Technology, Wuhan 430081 (China); Wu, Hongdan [College of Resources and Enviromental Engineering, Wuhan University of Science and Technology, Wuhan 430081 (China); Yu, Jishun [State Key laboratory of Geological Process and Mineral Resources, China University of Geosciences, Wuhan 430074 (China); Wang, Jingran [The State Key Laboratory of Refractories and Metallurgy, Wuhan University of Science and Technology, Wuhan 430081 (China)

    2016-11-15

    Nd{sub x}Ce{sub 1−x}O{sub 2−0.5x} (x=0–1.0) powders were prepared by reverse coprecipitation-calcination method and characterized by XRD. The crystal structure of product powders transformed from single fluorite structure to the complex of fluorite and C-type cubic structure, and finally to trigonal structure with the increase of x-value. An empirical equation simulating the lattice parameter of neodymium doped ceria was established based on the experimental data. The lattice parameters of the fluorite structure solid solutions increased with extensive adoption of Nd{sup 3+}, and the heating temperature going up. The average thermal expansion coefficients of neodymium doped ceria with fluorite structure are higher than 13.5×10{sup −6} °C{sup −1} from room temperature to 1200 °C. - Graphical abstract: The crystal structure of Nd{sub x}Ce{sub 1−x}O{sub 2−0.5x} (x=0–1.0) powders transformed from single fluorite structure to the complex of fluorite and C-type cubic structure, and finally to trigonal structure with the increase of x-value.

  18. Interaction of vortex lattice with ultrasound and the acoustic Faraday effect

    International Nuclear Information System (INIS)

    Dominguez, D.; Bulaevskii, L.; Ivlev, B.; Maley, M.; Bishop, A.R.

    1995-01-01

    The interaction of sound with the vortex lattice is considered for high-T c superconductors, taking into account pinning and electrodynamic forces between vortices and crystal displacements. At low temperatures the Magnus force results in the acoustic Faraday effect; the velocity of sound propagating along the magnetic field depends on the polarization. This effect is linear in the Magnus force and magnetic field in crystals with equivalent a and b axes for a field parallel to the c axis. In the thermally activated flux flow regime, the Faraday effect is caused by electric and magnetic fields induced by vortices and acting on ions

  19. 'Ionic crystals' consisting of trinuclear macrocations and ...

    Indian Academy of Sciences (India)

    T Arumuganathan

    )(ClCH2COO)6(H2O)3]4. [SiW12O40] ... solid state properties to obtain new materials in appli- ... Reflections Collected/unique ... covalent bonds in the relevant crystal lattice having ...... the relevant parameters are given in Tables 5 and 6,.

  20. Effect of ion nitriding on the crystal structure of 3 mol% Y2O3-doped ZrO2 thin-films prepared by the sol-gel method

    International Nuclear Information System (INIS)

    Ortiz, A.L.; Diaz-Parralejo, A.; Borrero-Lopez, O.; Guiberteau, F.

    2006-01-01

    We investigated the effect of ion nitriding on the crystal structure of 3 mol% Y 2 O 3 -doped ZrO 2 (3YSZ) thin-films prepared by the sol-gel method. For this purpose, we used X-ray diffractometry to determine the crystalline phases, the lattice parameters, the crystal sizes, and the lattice microstrains, and glow discharge-optical emission spectroscopy to obtain the depth profiles of the elemental chemical composition. We found that nitrogen atoms substitute oxygen atoms in the 3YSZ crystal, thus leading to the formation of unsaturated-substitutional solid solutions with reduced lattice parameters and Zr 0.94 Y 0.06 O 1.72 N 0.17 stoichiometric formula. We also found that ion nitriding does not affect the grain size, but does generate lattice microstrains due to the increase in point defects in the crystalline lattice

  1. DGR, GGR; molecular dynamical codes for simulating radiation damages in diamond and graphite crystals

    International Nuclear Information System (INIS)

    Taji, Yukichi

    1984-06-01

    Development has been made of molecular dynamical codes DGR and GGR to simulate radiation damages yielded in the diamond and graphite structure crystals, respectively. Though the usual molecular dynamical codes deal only with the central forces as the mutual interactions between atoms, the present codes can take account of noncentral forces to represent the effect of the covalent bonds characteristic of diamond or graphite crystals. It is shown that lattice defects yielded in these crystals are stable by themselves in the present method without any supports of virtual surface forces set on the crystallite surfaces. By this effect the behavior of lattice defects has become possible to be simulated in a more realistic manner. Some examples of the simulation with these codes are shown. (author)

  2. Kinetic coefficients in isotopically disordered crystals

    International Nuclear Information System (INIS)

    Zhernov, Arkadii P; Inyushkin, Alexander V

    2002-01-01

    Peculiarities of the behavior of kinetic coefficients, like thermal conductivity, electric conductivity, and thermoelectric power, in isotopically disordered materials are reviewed in detail. New experimental and theoretical results on the isotope effects in the thermal conductivity of diamond, Ge, and Si semiconductors are presented. The suppression effect of phonon-drag thermopower in the isotopically disordered Ge crystals is discussed. The influence of dynamic and static crystal lattice deformations on the electric conductivity of metals as well as on the ordinary phonon spectrum deformations is considered. (reviews of topical problems)

  3. High resolution diffraction imaging of mercuric iodide: Demonstration of the necessity for alternate crystal processing techniques for highly purified material

    International Nuclear Information System (INIS)

    Steiner, B.; Berg, L. van den; Laor, U.

    1995-01-01

    The overall crystalline lattice uniformity in recently available, highly purified mercuric iodide single crystals has been shown to be impacted by crystal handling techniques that were previously satisfactory. High resolution diffraction imaging of the surface regularity of crystals of various levels of purity and growth orientation shows: (1) that the newer materials have a generally lower level of precipitates, (2) that the incidence of these precipitates is now closely correlated with growth direction, and (3) that the deformation resistance and resulting sensitivity to crystal handling procedures are also closely correlated with these factors in this soft material. As a result, gentler cutting and polishing procedures have been developed and are shown to be effective in preserving overall lattice regularity in the new material. The polishing required to remove residual surface scratches affect the lattice orientation of the softer, precipitate-free regions, while not affecting those regions with detectable levels of precipitates. These results correlate closely with the electrical properties of devices made from these crystals. Mercuric iodide single crystals have proved to be particularly useful for x and γ ray detectors because their room temperature operation allow for simple, efficient, and compact instrumentation

  4. Angle-resolved imaging of single-crystal materials with MeV helium ions

    Energy Technology Data Exchange (ETDEWEB)

    Strathman, M D; Baumann, S [Charles Evans and Associates, Redwood City, CA (United States)

    1992-02-01

    The simplest form of angle-resolved mapping for single-crystal materials is the creation of a channeling angular scan. Several laboratories have expanded this simple procedure to include mapping as a function of two independent tilts. These angle-resolved images are particularly suited to the assessment of crystal parameters including disorder, lattice location of impurities, and lattice stress. This paper will describe the use of the Charles Evans and Associates RBS-400 scattering chamber for acquisition, display, and analysis of angle-resolved images obtained from backscattered helium ions. Typical data acquisition times are 20 min for a {+-}2deg X-Y tilt scan with 2500 pixels (8/100deg resolution), and 10 nC per pixel. In addition, we will present a method for automatically aligning crystals for channeling measurements based on this imaging technology. (orig.).

  5. Angle-resolved imaging of single-crystal materials with MeV helium ions

    International Nuclear Information System (INIS)

    Strathman, M.D.; Baumann, S.

    1992-01-01

    The simplest form of angle-resolved mapping for single-crystal materials is the creation of a channeling angular scan. Several laboratories have expanded this simple procedure to include mapping as a function of two independent tilts. These angle-resolved images are particularly suited to the assessment of crystal parameters including disorder, lattice location of impurities, and lattice stress. This paper will describe the use of the Charles Evans and Associates RBS-400 scattering chamber for acquisition, display, and analysis of angle-resolved images obtained from backscattered helium ions. Typical data acquisition times are 20 min for a ±2deg X-Y tilt scan with 2500 pixels (8/100deg resolution), and 10 nC per pixel. In addition, we will present a method for automatically aligning crystals for channeling measurements based on this imaging technology. (orig.)

  6. High-Q microwave resonators with a photonic crystal structure

    International Nuclear Information System (INIS)

    Schuster, M.

    2001-08-01

    The localisation of electromagnetic energy at a defect in a photonic crystal is similar to a well known effect employed to construct high-Q microwave resonators: In a whispering gallery (WHG-) mode resonator the high Q-factor is achieved by localisation of the electromagnetic field energy by total reflection inside a disk made of dielectric material. The topic of this work is to demonstrate, that WHG-like modes can exist in an air defect in a photonic crystal that extends over several lattice periods; and that a high-Q microwave resonator can be made, utilizing these resonant modes. In numerical simulations, the transmission properties of a photonic crystal structure with hexagonal lattice symmetry have been investigated with a transfer-matrix-method. The eigenmodes of a defect structure in a photonic crystal have been calculated with a quasi-3d finite element integration technique. Experimental results confirm the simulated transmission properties and show the existence of modes inside the band gap, when a defect is introduced in the crystal. Resonator measurements show that a microwave resonator can be operated with those defect modes. It was found out that the main losses of the resonator were caused by bad microwave properties of the used dielectric material and by metal losses on the top and bottom resonator walls. Furthermore, it turned out that the detection of the photonic crystal defect mode was difficult because of a lack of simulation possibilities and high housing mode density in the resonator. (orig.)

  7. Growth and microtopographic study of CuInSe{sub 2} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Chauhan, Sanjaysinh M.; Chaki, Sunil, E-mail: sunilchaki@yahoo.co.in; Deshpande, M. P. [Department of Physics, Sardar Patel University, Vallabh Vidyanagar, Gujarat - 388120 (India); Tailor, J. P. [Applied Physics Department, S.V.N.I.T., Surat, Gujarat - 395007 (India)

    2016-05-23

    The CuInSe{sub 2} single crystals were grown by chemical vapour transport (CVT) technique using iodine as transporting agent. The elemental composition of the as-grown CuInSe{sub 2} single crystals was determined by energy dispersive analysis of X-ray (EDAX). The unit cell crystal structure and lattice parameters were determined by X-ray diffraction (XRD) technique. The surface microtopographic study of the as-grown CuInSe{sub 2} single crystals surfaces were done to study the defects, growth mechanism, etc. of the CVT grown crystals.

  8. Fluorescence lifetime of emitters with broad homogeneous linewidths modified in opal photonic crystals

    DEFF Research Database (Denmark)

    Nikolaev, Ivan S.; Lodahl, Peter; Vos, Willem L.

    2008-01-01

    We have investigated the dynamics of spontaneous emission from dye molecules embedded in opal photonic crystals. Fluorescence lifetimes of Rhodamine 6G (R6G) dye were measured as a function of both optical frequency and crystal lattice parameter of the polystyrene opals. Due to the broad...

  9. Twinning processes in Cu-Al-Ni martensite single crystals investigated by neutron single crystal diffraction method

    International Nuclear Information System (INIS)

    Molnar, P.; Sittner, P.; Novak, V.; Lukas, P.

    2008-01-01

    A neutron single crystal diffraction method for inspecting the quality of martensite single crystals is introduced. True interface-free martensite single crystals are indispensable for, e.g. measurement of elastic constants of phases by ultrasonic techniques. The neutron diffraction method was used to detect and distinguish the presence of individual lattice correspondence variants of the 2H orthorhombic martensite phase in Cu-Al-Ni as well as to follow the activity of twinning processes during the deformation test on the martensite variant single crystals. When preparing the martensite single variant prism-shaped crystals by compression deformation method, typically a small fraction of second unwanted martensitic variant (compound twin) remains in the prism samples. Due to the very low stress (∼1 MPa) for the compound twinning in many shape memory alloys, it is quite difficult not only to deplete the martensite prisms of all internal interfaces but mainly to keep them in the martensite single variant state for a long time needed for further investigations

  10. Degenerate Ising model for atomistic simulation of crystal-melt interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Schebarchov, D., E-mail: Dmitri.Schebarchov@gmail.com [University Chemical Laboratories, Lensfield Road, Cambridge CB2 1EW (United Kingdom); Schulze, T. P., E-mail: schulze@math.utk.edu [Department of Mathematics, University of Tennessee, Knoxville, Tennessee 37996-1300 (United States); Hendy, S. C. [The MacDiarmid Institute for Advanced Materials and Nanotechnology, School of Chemical and Physical Sciences, Victoria University of Wellington, Wellington 6140 (New Zealand); Department of Physics, University of Auckland, Auckland 1010 (New Zealand)

    2014-02-21

    One of the simplest microscopic models for a thermally driven first-order phase transition is an Ising-type lattice system with nearest-neighbour interactions, an external field, and a degeneracy parameter. The underlying lattice and the interaction coupling constant control the anisotropic energy of the phase boundary, the field strength represents the bulk latent heat, and the degeneracy quantifies the difference in communal entropy between the two phases. We simulate the (stochastic) evolution of this minimal model by applying rejection-free canonical and microcanonical Monte Carlo algorithms, and we obtain caloric curves and heat capacity plots for square (2D) and face-centred cubic (3D) lattices with periodic boundary conditions. Since the model admits precise adjustment of bulk latent heat and communal entropy, neither of which affect the interface properties, we are able to tune the crystal nucleation barriers at a fixed degree of undercooling and verify a dimension-dependent scaling expected from classical nucleation theory. We also analyse the equilibrium crystal-melt coexistence in the microcanonical ensemble, where we detect negative heat capacities and find that this phenomenon is more pronounced when the interface is the dominant contributor to the total entropy. The negative branch of the heat capacity appears smooth only when the equilibrium interface-area-to-volume ratio is not constant but varies smoothly with the excitation energy. Finally, we simulate microcanonical crystal nucleation and subsequent relaxation to an equilibrium Wulff shape, demonstrating the model's utility in tracking crystal-melt interfaces at the atomistic level.

  11. Degenerate Ising model for atomistic simulation of crystal-melt interfaces

    International Nuclear Information System (INIS)

    Schebarchov, D.; Schulze, T. P.; Hendy, S. C.

    2014-01-01

    One of the simplest microscopic models for a thermally driven first-order phase transition is an Ising-type lattice system with nearest-neighbour interactions, an external field, and a degeneracy parameter. The underlying lattice and the interaction coupling constant control the anisotropic energy of the phase boundary, the field strength represents the bulk latent heat, and the degeneracy quantifies the difference in communal entropy between the two phases. We simulate the (stochastic) evolution of this minimal model by applying rejection-free canonical and microcanonical Monte Carlo algorithms, and we obtain caloric curves and heat capacity plots for square (2D) and face-centred cubic (3D) lattices with periodic boundary conditions. Since the model admits precise adjustment of bulk latent heat and communal entropy, neither of which affect the interface properties, we are able to tune the crystal nucleation barriers at a fixed degree of undercooling and verify a dimension-dependent scaling expected from classical nucleation theory. We also analyse the equilibrium crystal-melt coexistence in the microcanonical ensemble, where we detect negative heat capacities and find that this phenomenon is more pronounced when the interface is the dominant contributor to the total entropy. The negative branch of the heat capacity appears smooth only when the equilibrium interface-area-to-volume ratio is not constant but varies smoothly with the excitation energy. Finally, we simulate microcanonical crystal nucleation and subsequent relaxation to an equilibrium Wulff shape, demonstrating the model's utility in tracking crystal-melt interfaces at the atomistic level

  12. Dual curved photonic crystal ring resonator based channel drop filter using two-dimensional photonic crystal structure

    Energy Technology Data Exchange (ETDEWEB)

    Chhipa, Mayur Kumar, E-mail: mayurchhipa1@gmail.com [Deptt. of Electronics and Communication Engineering, Government Engineering College Ajmer Rajasthan INDIA (India); Dusad, Lalit Kumar [Rajasthan Technical University Kota, Rajasthan (India)

    2016-05-06

    In this paper channel drop filter (CDF) is designed using dual curved photonic crystal ring resonator (PCRR). The photonic band gap (PBG) is calculated by plane wave expansion (PWE) method and the photonic crystal (PhC) based on two dimensional (2D) square lattice periodic arrays of silicon (Si) rods in air structure have been investigated using finite difference time domain (FDTD) method. The number of rods in Z and X directions is 21 and 20 respectively with lattice constant 0.540 nm and rod radius r = 0.1 µm. The channel drop filter has been optimized for telecommunication wavelengths λ = 1.591 µm with refractive indices 3.533. In the designed structure further analysis is also done by changing whole rods refractive index and it has been observed that this filter may be used for filtering several other channels also. The designed structure is useful for CWDM systems. This device may serve as a key component in photonic integrated circuits. The device is ultra compact with the overall size around 123 µm{sup 2}.

  13. Direct measurements of multi-photon induced nonlinear lattice dynamics in semiconductors via time-resolved x-ray scattering.

    Science.gov (United States)

    Williams, G Jackson; Lee, Sooheyong; Walko, Donald A; Watson, Michael A; Jo, Wonhuyk; Lee, Dong Ryeol; Landahl, Eric C

    2016-12-22

    Nonlinear optical phenomena in semiconductors present several fundamental problems in modern optics that are of great importance for the development of optoelectronic devices. In particular, the details of photo-induced lattice dynamics at early time-scales prior to carrier recombination remain poorly understood. We demonstrate the first integrated measurements of both optical and structural, material-dependent quantities while also inferring the bulk impulsive strain profile by using high spatial-resolution time-resolved x-ray scattering (TRXS) on bulk crystalline gallium arsenide. Our findings reveal distinctive laser-fluence dependent crystal lattice responses, which are not described by previous TRXS experiments or models. The initial linear expansion of the crystal upon laser excitation stagnates at a laser fluence corresponding to the saturation of the free carrier density before resuming expansion in a third regime at higher fluences where two-photon absorption becomes dominant. Our interpretations of the lattice dynamics as nonlinear optical effects are confirmed by numerical simulations and by additional measurements in an n-type semiconductor that allows higher-order nonlinear optical processes to be directly observed as modulations of x-ray diffraction lineshapes.

  14. Pair Interaction of Dislocations in Two-Dimensional Crystals

    Science.gov (United States)

    Eisenmann, C.; Gasser, U.; Keim, P.; Maret, G.; von Grünberg, H. H.

    2005-10-01

    The pair interaction between crystal dislocations is systematically explored by analyzing particle trajectories of two-dimensional colloidal crystals measured by video microscopy. The resulting pair energies are compared to Monte Carlo data and to predictions derived from the standard Hamiltonian of the elastic theory of dislocations. Good agreement is found with respect to the distance and temperature dependence of the interaction potential, but not regarding the angle dependence where discrete lattice effects become important. Our results on the whole confirm that the dislocation Hamiltonian allows a quantitative understanding of the formation and interaction energies of dislocations in two-dimensional crystals.

  15. Lattice-induced nonadiabatic frequency shifts in optical lattice clocks

    International Nuclear Information System (INIS)

    Beloy, K.

    2010-01-01

    We consider the frequency shift in optical lattice clocks which arises from the coupling of the electronic motion to the atomic motion within the lattice. For the simplest of three-dimensional lattice geometries this coupling is shown to affect only clocks based on blue-detuned lattices. We have estimated the size of this shift for the prospective strontium lattice clock operating at the 390-nm blue-detuned magic wavelength. The resulting fractional frequency shift is found to be on the order of 10 -18 and is largely overshadowed by the electric quadrupole shift. For lattice clocks based on more complex geometries or other atomic systems, this shift could potentially be a limiting factor in clock accuracy.

  16. Dispersive photonic crystals from the plane wave method

    Energy Technology Data Exchange (ETDEWEB)

    Guevara-Cabrera, E.; Palomino-Ovando, M.A. [Facultad de Ciencias Físico Matemáticas, Benemérita Universidad Autónoma de Puebla, Apdo. Post. 165, Puebla, Pue. 72000, México (Mexico); Flores-Desirena, B., E-mail: bflores@fcfm.buap.mx [Facultad de Ciencias Físico Matemáticas, Benemérita Universidad Autónoma de Puebla, Apdo. Post. 165, Puebla, Pue. 72000, México (Mexico); Gaspar-Armenta, J.A. [Departamento de Investigación en Física de la Universidad de Sonora Apdo, Post 5-088, Hermosillo Sonora 83190, México (Mexico)

    2016-03-01

    Nowadays photonic crystals are widely used in many different applications. One of the most used methods to compute their band structure is the plane wave method (PWM). However, it can only be applied directly to non-dispersive media and be extended to systems with a few model dielectric functions. We explore an extension of the PWM to photonic crystals containing dispersive materials, that solves an eigenvalue equation for the Bloch wave vectors. First we compare our calculation with analytical results for one dimensional photonic crystals containing Si using experimental values of its optical parameters, and obtainig very well agreement, even for the spectrum region with strong absorption. Then, using the same method, we computed the band structure for a two dimensional photonic crystal without absorption, formed by an square array of MgO cylinders in air. The optical parameters for MgO were modeled with the Lorentz dielectric function. Finally, we studied an array of MgO cylinders in a metal, using Drude model without absorption, for the metal dielectric function. For this last case, we study the gap–midgap ratio as a function of the filling fraction for both the square and triangular lattice. The gap–midgap ratio is larger for the triangular lattice, with a maximum value of 10% for a filling fraction of 0.6. Our results show that the method can be applied to dispersive materials, and then to a wide range of applications where photonic crystals can be used.

  17. A unified picture of the crystal structures of metals

    Science.gov (United States)

    Söderlind, Per; Eriksson, Olle; Johansson, Börje; Wills, J. M.; Boring, A. M.

    1995-04-01

    THE crystal structures of the light actinides have intrigued physicists and chemists for several decades1. Simple metals and transition metals have close-packed, high-symmetry structures, such as body-centred cubic, face-centred cubic and hexagonal close packing. In contrast, the structures of the light actinides are very loosely packed and of low symmetry-tetragonal, orthorhombic and monoclinic. To understand these differences, we have performed total-energy calculations, as a function of volume, for both high-and low-symmetry structures of a simple metal (aluminium), a non-magnetic transition metal (niobium), a ferromagnetic transition metal (iron) and a light actinide (uranium). We find that the crystal structure of all of these metals is determined by the balance between electrostatic (Madelung) interactions, which favour high symmetry, and a Peierls distortion of the crystal lattice, which favours low symmetry. We show that simple metals and transition metals can adopt low-symmetry structures on expansion of the lattice; and we predict that, conversely, the light actinides will undergo transitions to structures of higher symmetry on compression.

  18. A unified picture of the crystal structures of metals

    International Nuclear Information System (INIS)

    Soederlind, P.; Eriksson, O.; Johansson, B.; Wills, J.M.; Boring, A.M.

    1995-01-01

    The crystal structures of the light actinides have intrigued physicists and chemists for several decades. Simple metals and transition metals have close-packed, high-symmetry structures, such as body-centred cubic, face-centred cubic hexagonal close packing. In contrast, the structures of the light actinides are very loosely packed and of low symmetry -tetragonal, orthorhombic and monoclinic. To understand these differences, we have have performed total-energy calculations, as a function of volume, for both high- and low-symmetry structures of a simple metal (aluminium), a non-magnetic transition metal (niobium), a ferromagnetic transition metal (iron) and a light actinide (uranium). We find that the crystal structure of all these metals is determined by the balance between electrostatic (Madelung) interactions, which favour high symmetry, and a Peierls distortion of the crystal lattice, which favours low symmetry. We show that simple metals and transition metals can adopt low-symmetry structures on expansion of the lattice; and we predict that, conversely, the light actinides will undergo transitions to structures of higher symmetry on compression. (author)

  19. Synthesis and structural characterization of Na 2 MnP 2 O 7 crystal

    Indian Academy of Sciences (India)

    Na2MnP2O7 crystals were synthesized by hydrothermal technique. Crystals obtained are in the form of single crystals of rhombohedral morphology with lattice parameters as follows: triclinic, 1 ¯ , = 0.71069 Å, = 6.657(3) Å, = 6.714(6) Å, = 6.518(4) Å, = 112.31(6)°, = 92.14(4)°, = 83.89(5)°, = 268.0(3) Å3, ...

  20. Crystal growth and mechanical hardness of In{sub 2}Se{sub 2.7}Sb{sub 0.3} single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Patel, Piyush, E-mail: piyush-patel130@yahoo.com; Vyas, S. M., E-mail: s-m-vyas-gu@hotmail.com; Patel, Vimal; Pavagadhi, Himanshu [Department of Physics, School of Science, Gujarat University, Ahmedabad, Gujarat, India-380009 (India); Solanki, Mitesh [panditdindayal Petroleum University, Gandhinagar. Gujarat (India); Jani, Maunik P. [BITS Edu Campus, Varnama, Vadodara, Gujarat (India)

    2015-08-28

    The III-VI compound semiconductors is important for the fabrication of ionizing radiation detectors, solid-state electrodes, and photosensitive heterostructures, solar cell and ionic batteries. In this paper, In{sub 2}Se{sub 2.7} Sb{sub 0.3} single crystals were grown by the Bridgman method with temperature gradient of 60 °C/cm and the growth velocity 0.5cm/hr. The as-grown crystals were examined under the optical microscope for surface study, a various growth features observed on top free surface of the single crystal which is predominant of layers growth mechanism. The lattice parameters of as-grown crystal was determined by the XRD analysis. A Vickers’ projection microscope were used for the study of microhardness on the as-cleaved, cold-worked and annealed samples of the crystals, the results were discussed, and reported in detail.

  1. Resonant Coulomb excitation of atomic nuclei propagating through a crystal in the channeling mode

    International Nuclear Information System (INIS)

    Stepanov, A.V.

    1996-01-01

    The Coulomb-excitation total cross section and the distribution of decay products originating from a resonant state of a nucleus interacting with a crystal lattice has been calculated for the case of a single inelastic collision (with respect to internal degrees of freedom in a nucleus). These observables have been expressed in terms of time-dependent correlators which describe thermal oscillations of lattice nuclei and the motion of the center of mass of a nucleus propagating across a crystal target in the channelling mode. An expression generalizing the spectrum of equivalent photons calculated by the Weizsaecker-Williams method is given

  2. Photonic Crystal Polarizing and Non-Polarizing Beam Splitters

    International Nuclear Information System (INIS)

    Chun-Ying, Guan; Jin-Hui, Shi; Li-Boo, Yuan

    2008-01-01

    A polarizing beam splitter (PBS) and a non-polarizing beam splitter (NPBS) based on a photonic crystal (PC) directional coupler are demonstrated. The photonic crystal directional coupler consists of a hexagonal lattice of dielectric pillars in air and has a complete photonic band gap. The photonic band structure and the band gap map are calculated using the plane wave expansion (PWE) method. The splitting properties of the splitter are investigated numerically using the finite difference time domain (FDTD) method

  3. Single crystals of the anisotropic Kagome staircase compounds Ni3V2O8 and Co3V2O8

    OpenAIRE

    Balakrishnan, G.; Petrenko, O. A.; Lees, M. R.; Paul, D. McK.

    2004-01-01

    Compounds with a Kagome type lattice are known to exhibit magnetic frustration. Large single crystals of two compounds Ni3V2O8 and Co3V2O8, which are variants of a Kagome net lattice, have been grown successfully by the floating zone technique using an optical image furnace. The single crystals are of high quality and exhibit intriguing magnetic properties.

  4. A more clear insight of the lysozyme crystal composition

    Energy Technology Data Exchange (ETDEWEB)

    Mueller, C.; Ulrich, J. [Martin-Luther-Universitaet Halle-Wittenberg, Zentrum fuer Ingenieurswissenschaften, Verfahrenstechnik/TVT, 06099 Halle Saale (Germany)

    2011-07-15

    Crystallization can be used as a purification method for proteins. Lysozyme was chosen as a model substance. Changing crystallization conditions will lead as shown to different lysozyme crystal morphologies with different properties. Beside others, lysozyme crystals can show a Tetragonal, High Temperature and Low Temperature Orthorhombic crystal morphology. Experiments such as conductivity measurements, pH tests, chloride detection tests, experiments using methylene blue as a dye and dissolution experiments were carried out to investigate the composition of the lysozyme crystals. It is proven that lysozyme crystals are made up of the initial buffer solution components: lysozyme (the protein), water which is part of the crystal lattice, salt ions which are attached to the protein molecule and voids filled with the buffer solution containing the crystallization agent (e.g. salt). Interesting dissolution behaviours of the lysozyme crystals were observed which are not described so far elsewhere (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  5. Single Crystals Grown Under Unconstrained Conditions

    Science.gov (United States)

    Sunagawa, Ichiro

    Based on detailed investigations on morphology (evolution and variation in external forms), surface microtopography of crystal faces (spirals and etch figures), internal morphology (growth sectors, growth banding and associated impurity partitioning) and perfection (dislocations and other lattice defects) in single crystals, we can deduce how and by what mechanism the crystal grew and experienced fluctuation in growth parameters through its growth and post-growth history under unconstrained condition. The information is useful not only in finding appropriate way to growing highly perfect and homogeneous single crystals, but also in deciphering letters sent from the depth of the Earth and the Space. It is also useful in discriminating synthetic from natural gemstones. In this chapter, available methods to obtain molecular information are briefly summarized, and actual examples to demonstrate the importance of this type of investigations are selected from both natural minerals (diamond, quartz, hematite, corundum, beryl, phlogopite) and synthetic crystals (SiC, diamond, corundum, beryl).

  6. Ultrastructural studies of synthetic apatite crystals.

    Science.gov (United States)

    Arends, J; Jongebloed, W L

    1979-03-01

    In this paper a survey is given of some ultrastructural properties of synthetic hydroxyapatite. The preparation method by which single crystals with a length in the range of 0.1-3.0mm and a defined purity and stoïchiometry can be produced is given. Two groups of materials are considered in detail: carbonate-rich (greater than 0.1% CO3) and low-carbonate hydroxyapatites. The experiments on carbonate-rich material, being the most interesting from a biological point of view, show that acids attack at an active site in the hexagonal basal-plane of the crystals. Later on the crystals dissolve in the center of the crystal parallel to the c-axis forming tube-like structures. The active site can be protected from dissolution if the crystals are pretreated by EHDP or MFP. A comparison with lattice defect theory shows that most likely dislocations of the "hollow-core" type are responsible for the preferential dissolution.

  7. Three-dimensional Random Voronoi Tessellations: From Cubic Crystal Lattices to Poisson Point Processes

    OpenAIRE

    Lucarini, Valerio

    2008-01-01

    We perturb the SC, BCC, and FCC crystal structures with a spatial Gaussian noise whose adimensional strength is controlled by the parameter a, and analyze the topological and metrical properties of the resulting Voronoi Tessellations (VT). The topological properties of the VT of the SC and FCC crystals are unstable with respect to the introduction of noise, because the corresponding polyhedra are geometrically degenerate, whereas the tessellation of the BCC crystal is topologically stable eve...

  8. Plastic deformation of tubular crystals by dislocation glide.

    Science.gov (United States)

    Beller, Daniel A; Nelson, David R

    2016-09-01

    Tubular crystals, two-dimensional lattices wrapped into cylindrical topologies, arise in many contexts, including botany and biofilaments, and in physical systems such as carbon nanotubes. The geometrical principles of botanical phyllotaxis, describing the spiral packings on cylinders commonly found in nature, have found application in all these systems. Several recent studies have examined defects in tubular crystals associated with crystalline packings that must accommodate a fixed tube radius. Here we study the mechanics of tubular crystals with variable tube radius, with dislocations interposed between regions of different phyllotactic packings. Unbinding and separation of dislocation pairs with equal and opposite Burgers vectors allow the growth of one phyllotactic domain at the expense of another. In particular, glide separation of dislocations offers a low-energy mode for plastic deformations of solid tubes in response to external stresses, reconfiguring the lattice step by step. Through theory and simulation, we examine how the tube's radius and helicity affects, and is in turn altered by, the mechanics of dislocation glide. We also discuss how a sufficiently strong bending rigidity can alter or arrest the deformations of tubes with small radii.

  9. New vacancy source in ultrahigh-purity aluminium single crystals with a low dislocation density

    Energy Technology Data Exchange (ETDEWEB)

    Mizuno, Kaoru; Yamamoto, Satoshi [Shimane Univ., Faculty of Science and Engineering, Matsue, Shimane (Japan); Morikawa, Kimihiko [Hokkaido Univ., Institute for Low Temperature Science, Sapporo, Hokkaido (Japan); Kuga, Masanori [Kanazawa Univ., Faculty of Science, Kanazawa, Ishikawa (Japan); Okamoto, Hiroyuki [Kanazawa Univ., Faculty of Medicine, Kanazawa, Ishikawa (Japan); Hashimoto, Eiji [Hiroshima Univ., Hiroshima Synchrotron Radiation Center, Higashi-Hiroshima, Hiroshima (Japan)

    2004-05-01

    The vacancy generation process in ultrahigh-purity aluminum single crystals with a low dislocation density was investigated by synchrotron radiation topography using a white X-ray beam. Some straight lines were observed in the topographys taken after temperature rose to 300degC from room temperature, and they were confirmed to be rows of successive small interstitial-type dislocation loops grown as vacancy sources. It was concluded that the thermal generation mechanism of vacancies in ultrahigh-purity aluminum single crystals with a low dislocation density consists of the following two steps. First, small interstitial loops are heterogeneously formed in the crystal lattice; second, these convert to lengthened loops with the development of screw components and finally grow into rows of dislocation loops emitting vacancies into the lattice. (author)

  10. New vacancy source in ultrahigh-purity aluminium single crystals with a low dislocation density

    International Nuclear Information System (INIS)

    Mizuno, Kaoru; Yamamoto, Satoshi; Morikawa, Kimihiko; Kuga, Masanori; Okamoto, Hiroyuki; Hashimoto, Eiji

    2004-01-01

    The vacancy generation process in ultrahigh-purity aluminum single crystals with a low dislocation density was investigated by synchrotron radiation topography using a white X-ray beam. Some straight lines were observed in the topographys taken after temperature rose to 300degC from room temperature, and they were confirmed to be rows of successive small interstitial-type dislocation loops grown as vacancy sources. It was concluded that the thermal generation mechanism of vacancies in ultrahigh-purity aluminum single crystals with a low dislocation density consists of the following two steps. First, small interstitial loops are heterogeneously formed in the crystal lattice; second, these convert to lengthened loops with the development of screw components and finally grow into rows of dislocation loops emitting vacancies into the lattice. (author)

  11. Lattice strings

    International Nuclear Information System (INIS)

    Thorn, C.B.

    1988-01-01

    The possibility of studying non-perturbative effects in string theory using a world sheet lattice is discussed. The light-cone lattice string model of Giles and Thorn is studied numerically to assess the accuracy of ''coarse lattice'' approximations. For free strings a 5 by 15 lattice seems sufficient to obtain better than 10% accuracy for the bosonic string tachyon mass squared. In addition a crude lattice model simulating string like interactions is studied to find out how easily a coarse lattice calculation can pick out effects such as bound states which would qualitatively alter the spectrum of the free theory. The role of the critical dimension in obtaining a finite continuum limit is discussed. Instead of the ''gaussian'' lattice model one could use one of the vertex models, whose continuum limit is the same as a gaussian model on a torus of any radius. Indeed, any critical 2 dimensional statistical system will have a stringy continuum limit in the absence of string interactions. 8 refs., 1 fig. , 9 tabs

  12. Effect of crystal structure on optical properties of sol–gel derived zirconia thin films

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xiaodong, E-mail: xiaodong_wang@tongji.edu.cn [Pohl Institute of Solid State Physics, Shanghai Key Laboratory of Special Artificial Microstructure Materials and Technology, Tongji University, Shanghai 200092 (China); Wu, Guangming; Zhou, Bin [Pohl Institute of Solid State Physics, Shanghai Key Laboratory of Special Artificial Microstructure Materials and Technology, Tongji University, Shanghai 200092 (China); Shen, Jun, E-mail: shenjun67@tongji.edu.cn [Pohl Institute of Solid State Physics, Shanghai Key Laboratory of Special Artificial Microstructure Materials and Technology, Tongji University, Shanghai 200092 (China)

    2013-04-15

    Highlights: ► ZrO{sub 2} films were deposited by sol–gel method. ► Crystal structures of the films were tuned by different thermal annealing methods. ► The refractive indices vary with the crystal structures of the films. ► Lattice-mismatch was found to reduce the refractive index of ZrO{sub 2} films. -- Abstract: The optical properties of sol–gel derived zirconia thin films and their relation to the crystal structure are studied in this paper. ZrO{sub 2} films were deposited on quartz glass and silicon wafer substrates by sol–gel method with conventional furnace annealing (CFA) and rapid thermal annealing (RTA). Crystal structures of the films were analyzed by X-ray diffraction (XRD) and Raman spectroscopy, while refractive indices of the films were determined from the reflectance and transmittance spectra. The refractive indices vary with the function of crystal structure and density of the films, which depends on annealing temperature and annealing technique. Lattice-mismatch between monoclinic phase and tetragonal phase was found to reduce the refractive index of ZrO{sub 2} films.

  13. Lattice location of Mn in GaAs and GaN

    CERN Document Server

    De Coster, Arnaud; Vantomme, André; Temst, Kristiaan

    The field of dilute magnetic semiconductors (DMS) has seen a lot of development in the past decades, both from a fundamental interest in the linkage of magnetic and conducting properties and with an eye to potential applications in computer technology. While the presence of semiconducting properties and magnetism in a given material is not out of the ordinary, DMS materials stand out because the charge carriers actually mediate between magnetic moments in the lattice, causing the ferromagnetic ordering. These magnetic moments and charge carriers are supplied by transition-metal (TM) dopants in a classic semiconductor. The location where these dopants are incorporated will determine if they will act as either an acceptor or donor and how they will couple to other magnetic moments. Hence, in order to achieve a better understanding of DMS, accurate knowledge of the lattice location the TM takes up in the crystal is vital. In this thesis the lattice location of Mn in GaAs and GaN is studied, two model materials f...

  14. X-ray three beam cases and the influence of lattice defects

    International Nuclear Information System (INIS)

    Scherz, W.; Hildebrandt, G.

    1981-01-01

    The three beam cases (111 anti 111; 200) (Case I) and (111, anti 1anti 11; 220) (Case II) in germanium were examined with CuKα 1 radiation from a bent quartz monochromator crystal. For the intensity relation Isub(O)/(Isub(L) + Isub(M)), excellent agreement with precious measurements (Uebach) resulted for Case I; small deviations from a calculated value could be explained by theoretical arguments, considering the crystal as slightly imperfect. In Case II, which reacted more sensitively upon lattice defects, these deviations were much larger and in an unexpexted direction. A first attempt of a 'Three Beam Lang Topography' is reported. (orig.)

  15. Introduction of a leucine half-zipper engenders multiple high-quality crystals of a recalcitrant tRNA synthetase

    International Nuclear Information System (INIS)

    Guo, Min; Shapiro, Ryan; Schimmel, Paul; Yang, Xiang-Lei

    2010-01-01

    E. coli alanyl-tRNA synthetase is recalcitrant to crystallization. A group of leucine substitutions has transformed the protein. Although Escherichia coli alanyl-tRNA synthetase was among the first tRNA synthetases to be sequenced and extensively studied by functional analysis, it has proved to be recalcitrant to crystallization. This challenge remained even for crystallization of the catalytic fragment. By mutationally introducing three stacked leucines onto the solvent-exposed side of an α-helix, an engineered catalytic fragment of the synthetase was obtained that yielded multiple high-quality crystals and cocrystals with different ligands. The engineered α-helix did not form a leucine zipper that interlocked with the same α-helix from another molecule. Instead, using the created hydrophobic spine, it interacted with other surfaces of the protein as a leucine half-zipper (LHZ) to enhance the crystal lattice interactions. The LHZ made crystal lattice contacts in all crystals of different space groups. These results illustrate the power of introducing an LHZ into helices to facilitate crystallization. The authors propose that the method can be unified with surface-entropy reduction and can be broadly used for protein-surface optimization in crystallization

  16. Hydrogen-Bonding Interactions in Luminescent Quinoline-Triazoles with Dominant 1D Crystals

    Directory of Open Access Journals (Sweden)

    Shi-Qiang Bai

    2017-09-01

    Full Text Available Quinoline-triazoles 2-((4-(diethoxymethyl-1H-1,2,3-triazol-1-ylmethylquinoline (1, 2-((4-(m-tolyl-1H-1,2,3-triazol-1-ylmethylquinoline (2 and 2-((4-(p-tolyl-1H-1,2,3-triazol-1-ylmethylquinoline (3 have been prepared with CuAAC click reactions and used as a model series to probe the relationship between lattice H-bonding interaction and crystal direction of growth. Crystals of 1–3 are 1D tape and prism shapes that correlate with their intermolecular and solvent 1D lattice H-bonding interactions. All compounds were thermally stable up to about 200 C and blue-green emissive in solution.

  17. Plasticity size effects in voided crystals

    DEFF Research Database (Denmark)

    Hussein, M. I.; Borg, Ulrik; Niordson, Christian Frithiof

    singularities in an elastic material. The lattice resistance to dislocation motion, dislocation nucleation, dislocation interaction with obstacles and annihilation are incorporated through a set of constitutive rules. Over the range of length scales investigated, both the discrete dislocation and strain......The shear and equi-biaxial straining responses of periodic voided single crystals are analysed using discrete dislocation plasticity and a continuum strain gradient crystal plasticity theory. In the discrete dislocation formulation the dislocations are all of edge character and are modelled as line...... predictions of the two formulations for all crystal types and void volume fractions considered when the material length scale in the non-local plasticity model chosen to be $0.325\\mu m$ (around ten times the slip plane spacing in the discrete dislocation models)....

  18. Plasticity size effects in voided crystals

    DEFF Research Database (Denmark)

    Hussein, M.I.; Borg, Ulrik; Niordson, Christian Frithiof

    2008-01-01

    as line singularities in an elastic material. The lattice resistance to dislocation motion, dislocation nucleation, dislocation interaction with obstacles and annihilation are incorporated through a set of constitutive rules. Over the range of length scales investigated, both the discrete dislocation......The shear and equi-biaxial straining responses of periodic voided single crystals are analysed using discrete dislocation plasticity and a continuum strain gradient crystal plasticity theory. In the discrete dislocation formulation, the dislocations are all of edge character and are modelled...... between predictions of the two formulations for all crystal types and void volume fractions considered when the material length scale in the non-local plasticity model is chosen to be 0.325 mu m (about 10 times the slip plane spacing in the discrete dislocation models)....

  19. Anomalous transparency in photonic crystals and its application to point-by-point grating inscription in photonic crystal fibers.

    Science.gov (United States)

    Baghdasaryan, Tigran; Geernaert, Thomas; Chah, Karima; Caucheteur, Christophe; Schuster, Kay; Kobelke, Jens; Thienpont, Hugo; Berghmans, Francis

    2018-04-03

    It is common belief that photonic crystals behave similarly to isotropic and transparent media only when their feature sizes are much smaller than the wavelength of light. Here, we counter that belief and we report on photonic crystals that are transparent for anomalously high normalized frequencies up to 0.9, where the crystal's feature sizes are comparable with the free space wavelength. Using traditional photonic band theory, we demonstrate that the isofrequency curves can be circular in the region above the first stop band for triangular lattice photonic crystals. In addition, by simulating how efficiently a tightly focused Gaussian beam propagates through the photonic crystal slab, we judge on the photonic crystal's transparency rather than on isotropy only. Using this approach, we identified a wide range of photonic crystal parameters that provide anomalous transparency. Our findings indicate the possibility to scale up the features of photonic crystals and to extend their operational wavelength range for applications including optical cloaking and graded index guiding. We applied our result in the domain of femtosecond laser micromachining, by demonstrating what we believe to be the first point-by-point grating inscribed in a multi-ring photonic crystal fiber.

  20. Commensurability oscillations in NdBa2Cu3Oy single crystals

    Indian Academy of Sciences (India)

    gated by angular dependent magnetization in very pure twinned and twin-free NdBa2 Cu3 Oy single ... The layered structure and the c-axis coherence length, ξc ≈ 4 ˚A, smaller than the lattice ... The high quality of both crystals is demonstrated by ... Commensurability oscillations in NdBa2Cu3Oy single crystals. 2. 3. 4. 5. 6.

  1. Disorder in Protein Crystals.

    Science.gov (United States)

    Clarage, James Braun, II

    1990-01-01

    Methods have been developed for analyzing the diffuse x-ray scattering in the halos about a crystal's Bragg reflections as a means of determining correlations in atomic displacements in protein crystals. The diffuse intensity distribution for rhombohedral insulin, tetragonal lysozyme, and triclinic lysozyme crystals was best simulated in terms of exponential displacement correlation functions. About 90% of the disorder can be accounted for by internal movements correlated with a decay distance of about 6A; the remaining 10% corresponds to intermolecular movements that decay in a distance the order of size of the protein molecule. The results demonstrate that protein crystals fit into neither the Einstein nor the Debye paradigms for thermally fluctuating crystalline solids. Unlike the Einstein model, there are correlations in the atomic displacements, but these correlations decay more steeply with distance than predicted by the Debye-Waller model for an elastic solid. The observed displacement correlations are liquid -like in the sense that they decay exponentially with the distance between atoms, just as positional correlations in a liquid. This liquid-like disorder is similar to the disorder observed in 2-D crystals of polystyrene latex spheres, and similar systems where repulsive interactions dominate; hence, these colloidal crystals appear to provide a better analogy for the dynamics of protein crystals than perfectly elastic lattices.

  2. Melting of the Abrikosov flux lattice in anisotropic superconductors

    Science.gov (United States)

    Beck, R. G.; Farrell, D. E.; Rice, J. P.; Ginsberg, D. M.; Kogan, V. G.

    1992-01-01

    It has been proposed that the Abrikosov flux lattice in high-Tc superconductors is melted over a significant fraction of the phase diagram. A thermodynamic argument is provided which establishes that the angular dependence of the melting temperature is controlled by the superconducting mass anisotropy. Using a low-frequency torsional-oscillator technique, this relationship has been tested in untwinned single-crystal YBa2Cu3O(7-delta). The results offer decisive support for the melting proposal.

  3. Waveguiding in supported phononic crystal plates

    International Nuclear Information System (INIS)

    Vasseur, J; Hladky-Hennion, A-C; Deymier, P; Djafari-Rouhani, B; Duval, F; Dubus, B; Pennec, Y

    2007-01-01

    We investigate, with the help of the finite element method, the existence of absolute band gaps in the band structure of a free-standing phononic crystal plate and of a phononic crystal slab deposited on a substrate. The two-dimensional phononic crystal is constituted by a square array of holes drilled in an active piezoelectric (PZT5A or AlN) matrix. For both matrix materials, an absolute band gap occurs in the band structure of the free-standing plate provided the thickness of the plate is on the order of magnitude of the lattice parameter. When the plate is deposited on a Si substrate, the absolute band gap still remains when the matrix of the phononic crystal is made of PZT5A. The AlN phononic crystal plate losses its gap when supported by the Si substrate. In the case of the PZT5A matrix, we also study the possibility of localized modes associated with a linear defect created by removing one row of air holes in the deposited phononic crystal plate

  4. Temperature- and pressure-dependent lattice behaviour of RbFe(MoO4)(2)

    DEFF Research Database (Denmark)

    Waskowska, A.; Gerward, Leif; Olsen, J. S.

    2010-01-01

    Trigonal RbFe(MoO4)(2) is a quasi-two-dimensional antiferromagnet on a triangular lattice below T-N = 3.8 K, The crystal exhibits also a structural phase transition at T-c = 190 K related to symmetry change from Pm1 to P. We present the temperature-and pressure-dependent characteristics...

  5. Recent results of EPR and Moessbauer investigations on lattice dynamics in ammonium sulphate

    CERN Document Server

    Grecu, M N; Grecu, V V

    2003-01-01

    Recent results of the lattice dynamics investigation on ammonium sulfate are reported based on recent experiments carried out using using the non-destructive experimental technique of EPR and NGR. The main results confirm the presence and the contribution of a soft mode, which accompanied the paraferroelectric phase transition in the investigated crystal. (authors)

  6. Mixed spin-5/2 and spin-2 Ising ferrimagnetic system on the Bethe lattice

    Energy Technology Data Exchange (ETDEWEB)

    Masrour, R., E-mail: rachidmasrour@hotmail.com [Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, PB 63 46000, Safi (Morocco); Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014, Rabat (Morocco); Jabar, A. [Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014, Rabat (Morocco); Benyoussef, A. [Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014, Rabat (Morocco); Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Hassan II Academy of Science and Technology, Rabat (Morocco); Hamedoun, M. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco)

    2015-11-01

    The magnetic properties of spins-S and σ Ising model on the Bethe lattice have been investigated by using the Monte Carlo simulation. The thermal total magnetization and magnetization of spins S and σ with the different exchange interactions, different external magnetic field and different temperatures have been studied. The critical temperature and compensation temperature have been deduced. The magnetic hysteresis cycle of Ising ferrimagnetic system on the Bethe lattice has been deduced for different values of exchange interactions between the spins S and σ, for different values of crystal field and for different sizes. The magnetic coercive filed has been deduced. - Highlights: • The magnetic properties of Bethe lattice have been investigated. • The critical temperature and compensation temperature have been deduced. • The magnetic coercive filed has been deduced.

  7. Suppression of Raman electron spin relaxation of radicals in crystals. Comparison of Cu2+ and free radical relaxation in triglycine sulfate and Tutton salt single crystals.

    Science.gov (United States)

    Hoffmann, S K; Goslar, J; Lijewski, S

    2011-08-31

    Electron spin-lattice relaxation was measured by the electron spin echo method in a broad temperature range above 4.2 K for Cu(2+) ions and free radicals produced by ionizing radiation in triglycine sulfate (TGS) and Tutton salt (NH4)(2)Zn(SO4)2 ⋅ 6H2O crystals. Localization of the paramagnetic centres in the crystal unit cells was determined from continuous wave electron paramagnetic resonance spectra. Various spin relaxation processes and mechanisms are outlined. Cu(2+) ions relax fast via two-phonon Raman processes in both crystals involving the whole phonon spectrum of the host lattice. This relaxation is slightly slower for TGS where Cu(2+) ions are in the interstitial position. The ordinary Raman processes do not contribute to the radical relaxation which relaxes via the local phonon mode. The local mode lies within the acoustic phonon band for radicals in TGS but within the optical phonon range in (NH4)(2)Zn(SO4)2 ⋅ 6H2O. In the latter the cross-relaxation was considered. A lack of phonons around the radical molecules suggested a local crystal amorphisation produced by x- or γ-rays.

  8. Vortex lattice formation in 2D magnetized plasmas

    International Nuclear Information System (INIS)

    Kono, M.

    1998-01-01

    Formation or self-organization of coherent structures play a crucial role to the macroscopic properties of the system. Observations of long-lived ordered (crystallization) motion of well-defined vortices suggest that the relaxation to the ordered states may be described by introducing a point vortices. The structure of vortex lattice which is intimately related to the profile of the linear eigen function may be controlled by the unperturbed density profile. In experiments the density profile is rather sensitive to the plasma production. (M. Tanaka)

  9. Crystal structure and crystal growth of the polar ferrimagnet CaBaFe4O7

    Science.gov (United States)

    Perry, R. S.; Kurebayashi, H.; Gibbs, A.; Gutmann, M. J.

    2018-05-01

    Magnetic materials are a cornerstone for developing spintronic devices for the transport of information via magnetic excitations. To date, relatively few materials have been investigated for the purpose of spin transport, mostly due to the paucity of suitable candidates as these materials are often chemically complex and difficult to synthesize. We present the crystal growth and a structure solution on the high-temperature crystal structure of the layered, polar ferrimagnet CaBaFe4O7 , which is a possible new contender for spintronics research. The space group is identified as P 3 by refinement of single crystal and powder neutron diffraction data. At 400 K, the trigonal lattice parameters are a =11.0114 (11 )Å and c =10.330 (3 )Å . The structure is similar to the low-temperature phase with alternating layers of triangular and Kagome-arranged Fe-O tetrahedra. We also present details of the crystal growth by traveling solvent method.

  10. On the wavelength dependence of the reflectivity of one-dimensionally distorted crystals

    International Nuclear Information System (INIS)

    Guigay, J.P.

    1986-01-01

    Scaling properties of the integrated reflectivity of non-absorbing perfect or ideally imperfect crystals as a function of wavelength, in the symmetrical Laue and Bragg cases, are shown also to be valid for distorted crystals where the gradient of the lattice phase factor is perpendicular to the crystal surfaces. This result is obtained by an analysis of the Taupin-Takagi equations. Some previous experiments (test of a proposal for extinction-free measurements of F M /F N in polarized neutron scattering by magnetic crystals, and neutron diffraction from curved and non-curved crystals) are discussed from this point of view. (orig.)

  11. Two modifications of Y2Piv6(HPiv)6 crystals: synthesis and structures

    International Nuclear Information System (INIS)

    Kiseleva, E.A.; Troyanov, S.I.; Korenev, Yu.M.

    2006-01-01

    Crystal structure of solvate of yttrium pivalate YPiv 3 ·3HPiv is studied. Existing of two polymorphous modifications of the compound is detected. It is shown that α- and β-modifications of yttrium pivalate solvate have molecular crystal structures and are built of Y 2 Piv 6 (HPiv) 6 dimers. Difference of these two modifications is in package of dimer molecules and in center-symmetricity of dimers in α-modification structure. Molecular and crystal structure, crystal lattice parameters are determined [ru

  12. Lambda shifted photonic crystal cavity laser

    DEFF Research Database (Denmark)

    Schubert, Martin; Skovgård, Troels Suhr; Ek, Sara

    2010-01-01

    We propose and demonstrate an alternative type of photonic crystal laser design that shifts all the holes in the lattice by a fixed fraction of the targeted emission wavelength. The structures are realized in InGaAsP =1.15 with InGaAsP quantum wells =1.52 as gain material. Cavities with shifts of...

  13. Multiphysical simulation analysis of the dislocation structure in germanium single crystals

    Science.gov (United States)

    Podkopaev, O. I.; Artemyev, V. V.; Smirnov, A. D.; Mamedov, V. M.; Sid'ko, A. P.; Kalaev, V. V.; Kravtsova, E. D.; Shimanskii, A. F.

    2016-09-01

    To grow high-quality germanium crystals is one of the most important problems of growth industry. The dislocation density is an important parameter of the quality of single crystals. The dislocation densities in germanium crystals 100 mm in diameter, which have various shapes of the side surface and are grown by the Czochralski technique, are experimentally measured. The crystal growth is numerically simulated using heat-transfer and hydrodynamics models and the Alexander-Haasen dislocation model in terms of the CGSim software package. A comparison of the experimental and calculated dislocation densities shows that the dislocation model can be applied to study lattice defects in germanium crystals and to improve their quality.

  14. Electron paramagnetic resonance and optical spectroscopy of Yb sup 3 sup + ions in SrF sub 2 and BaF sub 2; an analysis of distortions of the crystal lattice near Yb sup 3 sup +

    CERN Document Server

    Falin, M L; Latypov, V A; Leushin, A M

    2003-01-01

    SrF sub 2 and BaF sub 2 crystals, doped with the Yb sup 3 sup + ions, have been investigated by electron paramagnetic resonance and optical spectroscopy. As-grown crystals of SrF sub 2 and BaF sub 2 show the two paramagnetic centres for the cubic (T sub c) and trigonal (T sub 4) symmetries of the Yb sup 3 sup + ions. Empirical diagrams of the energy levels were established and the potentials of the crystal field were determined. Information was obtained on the SrF sub 2 and BaF sub 2 phonon spectra from the electron-vibrational structure of the optical spectra. The crystal field parameters were used to analyse the crystal lattice distortions in the vicinity of the impurity ion and the F sup - ion compensating for the excess positive charge in T sub 4. Within the frames of a superposition model, it is shown that three F sup - ions from the nearest surrounding cube, located symmetrically with respect to the C sub 3 axis from the side of the ion-compensator, approach the impurity ion and cling to the axis of the...

  15. Photonic band gap engineering in 2D photonic crystals

    Indian Academy of Sciences (India)

    -dimensional photonic crystals with square lattices composed of air holes in dielectric and vice versa i.e., dielectric rods in air, using the plane-wave expansion method are investigated. We then study, how the photonic band gap size is ...

  16. Influence of strain gradients on lattice rotation in nano-indentation experiments: A numerical study

    KAUST Repository

    Demiral, Murat

    2014-07-01

    In this paper the texture evolution in nano-indentation experiments was investigated numerically. To achieve this, a three-dimensional implicit finite-element model incorporating a strain-gradient crystal-plasticity theory was developed to represent accurately the deformation of a body-centred cubic metallic material. A hardening model was implemented to account for strain hardening of the involved slip systems. The surface topography around indents in different crystallographic orientations was compared to corresponding lattice rotations. The influence of strain gradients on the prediction of lattice rotations in nano-indentation was critically assessed. © 2014 Elsevier B.V..

  17. Influence of strain gradients on lattice rotation in nano-indentation experiments: A numerical study

    KAUST Repository

    Demiral, Murat; Roy, Anish; El Sayed, Tamer S.; Silberschmidt, Vadim V.

    2014-01-01

    In this paper the texture evolution in nano-indentation experiments was investigated numerically. To achieve this, a three-dimensional implicit finite-element model incorporating a strain-gradient crystal-plasticity theory was developed to represent accurately the deformation of a body-centred cubic metallic material. A hardening model was implemented to account for strain hardening of the involved slip systems. The surface topography around indents in different crystallographic orientations was compared to corresponding lattice rotations. The influence of strain gradients on the prediction of lattice rotations in nano-indentation was critically assessed. © 2014 Elsevier B.V..

  18. Three's company: co-crystallization of a self-assembled S(4) metallacyclophane with two diastereomeric metallacycle intermediates.

    Science.gov (United States)

    Lindquist, Nathan R; Carter, Timothy G; Cangelosi, Virginia M; Zakharov, Lev N; Johnson, Darren W

    2010-05-28

    Three discrete supramolecular self-assembled arsenic(iii) complexes including an unusual S(4)-symmetric tetranuclear [As(4)L(2)Cl(4)] metallacyclophane and two diastereomeric cis/trans-[As(2)LCl(2)] metallacycle intermediates co-crystallize within a single crystal lattice.

  19. Quantum simulation and quantum information processing with molecular dipolar crystals

    International Nuclear Information System (INIS)

    Ortner, M.

    2011-01-01

    In this thesis interactions between dipolar crystals and neutral atoms or separated molecules have been investigated. They were motivated to realize new kinds of lattice models in mixtures of atoms and polar molecules where an MDC functions as an underlying periodic lattice structure for the second species. Such models bring out the peculiar features of MDC's, that include a controllable, potentially sub-optical wavelength periodicity and strong particle phonon interactions. Only stable collisional configurations have been investigated, excluding chemical reactions between the substituents, and crystal distortions beyond the scope of perturbation theory. The system was treated in the polaron picture where particles of the second species are dressed by surrounding crystal phonons. To describe the competition between coherent and incoherent dynamics of the polarons, a master equation in the Brownian motion limit was used with phonons treated as a thermal heat bath. It was shown analytically that in a wide range of realistic parameters the corrections to the coherent time evolution are small, and that the dynamics of the dressed particles can be described by an effective extended Hubbard model with controllable system parameters. The last chapter of this thesis contains a proposal for QIP with cold polar molecules that, in contrast to previous works, uses an MDC as a quantum register. It was motivated by the unique features of dipolar molecules and to exploit the peculiar physical conditions in dipolar crystals. In this proposal the molecular dipole moments were tailored by non-local fields to include a small, switchable, state-dependent dipole moment in addition to the large internal state independent moment that stabilizes the crystal. It was shown analytically that a controllable, non-trivial phonon-mediated interaction can be generated that exceeds non-trivial, direct dipole-dipole couplings. The addressability problem due to high crystal densities was overcome by

  20. Lattice location of implanted As in ZnO

    CERN Document Server

    Wahl, U; Correia, J G; Marques, A C; Alves, E; Soares, J C

    2007-01-01

    Radioactive 73As ions were implanted into a ZnO single crystal at room temperature with 60 keV up to a fluence of 2×1013 cm−2. Subsequently, the angular emission channeling patterns of emitted conversion electrons were recorded by means of a position-sensitive detector in the as-implanted state and following annealing up to 900 C, and were compared to simulated emission yields for a variety of different lattice sites. We find that As does not occupy substitutional O sites, but mainly occupies the substitutional Zn sites. The fraction of As on O sites was at most a few per cent. Arsenic in ZnO is thus an interesting example of an impurity in a semiconductor where the major impurity lattice site is determined by atomic size and electronegativity rather than its position in the periodic system. Possible consequences with respect to the role of arsenic as a p-type dopant in ZnO are being discussed.

  1. Many-body formation and dissociation of a dipolar chain crystal

    International Nuclear Information System (INIS)

    You, Jhih-Shih; Wang, Daw-Wei

    2014-01-01

    We propose an experimental scheme to effectively assemble chains of dipolar gases with a uniform length in a multi-layer system. The obtained dipolar chains can form a chain crystal with the system temperature easily controlled by the initial lattice potential and the external field strength during processing. When the density of chains increases, we further observe a second order quantum phase transition for the chain crystal to be dissociated toward layers of 2D crystal, where the quantum fluctuation dominates the classical energy and the compressibility diverges at the phase boundary. The experimental implication of such a dipolar chain crystal and its quantum phase transition is also discussed. (paper)

  2. Effect of a number of elements and thermochemical treatment on formation of colour centers in the corundum lattice

    International Nuclear Information System (INIS)

    Zhdanov, Eh.A.

    1985-01-01

    Effects of a number of elements (including the elements of the 2-nd grouo) on the formation of colour centres in the corundum lattice are studied by optical methods. It is shown that the introduction of a number of elements in the corundum lattice results in the formation of colour centrers (F + , F and other), different ions influencing (exciting) F + and F-centres energy structure in a fdifferent way which is apparently and primatiluy related to a difference in activator ion redius. Joint effect of activator and subsequet thermochemical treatment on corundum crystal optical properties is studied. Possibilities of a significant numerical increase of F + and F centres are revealed as well as the formation of new colour centres in α-Al 2 O 3 . The obtained results expand spectral characteristics of corundum-based crystals

  3. Effects of tellurium concentration on the structure of melt-grown ZnSe crystals

    International Nuclear Information System (INIS)

    Atroshchenko, Lyubov V.; Galkin, Sergey N.; Rybalka, Irina A.; Voronkin, Evgeniy F.; Lalayants, Alexandr I.; Ryzhikov, Vladimir D.; Fedorov, Alexandr G.

    2005-01-01

    It has been shown that isovalent doping by tellurium positively affects the structural perfection of ZnSe crystals related to the completeness of the wurtzite-sphalerite phase transition. The optimum concentration range of tellurium in ZnSe crystals is 0.3-0.6 mass %. X-ray diffraction studies have shown that in ZnSe 1-x Te x crystals at tellurium concentrations below 0.3 mass % twinning and packing defects occur, while tellurium concentrations above 0.6 mass % lead to formation of tetragonal crystal lattice

  4. Thermal conduction in classical low-dimensional lattices

    International Nuclear Information System (INIS)

    Lepri, Stefano; Livi, Roberto; Politi, Antonio

    2003-01-01

    Deriving macroscopic phenomenological laws of irreversible thermodynamics from simple microscopic models is one of the tasks of non-equilibrium statistical mechanics. We consider stationary energy transport in crystals with reference to simple mathematical models consisting of coupled oscillators on a lattice. The role of lattice dimensionality on the breakdown of the Fourier's law is discussed and some universal quantitative aspects are emphasized: the divergence of the finite-size thermal conductivity is characterized by universal laws in one and two dimensions. Equilibrium and non-equilibrium molecular dynamics methods are presented along with a critical survey of previous numerical results. Analytical results for the non-equilibrium dynamics can be obtained in the harmonic chain where the role of disorder and localization can be also understood. The traditional kinetic approach, based on the Boltzmann-Peierls equation is also briefly sketched with reference to one-dimensional chains. Simple toy models can be defined in which the conductivity is finite. Anomalous transport in integrable non-linear systems is briefly discussed. Finally, possible future research themes are outlined

  5. Effect of ion nitriding on the crystal structure of 3 mol% Y{sub 2}O{sub 3}-doped ZrO{sub 2} thin-films prepared by the sol-gel method

    Energy Technology Data Exchange (ETDEWEB)

    Ortiz, A.L. [Departamento de Electronica e Ingenieria Electromecanica, Escuela de Ingenierias Industriales, Universidad de Extremadura, Badajoz 06071 (Spain)]. E-mail: alortiz@unex.es; Diaz-Parralejo, A. [Departamento de Electronica e Ingenieria Electromecanica, Escuela de Ingenierias Industriales, Universidad de Extremadura, Badajoz 06071 (Spain); Borrero-Lopez, O. [Departamento de Electronica e Ingenieria Electromecanica, Escuela de Ingenierias Industriales, Universidad de Extremadura, Badajoz 06071 (Spain); Guiberteau, F. [Departamento de Electronica e Ingenieria Electromecanica, Escuela de Ingenierias Industriales, Universidad de Extremadura, Badajoz 06071 (Spain)

    2006-06-30

    We investigated the effect of ion nitriding on the crystal structure of 3 mol% Y{sub 2}O{sub 3}-doped ZrO{sub 2} (3YSZ) thin-films prepared by the sol-gel method. For this purpose, we used X-ray diffractometry to determine the crystalline phases, the lattice parameters, the crystal sizes, and the lattice microstrains, and glow discharge-optical emission spectroscopy to obtain the depth profiles of the elemental chemical composition. We found that nitrogen atoms substitute oxygen atoms in the 3YSZ crystal, thus leading to the formation of unsaturated-substitutional solid solutions with reduced lattice parameters and Zr{sub 0.94}Y{sub 0.06}O{sub 1.72}N{sub 0.17} stoichiometric formula. We also found that ion nitriding does not affect the grain size, but does generate lattice microstrains due to the increase in point defects in the crystalline lattice.

  6. Lattice dynamics of fcc helium at high pressure

    International Nuclear Information System (INIS)

    Eckert, J.; Thomlinson, W.; Shirane, G.

    1977-01-01

    The neutron-inelastic-scattering technique was used to measure the phonon dispersion relations in a high-density crystal of fcc He at 38 K. The crystal was grown at a pressure of 4.93 kbar and a temperature of 38.5 K in a high-pressure sample holder. Its lattice parameter was determined to be 3.915 +- 0.002 A, equivalent to a molar volume of 9.03 cm 3 /mol. The measured dispersion curves were found to be in good agreement with a recent calculation by Goldman using the first-order self-consistent phonon theory without short-range correlation functions. The strong anharmonic effects observed in earlier measurements on the crystals of 21 cm 3 /mol were found to be much less prominent in this He crystal. The magnitude of the multiphonon interference effects on the one-phonon intensities is shown to be less than half of that observed in the low-density crystals. Thermodynamic analysis of the data yielded THETA/sup M//sub D/ = 154 K which indicates that the ratio of mean amplitude of vibration to the nearest-neighbor distance is 8.6%, as opposed to nearly 30% for the lowest-density He crystals. The dependence of the phonon energies on volume is discussed with reference to the earlier work of Traylor et al. on an fcc crystal at 11.7 cm 3 /mol. Limited measurements were also made at 22 K to determine the temperature dependence of the phonon energies. Unusually large isochoric temperature shifts of as much as 15% for some phonons close to the zone center were found over the range of 22--38 K

  7. Generalized isothermic lattices

    International Nuclear Information System (INIS)

    Doliwa, Adam

    2007-01-01

    We study multi-dimensional quadrilateral lattices satisfying simultaneously two integrable constraints: a quadratic constraint and the projective Moutard constraint. When the lattice is two dimensional and the quadric under consideration is the Moebius sphere one obtains, after the stereographic projection, the discrete isothermic surfaces defined by Bobenko and Pinkall by an algebraic constraint imposed on the (complex) cross-ratio of the circular lattice. We derive the analogous condition for our generalized isothermic lattices using Steiner's projective structure of conics, and we present basic geometric constructions which encode integrability of the lattice. In particular, we introduce the Darboux transformation of the generalized isothermic lattice and we derive the corresponding Bianchi permutability principle. Finally, we study two-dimensional generalized isothermic lattices, in particular geometry of their initial boundary value problem

  8. Zak phase induced multiband waveguide by two-dimensional photonic crystals.

    Science.gov (United States)

    Yang, Yuting; Xu, Tao; Xu, Yun Fei; Hang, Zhi Hong

    2017-08-15

    Interface states in photonic crystals provide efficient approaches to control the flow of light. Photonic Zak phase determines the bulk band properties of photonic crystals, and, by assembling two photonic crystals with different bulk band properties together, deterministic interface states can be realized. By translating each unit cell of a photonic crystal by half the lattice constant, another photonic crystal with identical common gaps but a different Zak phase at each photonic band can be created. By assembling these two photonic crystals together, multiband waveguide can thus be easily created and then experimentally characterized. Our experimental results have good agreement with numerical simulations, and the propagation properties of these measured interface states indicate that this new type of interface state will be a good candidate for future applications of optical communications.

  9. Advanced applications of ion channeling for the study of imperfections in crystals

    Energy Technology Data Exchange (ETDEWEB)

    Swanson, M L [North Carolina Univ., Chapel Hill, NC (United States)

    1997-03-01

    A review will be given of the applications of medium energy ion channeling for the studies of imperfections in the near-surface regions of crystals. The following topics will be discussed: (1.) epitaxial layers, including elemental depositions of a few monolayers, strained-layer superlattices, and compound layers; (2.) lattice defects, including ion damage in diamond, dislocation networks in Si, and anomalous lattice vibrations in high temperature superconductors; (3.) lattice sites of solute atoms, including substitutional sites in compounds (LiNbO{sub 3} and GaP), and interstitial sites produced by association with point defects. (author)

  10. Lattice fermions

    Energy Technology Data Exchange (ETDEWEB)

    Randjbar-Daemi, S

    1995-12-01

    The so-called doubling problem in the lattice description of fermions led to a proof that under certain circumstances chiral gauge theories cannot be defined on the lattice. This is called the no-go theorem. It implies that if {Gamma}/sub/A is defined on a lattice then its infrared limit, which should correspond to the quantum description of the classical action for the slowly varying fields on lattice scale, is inevitably a vector like theory. In particular, if not circumvented, the no-go theorem implies that there is no lattice formulation of the Standard Weinberg-Salam theory or SU(5) GUT, even though the fermions belong to anomaly-free representations of the gauge group. This talk aims to explain one possible attempt at bypassing the no-go theorem. 20 refs.

  11. Lattice fermions

    International Nuclear Information System (INIS)

    Randjbar-Daemi, S.

    1995-12-01

    The so-called doubling problem in the lattice description of fermions led to a proof that under certain circumstances chiral gauge theories cannot be defined on the lattice. This is called the no-go theorem. It implies that if Γ/sub/A is defined on a lattice then its infrared limit, which should correspond to the quantum description of the classical action for the slowly varying fields on lattice scale, is inevitably a vector like theory. In particular, if not circumvented, the no-go theorem implies that there is no lattice formulation of the Standard Weinberg-Salam theory or SU(5) GUT, even though the fermions belong to anomaly-free representations of the gauge group. This talk aims to explain one possible attempt at bypassing the no-go theorem. 20 refs

  12. Topologically protected bound states in photonic parity-time-symmetric crystals.

    Science.gov (United States)

    Weimann, S; Kremer, M; Plotnik, Y; Lumer, Y; Nolte, S; Makris, K G; Segev, M; Rechtsman, M C; Szameit, A

    2017-04-01

    Parity-time (PT)-symmetric crystals are a class of non-Hermitian systems that allow, for example, the existence of modes with real propagation constants, for self-orthogonality of propagating modes, and for uni-directional invisibility at defects. Photonic PT-symmetric systems that also support topological states could be useful for shaping and routing light waves. However, it is currently debated whether topological interface states can exist at all in PT-symmetric systems. Here, we show theoretically and demonstrate experimentally the existence of such states: states that are localized at the interface between two topologically distinct PT-symmetric photonic lattices. We find analytical closed form solutions of topological PT-symmetric interface states, and observe them through fluorescence microscopy in a passive PT-symmetric dimerized photonic lattice. Our results are relevant towards approaches to localize light on the interface between non-Hermitian crystals.

  13. Band gap of two-dimensional fiber-air photonic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Shu, E-mail: yangshu5678@163.com; Li, Masha

    2016-04-15

    A two-dimensional photonic crystal (PC) composed of textile fiber and air is initially discussed in this paper. Textile materials are so called soft materials, which are different from the previous PCs composed of rigid materials. The plain wave expansion method is used to calculate band structure of different PCs by altering component properties or structural parameters. Results show that the dielectric constant of textile fibers, fiber filling ratio and lattice arrangement are effective factors which influence PCs' band gap. Yet lattice constant and fiber diameter make inconspicuous influence on the band gap feature.

  14. Solid-state dynamics and single-crystal to single-crystal structural transformations in octakis(3-chloropropyl)octasilsesquioxane and octavinyloctasilsesquioxane.

    Science.gov (United States)

    Kowalewska, A; Nowacka, M; Włodarska, M; Zgardzińska, B; Zaleski, R; Oszajca, M; Krajenta, J; Kaźmierski, S

    2017-10-18

    Reactive octahedral silsesquioxanes of rod-like [octakis(3-chloropropyl)octasilsesquioxane - T 8 (CH 2 CH 2 CH 2 Cl) 8 ] and spherical [octavinyloctasilsesquioxane - T 8 (CH[double bond, length as m-dash]CH 2 ) 8 ] structure can undergo reversible thermally induced phase transitions in the solid state. The phase behaviour has been studied with differential scanning calorimetry (DSC, including temperature modulated DSC), X-ray diffraction, dielectric relaxation spectroscopy (DRS), and nuclear magnetic resonance spectroscopy in the solid state (SS NMR), as well as positron annihilation lifetime spectroscopy (PALS) and polarized optical microscopy (POM). The mechanisms involving fitting the molecules into most symmetrical crystal lattices vary for species of different structure. Thermal energy can be used to expand the crystal lattice leading to thermochromism in the case of T 8 (CH[double bond, length as m-dash]CH 2 ) 8 or conversely to an unusual negative thermal expansion of crystals of T 8 (CH 2 CH 2 CH 2 Cl) 8 that results in their self-actuation. The complex behaviour is reflected in unusual changes in the capacitance and fractional free volume of the material. These phenomena can be used for molecular design of advanced well-defined hybrid materials capable of reversible thermally induced structural transformations. The findings present a new perspective for POSS-based flexible metal-organic frameworks (MOF) of cooperative structural transformability via entropy-based translational sub-net sliding.

  15. Many-beam effects in electron microscope images of lattice defects

    International Nuclear Information System (INIS)

    Izui, Kazuhiko; Nishida, Takahiko; Furuno, Shigemi; Otsu, Hitoshi

    1974-01-01

    Multi-beam effects in electron microscopic images were investigated. A computation program was developed on the basis of a matrix theory of the multi-beam effects. The matrix theory for a perfect crystal and an imperfect crystal is described, and expression for absorption coefficient is presented. The amplitude of electron wave penetrating through lattice defects is expressed by using scattering matrices which correspond to crystal slices. Calculation of extinction distance was performed, and compared with experimental results. In case of systematic reflection, the difference between two beams and from four to eight beams approximation was small, while a large effect was seen in case of accidental reflection. The intensity profile of bend contour was calculated for silicon and copper-aluminum alloy. Distance between submaxima becomes short with increase of thickness. The change in stacking fault fringes with diffraction condition was investigated. Samples were copper-aluminum alloy. Systematic behavior of the fringes was obtained, and the calculated results reproduced experimental ones. (Kato, T.)

  16. Relativistic electron Wigner crystal formation in a cavity for electron acceleration

    CERN Document Server

    Thomas, Johannes; Pukhov, Alexander

    2014-01-01

    It is known that a gas of electrons in a uniform neutralizing background can crystallize and form a lattice if the electron density is less than a critical value. This crystallization may have two- or three-dimensional structure. Since the wake field potential in the highly-nonlinear-broken-wave regime (bubble regime) has the form of a cavity where the background electrons are evacuated from and only the positively charged ions remain, it is suited for crystallization of trapped and accelerated electron bunch. However, in this case, the crystal is moving relativistically and shows new three-dimensional structures that we call relativistic Wigner crystals. We analyze these structures using a relativistic Hamiltonian approach. We also check for stability and phase transitions of the relativistic Wigner crystals.

  17. Disappearing Enantiomorphs: Single Handedness in Racemate Crystals.

    Science.gov (United States)

    Parschau, Manfred; Ernst, Karl-Heinz

    2015-11-23

    Although crystallization is the most important method for the separation of enantiomers of chiral molecules in the chemical industry, the chiral recognition involved in this process is poorly understood at the molecular level. We report on the initial steps in the formation of layered racemate crystals from a racemic mixture, as observed by STM at submolecular resolution. Grown on a copper single-crystal surface, the chiral hydrocarbon heptahelicene formed chiral racemic lattice structures within the first layer. In the second layer, enantiomerically pure domains were observed, underneath which the first layer contained exclusively the other enantiomer. Hence, the system changed from a 2D racemate into a 3D racemate with enantiomerically pure layers after exceeding monolayer-saturation coverage. A chiral bias in form of a small enantiomeric excess suppressed the crystallization of one double-layer enantiomorph so that the pure minor enantiomer crystallized only in the second layer. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Dipolar local field in homogeneously magnetized quasi-two-dimensional crystals

    International Nuclear Information System (INIS)

    Leon, H; Estevez-Rams, E

    2009-01-01

    A formalism to calculate the dipolar local field in homogeneously magnetized quasi-two-dimensional (Q2D) crystals is comprehensively presented. Two fundamental tests for this formalism are accomplished: the transition from the Q2D quantities to the corresponding 3D ones; and the recovering of the macroscopic quantities of the 3D continuum theory. The additive separation between lattice and shape contributions to the local field allows an unambiguous interpretation of the respective effects. Calculated demagnetization tensors for square and circular lateral geometries of dipole layers show that for a single crystal layer an extremely thin film, but still with a finite thickness, is a better physical representation than a strictly 2D plane. Distinct close-packed structures are simulated and calculations of the local field at the nodes of the stacked 2D lattices allow one to establish the number of significantly coupled dipole layers, depending on the ratio between the interlayer distance and the 2D lattice constant. The conclusions drawn are of interest for the study of the dipolar interaction in magnetic ultrathin films and other nanostructured materials, where magnetic nanoparticles are embedded in non-magnetic matrices.

  19. Photon emission by electrons and positrons traversing thin single crystal

    International Nuclear Information System (INIS)

    Ol'chak, A.S.

    1984-01-01

    Radiation emission by planar channeled particles (electrons, positrons) in a thin single crystal of thickness L is considered. It is shown that for L approximately πb/THETAsub(L) (b is the lattice constant, THETA sub(L) the Lindhard angle) besides the main spontaneous channeling maxima there exist auxiliary interference maxima, the positions of all the maxima depending on L. The dependence of the radiation spectral intensity on crystal thickness is discussed

  20. Dispersion of low frequency vibrations in the deuterated naphthalene crystal

    International Nuclear Information System (INIS)

    Bokhenkov, E.L.; Sheka, E.; Natkaniec, I.

    1977-01-01

    The dispersion curves of the lattice vibrations and of the two lowest intramolecular vibrations in d 8 -naphthalene (C 10 D 8 ) crystal have been measured by coherent inelastic neutron scattering for the [010] and the [100] directions at the temperature of 98 K and partially at 5 K. The results are compared with calculations based on the Kitaigorodskii parameters for C-C, C-H and H-H interactions in organic molecular crystals. (author)

  1. Orientation and deformation of mineral crystals in tooth surfaces.

    Science.gov (United States)

    Fujisaki, Kazuhiro; Todoh, Masahiro; Niida, Atsushi; Shibuya, Ryota; Kitami, Shunsuke; Tadano, Shigeru

    2012-06-01

    Tooth enamel is the hardest material in the human body, and it is mainly composed of hydroxyapatite (HAp)-like mineral particles. As HAp has a hexagonal crystal structure, X-ray diffraction methods can be used to analyze the crystal structure of HAp in teeth. Here, the X-ray diffraction method was applied to the surface of tooth enamel to measure the orientation and strain of the HAp crystals. The c-axis of the hexagonal crystal structure of HAp was oriented to the surface perpendicular to the tooth enamel covering the tooth surface. Thus, the strain of HAp at the surface of teeth was measured by X-ray diffraction from the (004) lattice planes aligned along the c-axis. The X-ray strain measurements were conducted on tooth specimens with intact surfaces under loading. Highly accurate strain measurements of the surface of tooth specimens were performed by precise positioning of the X-ray irradiation area during loading. The strains of the (004) lattice plane were measured at several positions on the surface of the specimens under compression along the tooth axis. The strains were obtained as tensile strains at the labial side of incisor tooth specimens. In posterior teeth, the strains were different at different measurement positions, varying from tensile to compressive types. Copyright © 2012 Elsevier Ltd. All rights reserved.

  2. Optics of globular photonic crystals

    International Nuclear Information System (INIS)

    Gorelik, V S

    2007-01-01

    The results of experimental and theoretical studies of the optical properties of globular photonic crystals - new physical objects having a crystal structure with the lattice period exceeding considerably the atomic size, are presented. As globular photonic crystals, artificial opal matrices consisting of close-packed silica globules of diameter ∼200 nm were used. The reflection spectra of these objects characterising the parameters of photonic bands existing in these crystals in the visible spectral region are presented. The idealised models of the energy band structure of photonic crystals investigated in the review give analytic dispersion dependences for the group velocity and the effective photon mass in a globular photonic crystal. The characteristics of secondary emission excited in globular photonic crystals by monochromatic and broadband radiation are presented. The results of investigations of single-photon-excited delayed scattering of light observed in globular photonic crystals exposed to cw UV radiation and radiation from a repetitively pulsed copper vapour laser are presented. The possibilities of using globular photonic crystals as active media for lasing in different spectral regions are considered. It is proposed to use globular photonic crystals as sensitive sensors in optoelectronic devices for molecular analysis of organic and inorganic materials by the modern methods of laser spectroscopy. The results of experimental studies of spontaneous and stimulated globular scattering of light are discussed. The conditions for observing resonance and two-photon-excited delayed scattering of light are found. The possibility of accumulation and localisation of the laser radiation energy inside a globular photonic crystal is reported. (review)

  3. Microwave dielectric tangent losses in KDP and DKDP crystals

    Indian Academy of Sciences (India)

    By adding cubic and quartic phonon anharmonic interactions in the pseudospin lattice coupled mode (PLCM) model for KDP-type crystals and using double-time temperature dependent Green's function method, expressions for soft mode frequency, dielectric constant and dielectric tangent loss are obtained. Using model ...

  4. Inter-grain coupling and grain charge in dusty plasma Coulomb crystals

    International Nuclear Information System (INIS)

    Smith, M. A.; Goodrich, J.; Mohideen, U.; Rahman, H. U.; Rosenberg, M.; Mendis, D. A.

    1998-01-01

    We have studied the lattice structure and grain charge of dusty plasma Coulomb crystals formed in rectangular conductive grooves as a function of plasma temperature and density. The crystal appears to be made of mutually repulsive columns of grains confined by the walls of the groove. The columns are oriented along the direction of the electrode sheath electric field. A simple phenomenological model wherein the inter-grain spacing results from an attractive electric field induced dipole-dipole force balanced by a repulsive monopole Coulomb force is consistent with observed features of the Coulomb crystal

  5. Radiation effects in corundum single crystals

    International Nuclear Information System (INIS)

    Gevorkyan, V.A.; Harutunyan, V.V.; Hakhverdyan, E.A.

    2005-01-01

    On the basis of new experimental results and analysis of publications it is shown that in the lattice of corundum crystals the high-energy particles create stable structural defects due to knocking out of atoms from normal sites of the anionic sublattice; this leads to the formation of F and F '+ centers as well as to other complex [Al i '+ F] type color centers. The essence of 'radiation memory' effect in corundum single crystals is that the high-energy particles irradiation, annealing at high temperatures and additional irradiation by X-rays result in the restoration of some spectral bands of the optical absorption in the range 200-650 nm

  6. Grain dynamics and inter-grain coupling in dusty plasma Coulomb crystals

    International Nuclear Information System (INIS)

    Rahman, H.U.; Mohideen, U.; Smith, M.A.; Rosenberg, M.; Mendis, D.A.

    2001-01-01

    We review our results on the lattice structure and the lattice dynamics of dusty plasma Coulomb crystals formed in rectangular conductive grooves. The basic structure appears to be made of mutually repulsive columns of grains confined by the walls of the groove. The columns are oriented along the direction of the electrode sheath electric field. Inter-grain coupling as a function of plasma temperature and density were investigated by measurement of these parameters. A simple phenomenological model wherein the inter-grain spacing along the column results from an attractive electric field induced dipole-dipole force balanced by a repulsive monopole Coulomb force is consistent with observed features of the Coulomb crystal. In addition, here we present some preliminary measurements of the vibration and rotation dynamics of the individual grains in the Coulomb crystal. The thermal energy of the dust grain thus calculated is much less than the inter-grain Coulomb potential energy as required for the formation of stable structures. Also the observed rotational frequency is consistent with the assumption of thermal equilibrium between the dust grains and the neutral gas. (orig.)

  7. Crystal growth and characterization of calcium metaborate scintillators

    Science.gov (United States)

    Fujimoto, Y.; Yanagida, T.; Kawaguchi, N.; Fukuda, K.; Totsuka, D.; Watanabe, K.; Yamazaki, A.; Chani, V.; Nikl, M.; Yoshikawa, A.

    2013-03-01

    Calcium metaborate CaB2O4 single crystals were grown by the Czochralski (CZ) method with the radio-frequency (RF) heating system. In these crystals, a plane cleavage was observed along the growth direction. The crystals had an 80% transparency, and no absorption bands were detected in the 190-900 nm wavelength range. The 241Am 5.5 MeV α-ray-excited radioluminescence spectrum of CaB2O4 demonstrated a broad intrinsic luminescence peak at 300-400 nm, which originated from the lattice defects or an exciton-based emission. According to the pulse height spectrum, when irradiated by neutrons from a 252Cf source, the scintillation light yielded approximately 3200 photons per neutron (ph/n).

  8. Melting of anisotropic colloidal crystals in two dimensions

    International Nuclear Information System (INIS)

    Eisenmann, C; Keim, P; Gasser, U; Maret, G

    2004-01-01

    The crystal structure and melting transition of two-dimensional colloids interacting via an anisotropic magnetic dipole-dipole potential are studied. Anisotropy is achieved by tilting the external magnetic field inducing the dipole moments of the colloidal particles away from the direction perpendicular to the particle plane. We find a centred rectangular lattice and a two-step melting similar to the phase transitions of the corresponding isotropic crystals via a quasi-hexatic phase. The latter is broadened compared to the hexatic phase for isotropic interaction potential due to strengthening of orientational order

  9. Melting of anisotropic colloidal crystals in two dimensions

    Science.gov (United States)

    Eisenmann, C.; Keim, P.; Gasser, U.; Maret, G.

    2004-09-01

    The crystal structure and melting transition of two-dimensional colloids interacting via an anisotropic magnetic dipole-dipole potential are studied. Anisotropy is achieved by tilting the external magnetic field inducing the dipole moments of the colloidal particles away from the direction perpendicular to the particle plane. We find a centred rectangular lattice and a two-step melting similar to the phase transitions of the corresponding isotropic crystals via a quasi-hexatic phase. The latter is broadened compared to the hexatic phase for isotropic interaction potential due to strengthening of orientational order.

  10. Improved ferroelectric and pyroelectric parameters in iminodiacetic acid doped TGS crystal

    Science.gov (United States)

    Rai, Chitharanjan; Sreenivas, K.; Dharmaprakash, S. M.

    2010-01-01

    Single crystals of Iminodiacetic acid (HN(CH 2COOH) 2) doped Triglycine sulphate (IDATGS) has been grown from aqueous solution at constant temperature by slow evaporation technique. The concentration of the dopant in the TGS solution was 2 mol%. The X-ray diffraction analysis indicates that there is significant change in the lattice parameters compared to pure TGS crystal. The IDATGS crystal has larger transition temperature and observed higher and uniform figure of merit over most part of the ferroelectric phase. These crystals also exhibit higher internal bias field and micro-hardness number compared to pure TGS. Therefore IDATGS may be a potential material for IR detectors.

  11. Tamm-plasmon polaritons in one-dimensional photonic quasi-crystals.

    Science.gov (United States)

    Shukla, Mukesh Kumar; Das, Ritwick

    2018-02-01

    We present an investigation to ascertain the existence of Tamm-plasmon-polariton-like modes in one-dimensional (1D) quasi-periodic photonic systems. Photonic bandgap formation in quasi-crystals is essentially a consequence of long-range periodicity exhibited by multilayers and, thus, it can be explained using the dispersion relation in the Brillouin zone. Defining a "Zak"-like topological phase in 1D quasi-crystals, we propose a recipe to ascertain the existence of Tamm-like photonic surface modes in a metal-terminated quasi-crystal lattice. Additionally, we also explore the conditions of efficient excitation of such surface modes along with their dispersion characteristics.

  12. Lattice gauge theory

    International Nuclear Information System (INIS)

    Mack, G.

    1982-01-01

    After a description of a pure Yang-Mills theory on a lattice, the author considers a three-dimensional pure U(1) lattice gauge theory. Thereafter he discusses the exact relation between lattice gauge theories with the gauge groups SU(2) and SO(3). Finally he presents Monte Carlo data on phase transitions in SU(2) and SO(3) lattice gauge models. (HSI)

  13. The Effect of Anisotropy on Light Extraction of Organic Light-Emitting Diodes with Photonic Crystal Structure

    Directory of Open Access Journals (Sweden)

    Wei Xu

    2013-01-01

    Full Text Available The light extraction efficiency of organic light-emitting diodes (OLED is greatly limited due to the difference in refractive indexes between materials of OLED. We fabricated OLED with photonic crystal microstructures in the interface between the glass substrate and the ITO anode. The light extraction efficiency can be improved by utilizing photonic crystals; however, the anisotropy effect of light extraction was clearly observed in experiment. To optimize the device performance, the effect of photonic crystal on both light extraction and angular distribution was investigated using finite-difference time domain (FDTD method. We simulated the photonic crystals with the structure of square lattice and triangle lattice. We analyzed the improvement of these structures in the light extraction efficiency of the OLED and the influence of arrangement, depth, period, and diameter on anisotropy. The optimized geometric parameters were provided, which will provide the theoretical support for designing the high performance OLED.

  14. Amplitude-dependent topological edge states in nonlinear phononic lattices

    Science.gov (United States)

    Pal, Raj Kumar; Vila, Javier; Leamy, Michael; Ruzzene, Massimo

    2018-03-01

    This work investigates the effect of nonlinearities on topologically protected edge states in one- and two-dimensional phononic lattices. We first show that localized modes arise at the interface between two spring-mass chains that are inverted copies of each other. Explicit expressions derived for the frequencies of the localized modes guide the study of the effect of cubic nonlinearities on the resonant characteristics of the interface, which are shown to be described by a Duffing-like equation. Nonlinearities produce amplitude-dependent frequency shifts, which in the case of a softening nonlinearity cause the localized mode to migrate to the bulk spectrum. The case of a hexagonal lattice implementing a phononic analog of a crystal exhibiting the quantum spin Hall effect is also investigated in the presence of weakly nonlinear cubic springs. An asymptotic analysis provides estimates of the amplitude dependence of the localized modes, while numerical simulations illustrate how the lattice response transitions from bulk-to-edge mode-dominated by varying the excitation amplitude. In contrast with the interface mode of the first example studies, this occurs both for hardening and softening springs. The results of this study provide a theoretical framework for the investigation of nonlinear effects that induce and control topologically protected wave modes through nonlinear interactions and amplitude tuning.

  15. Validation of a Crystal Plasticity Model Using High Energy Diffraction Microscopy

    Science.gov (United States)

    Beaudoin, A. J.; Obstalecki, M.; Storer, R.; Tayon, W.; Mach, J.; Kenesei, P.; Lienert, U.

    2012-01-01

    High energy diffraction microscopy is used to measure the crystallographic orientation and evolution of lattice strain in an Al Li alloy. The relative spatial arrangement of the several pancake-shaped grains in a tensile sample is determined through in situ and ex situ techniques. A model for crystal plasticity with continuity of lattice spin is posed, where grains are represented by layers in a finite element mesh following the arrangement indicated by experiment. Comparison is drawn between experiment and simulation.

  16. Monte Carlo study of the double and super-exchange model with lattice distortion

    Energy Technology Data Exchange (ETDEWEB)

    Suarez, J R; Vallejo, E; Navarro, O [Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Apartado Postal 70-360, 04510 Mexico D. F. (Mexico); Avignon, M, E-mail: jrsuarez@iim.unam.m [Institut Neel, Centre National de la Recherche Scientifique (CNRS) and Universite Joseph Fourier, BP 166, 38042 Grenoble Cedex 9 (France)

    2009-05-01

    In this work a magneto-elastic phase transition was obtained in a linear chain due to the interplay between magnetism and lattice distortion in a double and super-exchange model. It is considered a linear chain consisting of localized classical spins interacting with itinerant electrons. Due to the double exchange interaction, localized spins tend to align ferromagnetically. This ferromagnetic tendency is expected to be frustrated by anti-ferromagnetic super-exchange interactions between neighbor localized spins. Additionally, lattice parameter is allowed to have small changes, which contributes harmonically to the energy of the system. Phase diagram is obtained as a function of the electron density and the super-exchange interaction using a Monte Carlo minimization. At low super-exchange interaction energy phase transition between electron-full ferromagnetic distorted and electron-empty anti-ferromagnetic undistorted phases occurs. In this case all electrons and lattice distortions were found within the ferromagnetic domain. For high super-exchange interaction energy, phase transition between two site distorted periodic arrangement of independent magnetic polarons ordered anti-ferromagnetically and the electron-empty anti-ferromagnetic undistorted phase was found. For this high interaction energy, Wigner crystallization, lattice distortion and charge distribution inside two-site polarons were obtained.

  17. Emission channeling lattice location experiments with short-lived isotopes

    CERN Multimedia

    Wahl, U; Ronning, C R

    2007-01-01

    Emission channeling with position-sensitive detectors is a well-established technique at ISOLDE for studying the lattice location of radioactive impurities implanted into single crystals. In the case of electron emitting isotopes, however, due to count rate and noise-related limitations of the detection systems, the technique was restricted to isotopes with half lives above 6 h and electron energies above 40 keV. Recently, major technical developments have been realized and new equipment has been acquired which has allowed these limitations to be overcome and made feasible electron emission channeling experiments with short-lived isotopes and at low electron energies.\\\\ As first application, making use of two new on-line emission channeling setups at ISOLDE, we propose to investigate the lattice location of the transition metals Ni (2.5 h) and Co (1.6 h) in semiconductors, in particular in ZnO and GaN, by means of on-line $\\beta^{-}$-emission channeling experiments. In addition, we would like to study the lat...

  18. Elliptical As2Se3 filled core ultra-high-nonlinearity and polarization-maintaining photonic crystal fiber with double hexagonal lattice cladding

    Science.gov (United States)

    Li, Feng; He, Menghui; Zhang, Xuedian; Chang, Min; Wu, Zhizheng; Liu, Zheng; Chen, Hua

    2018-05-01

    A high birefringence and ultra-high nonlinearity photonic crystal fiber (PCF) is proposed, which is composed of an elliptical As2Se3-doped core and an inner cladding with hexagonal lattice. Optical properties of the PCF are simulated by the full-vector finite element method. The simulation results show that the high birefringence of ∼0.33, ultra-high-nonlinearity coefficient of 300757 W-1km-1 and the low confinement loss can be achieved in the proposed PCF simultaneously at the wavelength of 1.55 μm. Furthermore, by comparison with the other two materials (80PbO•20Ga2O3, As2S3) filled in the core, the As2Se3-doped PCF is found to have the highest birefringence and nonlinearity due to its higher refractive index and nonlinear refractive index. The flattened dispersion feature, as well as the low confinement loss of the proposed PCF structure make it suitable as a wide range of applications, such as the coherent optical communications, polarization-maintaining and nonlinear optics, etc.

  19. Crystal Growth of Ca3Nb(Ga1−xAlx3Si2O14 Piezoelectric Single Crystals with Various Al Concentrations

    Directory of Open Access Journals (Sweden)

    Yuui Yokota

    2015-08-01

    Full Text Available Ca3Nb(Ga1−xAlx3Si2O14 (CNGAS single crystals with various Al concentrations were grown by a micro-pulling-down (µ-PD method and their crystal structures, chemical compositions, crystallinities were investigated. CNGAS crystals with x = 0.2, 0.4 and 0.6 indicated a single phase of langasite-type structure without any secondary phases. In contrast, the crystals with x = 0.8 and 1 included some secondary phases in addition to the langasite-type phase. Lattice parameters, a- and c-axes lengths, of the langasite-type phase systematically decreased with an increase of Al concentration. The results of chemical composition analysis revealed that the actual Al concentrations in as-grown crystals were almost consistent with the nominal compositions. In addition, there was no large segregation of each cation along the growth direction.

  20. Laser diffraction analysis of colloidal crystals

    Energy Technology Data Exchange (ETDEWEB)

    Sogami, Ikuo S.; Shinohara, Tadatomi; Yoshiyama, Tsuyoshi [Kyoto Sangyo Univ., Department of Physics, Kyoto (Japan)

    2001-10-01

    Laser diffraction analysis is made on crystallization in salt-free aqueous suspensions of highly-charged colloidal particles for semi-dilute specimens of concentration 0.1-10.0 vol%. Kossel diffraction patterns which represent faithfully accurate information on lattice symmetries in the suspensions enable us to investigate the time evolution of colloidal crystals. The results show that the crystallization proceeds by way of the following intermediate phase transitions: two-dimensional hcp structure {yields} random layer structure {yields} layer structure with one sliding degree of freedom {yields} stacking disorder structure {yields} stacking structure with multivariant periodicity {yields} fcc twin structure with twin plane (111) {yields} normal fcc structure {yields} bcc twin structure with twin plane (11-bar2) or (1-bar12) {yields} normal bcc structure. For concentrated suspensions (>2 vol %), the phase transition ceases to proceed at the normal fcc structure. (author)

  1. Laser diffraction analysis of colloidal crystals

    International Nuclear Information System (INIS)

    Sogami, Ikuo S.; Shinohara, Tadatomi; Yoshiyama, Tsuyoshi

    2001-01-01

    Laser diffraction analysis is made on crystallization in salt-free aqueous suspensions of highly-charged colloidal particles for semi-dilute specimens of concentration 0.1-10.0 vol%. Kossel diffraction patterns which represent faithfully accurate information on lattice symmetries in the suspensions enable us to investigate the time evolution of colloidal crystals. The results show that the crystallization proceeds by way of the following intermediate phase transitions: two-dimensional hcp structure → random layer structure → layer structure with one sliding degree of freedom → stacking disorder structure → stacking structure with multivariant periodicity → fcc twin structure with twin plane (111) → normal fcc structure → bcc twin structure with twin plane (11-bar2) or (1-bar12) → normal bcc structure. For concentrated suspensions (>2 vol %), the phase transition ceases to proceed at the normal fcc structure. (author)

  2. Synchrotron Bragg diffraction imaging characterization of synthetic diamond crystals for optical and electronic power device applications.

    Science.gov (United States)

    Tran Thi, Thu Nhi; Morse, J; Caliste, D; Fernandez, B; Eon, D; Härtwig, J; Barbay, C; Mer-Calfati, C; Tranchant, N; Arnault, J C; Lafford, T A; Baruchel, J

    2017-04-01

    Bragg diffraction imaging enables the quality of synthetic single-crystal diamond substrates and their overgrown, mostly doped, diamond layers to be characterized. This is very important for improving diamond-based devices produced for X-ray optics and power electronics applications. The usual first step for this characterization is white-beam X-ray diffraction topography, which is a simple and fast method to identify the extended defects (dislocations, growth sectors, boundaries, stacking faults, overall curvature etc. ) within the crystal. This allows easy and quick comparison of the crystal quality of diamond plates available from various commercial suppliers. When needed, rocking curve imaging (RCI) is also employed, which is the quantitative counterpart of monochromatic Bragg diffraction imaging. RCI enables the local determination of both the effective misorientation, which results from lattice parameter variation and the local lattice tilt, and the local Bragg position. Maps derived from these parameters are used to measure the magnitude of the distortions associated with polishing damage and the depth of this damage within the volume of the crystal. For overgrown layers, these maps also reveal the distortion induced by the incorporation of impurities such as boron, or the lattice parameter variations associated with the presence of growth-incorporated nitrogen. These techniques are described, and their capabilities for studying the quality of diamond substrates and overgrown layers, and the surface damage caused by mechanical polishing, are illustrated by examples.

  3. Azimuthal anisotropy of light extraction from photonic crystal light-emitting diodes

    Energy Technology Data Exchange (ETDEWEB)

    Lai, Chun-Feng; Lu, T.C.; Wang, S.C. [Department of Photonics and Institute of Electro-Optical Engineering, National Chiao-Tung University, Hsinchu 300, Taiwan (China); Chao, C.H.; Hsueh, H.T.; Wang, J.F.T.; Yeh, W.Y.; Chi, J.Y. [Electronics and Optoelectronics Research Laboratories, Industrial Technology Research Institute, Hsinchu 310, Taiwan (China); Kuo, H.C.

    2008-07-01

    Photonic crystal (PhC) light-emitting diodes (LEDs) exhibiting anisotropic light extraction have been investigated experimentally and theoretically. It is found that the anisotropic light extraction strongly depends on the lattice constant and orientation. Optical images of the anisotropy in the azimuthal direction are obtained using annular structure with triangular lattice. 6-fold symmetric light extraction patterns with varying number of petals are observed. More petals in multiple of 6 appear in the observed image with lattice constant increasing. This anisotropic behavior suggests a new means to optimize the PhC design of GaN LED for light extraction. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  4. Structure and degeneracy of vortex lattice domains in pure superconducting niobium: A small-angle neutron scattering study

    DEFF Research Database (Denmark)

    Laver, M.; Bowell, C.J.; Forgan, E.M.

    2009-01-01

    High-purity niobium exhibits a surprisingly rich assortment of vortex lattice (VL) structures for fields applied parallel to a fourfold symmetry axis, with all observed VL phases made up of degenerate domains that spontaneously break some crystal symmetry. Yet a single regular hexagonal VL domain...

  5. Single-crystal growth of ceria-based materials; Einkristallzuechtung von Materialien auf der Basis von Cerdioxid

    Energy Technology Data Exchange (ETDEWEB)

    Ulbrich, Gregor

    2015-07-23

    In this work it could be shown that Skull-Melting is a suitable method for growing ceria single crystals. Twenty different ceria-based single crystals could be manufactured. It was possible to dope ceria single crystals with Gd, Sm, Y, Zr, Ti, Ta, and Pr in different concentrations. Also co-doping with the named metals was realized. However, there remain some problems for growing ceria-based single crystals by Skull-Melting. As ignition metal zirconium was used because no ceria-based material works well. For that reason all single crystals show small zirconium contamination. Another problem is the formation of oxygen by the heat-induced reduction of ceria during the melting process. Because of that the skull of sintered material is often destroyed by gas pressure. This problem had to be solved individually for every single crystal. The obtained single crystals were characterized using different methods. To ensure the single crystal character the y were examined by Laue diffraction. All manufactured crystals are single crystals. Also powder diffraction patterns of the milled and oxidized samples were measured. For the determination of symmetry and metric the structural parameters were analyzed by the Rietveld method. All synthesized materials crystallize in space group Fm-3m known from calcium fluoride. The cubic lattice parameter a was determined for all crystals. In the case of series with different cerium and zirconium concentrations a linear correlation between cerium content and cubic lattice parameter was detected. The elemental composition was determined by WDX. All crystals show a homogeneous elemental distribution. The oxygen content was calculated because the WDX method isn't useful for determination.

  6. Epitaxial Growth of Permalloy Thin Films on MgO Single-Crystal Substrates

    International Nuclear Information System (INIS)

    Ohtake, Mitsuru; Tanaka, Takahiro; Matsubara, Katsuki; Futamoto, Masaaki; Kirino, Fumiyoshi

    2011-01-01

    Permalloy (Py: Ni - 20 at. % Fe) thin films were prepared on MgO single-crystal substrates of (100), (110), and (111) orientations by molecular beam epitaxy. Py crystals consisting of fcc(100) and hcp(112-bar 0) orientations epitaxially nucleate on MgO(100) substrates. With increasing the substrate temperature, the volume ratio of fcc(100) to hcp(112-bar 0) crystal increases. The metastable hcp(112-bar 0) structure transforms into more stable fcc(110) structure with increasing the film thickness. Py(110) fcc single-crystal films are obtained on MgO(110) substrates, whereas Py films epitaxially grow on MgO(111) substrates with two types of fcc(111) variants whose orientations are rotated around the film normal by 180 deg. each other. X-ray diffraction analysis indicates that the out-of-plane and the in-plane lattice spacings of these fcc-Py films agree within ±0.4% with the values of bulk fcc-Py crystal, suggesting that the strains in the films are very small. High-resolution transmission electron microscopy shows that periodical misfit dislocations are preferentially introduced in the films around the Py/MgO(100) and the Py/MgO(110) interfaces to reduce the lattice mismatches. The magnetic properties are considered to be reflecting the magnetocrystalline anisotropies of bulk fcc-Py and/or metastable hcp-Py crystals and the shape anisotropy caused by the surface undulations.

  7. Epitaxial Growth of Permalloy Thin Films on MgO Single-Crystal Substrates

    Energy Technology Data Exchange (ETDEWEB)

    Ohtake, Mitsuru; Tanaka, Takahiro; Matsubara, Katsuki; Futamoto, Masaaki [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Kirino, Fumiyoshi, E-mail: ohtake@futamoto.elect.chuo-u.ac.jp [Graduate School of Fine Arts, Tokyo National University of Fine Arts and Music, 12-8 Ueno-koen, Taito-ku, Tokyo 110-8714 (Japan)

    2011-07-06

    Permalloy (Py: Ni - 20 at. % Fe) thin films were prepared on MgO single-crystal substrates of (100), (110), and (111) orientations by molecular beam epitaxy. Py crystals consisting of fcc(100) and hcp(112-bar 0) orientations epitaxially nucleate on MgO(100) substrates. With increasing the substrate temperature, the volume ratio of fcc(100) to hcp(112-bar 0) crystal increases. The metastable hcp(112-bar 0) structure transforms into more stable fcc(110) structure with increasing the film thickness. Py(110){sub fcc} single-crystal films are obtained on MgO(110) substrates, whereas Py films epitaxially grow on MgO(111) substrates with two types of fcc(111) variants whose orientations are rotated around the film normal by 180 deg. each other. X-ray diffraction analysis indicates that the out-of-plane and the in-plane lattice spacings of these fcc-Py films agree within {+-}0.4% with the values of bulk fcc-Py crystal, suggesting that the strains in the films are very small. High-resolution transmission electron microscopy shows that periodical misfit dislocations are preferentially introduced in the films around the Py/MgO(100) and the Py/MgO(110) interfaces to reduce the lattice mismatches. The magnetic properties are considered to be reflecting the magnetocrystalline anisotropies of bulk fcc-Py and/or metastable hcp-Py crystals and the shape anisotropy caused by the surface undulations.

  8. Area of Lattice Polygons

    Science.gov (United States)

    Scott, Paul

    2006-01-01

    A lattice is a (rectangular) grid of points, usually pictured as occurring at the intersections of two orthogonal sets of parallel, equally spaced lines. Polygons that have lattice points as vertices are called lattice polygons. It is clear that lattice polygons come in various shapes and sizes. A very small lattice triangle may cover just 3…

  9. The sequence d(CGGCGGCCGC) self-assembles into a two dimensional rhombic DNA lattice

    International Nuclear Information System (INIS)

    Venkadesh, S.; Mandal, P.K.; Gautham, N.

    2011-01-01

    Highlights: → This is the first crystal structure of a four-way junction with sticky ends. → Four junction structures bind to each other and form a rhombic cavity. → Each rhombus binds to others to form 'infinite' 2D tiles. → This is an example of bottom-up fabrication of a DNA nano-lattice. -- Abstract: We report here the crystal structure of the partially self-complementary decameric sequence d(CGGCGGCCGC), which self assembles to form a four-way junction with sticky ends. Each junction binds to four others through Watson-Crick base pairing at the sticky ends to form a rhombic structure. The rhombuses bind to each other and form two dimensional tiles. The tiles stack to form the crystal. The crystal diffracted in the space group P1 to a resolution of 2.5 A. The junction has the anti-parallel stacked-X conformation like other junction structures, though the formation of the rhombic net noticeably alters the details of the junction geometry.

  10. Direct mapping of light propagation in photonic crystal waveguides

    DEFF Research Database (Denmark)

    Bozhevolnyi, S.I.; Volkov, V.S.; Arentoft, J.

    2002-01-01

    Using near-field optical microscopy, we directly map the propagation of light in the wavelength range of 1510-1560 nm along bent photonic crystal waveguides formed by removing a single row of holes in the triangular 400-nm-period lattice and connected to access ridge waveguides, the structure being...

  11. A stress field in the vortex lattice in the type-II superconductor

    Directory of Open Access Journals (Sweden)

    Maruszewski, Bogdan

    2008-02-01

    Full Text Available Magnetic flux can penetrate a type-II superconductor in the form of Abrikosov vortices (also called flux lines, flux tubes, or fluxons, each carrying a quantum of magnetic flux. These tiny vortices of supercurrent tend to arrange themselves in a triangular and/or quadratic flux-line lattice, which is more or less perturbed by material inhomogeneities that pin the flux lines. Pinning is caused by imperfections of the crystal lattice, such as dislocations, point defects, grain boundaries, etc. Hence, a honeycomb-like pattern of the vortex array presents some mechanical properties. If the Lorentz force of interactions between the vortices is much bigger than the pinning force, the vortex lattice behaves elastically. So we assume that the pinning force is negligible in the sequel and we deal with soft vortices. The vortex motion in the vortex lattice and/or creep of the vortices in the vortex fluid is accompanied by energy dissipation. Hence, except for the elastic properties, the vortex field is also of a viscous character. The main aim of the paper is a formulation of a thermoviscoelastic stress - strain constitutive law consisted of coexistence of the ordered and disordered states of the vortex field. Its form describes an auxetic-like thermomechanical (anomalous property of the vortex field.

  12. Lattice Symmetry and Identification-The Fundamental Role of Reduced Cells in Materials Characterization.

    Science.gov (United States)

    Mighell, A D

    2001-01-01

    In theory, physical crystals can be represented by idealized mathematical lattices. Under appropriate conditions, these representations can be used for a variety of purposes such as identifying, classifying, and understanding the physical properties of materials. Critical to these applications is the ability to construct a unique representation of the lattice. The vital link that enabled this theory to be realized in practice was provided by the 1970 paper on the determination of reduced cells. This seminal paper led to a mathematical approach to lattice analysis initially based on systematic reduction procedures and the use of standard cells. Subsequently, the process evolved to a matrix approach based on group theory and linear algebra that offered a more abstract and powerful way to look at lattices and their properties. Application of the reduced cell to both database work and laboratory research at NIST was immediately successful. Currently, this cell and/or procedures based on reduction are widely and routinely used by the general scientific community: (i) for calculating standard cells for the reporting of crystalline materials, (ii) for classifying materials, (iii) in crystallographic database work (iv) in routine x-ray and neutron diffractometry, and (v) in general crystallographic research. Especially important is its use in symmetry determination and in identification. The focus herein is on the role of the reduced cell in lattice symmetry determination.

  13. Topological features of engineered arrays of adsorbates in honeycomb lattices

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez-Arraga, Luis A., E-mail: ludovici83@gmail.com [IMDEA Nanociencia, Calle de Faraday, 9, Cantoblanco, 28049 Madrid (Spain); Lado, J.L. [International Iberian Nanotechnology Laboratory (INL), Av. Mestre Jose Veiga, 4715-330 Braga (Portugal); Guinea, Francisco [IMDEA Nanociencia, Calle de Faraday, 9, Cantoblanco, 28049 Madrid (Spain); School of Physics and Astronomy, University of Manchester, Oxford Road, Manchester M13 9PL (United Kingdom)

    2016-09-01

    Hydrogen adatoms are one of the most the promising proposals for the functionalization of graphene. The adatoms induce narrow resonances near the Dirac energy, which lead to the formation of magnetic moments. Furthermore, they also create local lattice distortions which enhance the spin–orbit coupling. The combination of magnetism and spin–orbit coupling allows for a rich variety of phases, some of which have non-trivial topological features. We analyze the interplay between magnetism and spin–orbit coupling in ordered arrays of adsorbates on honeycomb lattice monolayers, and classify the different phases that may arise. We extend our model to consider arrays of adsorbates in graphene-like crystals with stronger intrinsic spin–orbit couplings. We also consider a regime away from half-filling in which the Fermi level is at the bottom of the conduction band, we find a Berry curvature distribution corresponding to a Valley–Hall effect.

  14. Spatial filtering of light by chirped photonic crystals

    International Nuclear Information System (INIS)

    Staliunas, Kestutis; Sanchez-Morcillo, Victor J.

    2009-01-01

    We propose an efficient method for spatial filtering of light beams by propagating them through two-dimensional (also three dimensional) chirped photonic crystals, i.e., through the photonic structures with fixed transverse lattice period and with the longitudinal lattice period varying along the direction of the beam propagation. We prove the proposed idea by numerically solving the paraxial propagation equation in refraction-index-modulated media and we evaluate the efficiency of the process by harmonic-expansion analysis. The technique can be also applied for filtering (for cleaning) of the packages of atomic waves (Bose condensates), also to improve the directionality of acoustic and mechanical waves.

  15. Signature of crystal symmetry in positron annihilation data

    International Nuclear Information System (INIS)

    Adam, G.; Adam, S.

    1994-12-01

    While the technique of two-dimensional angular correlation of the electron-positron annihilation radiation (2D-ACAR) yields data in a reference frame related to detectors, data interpretation is made in a reference frame related to the crystal. The paper shows that consistent reformulation of the 2D-ACAR data in the crystal frame can be obtained from the knowledge of the signature of crystal symmetry (SCS) in the data. Derivation of the SCS over variations M-Umklapp areas of the reciprocal lattice from a rigorous definition also results in an improved a posteriori criterion concerning the twinned or untwinned nature of the crystal under investigation. The analysis of a c-projected 2D-ACAR spectrum on Y Ba 2 Cu 3 O 7-δ , accurately establishes the untwinned nature of the used crystals and yields better resolved Fermi surface ridge signatures at 2- and 3- Umklapp processes. (author). 32 refs, 4 figs, 2 tabs

  16. Plasmonic photonic crystals realized through DNA-programmable assembly.

    Science.gov (United States)

    Park, Daniel J; Zhang, Chuan; Ku, Jessie C; Zhou, Yu; Schatz, George C; Mirkin, Chad A

    2015-01-27

    Three-dimensional dielectric photonic crystals have well-established enhanced light-matter interactions via high Q factors. Their plasmonic counterparts based on arrays of nanoparticles, however, have not been experimentally well explored owing to a lack of available synthetic routes for preparing them. However, such structures should facilitate these interactions based on the small mode volumes associated with plasmonic polarization. Herein we report strong light-plasmon interactions within 3D plasmonic photonic crystals that have lattice constants and nanoparticle diameters that can be independently controlled in the deep subwavelength size regime by using a DNA-programmable assembly technique. The strong coupling within such crystals is probed with backscattering spectra, and the mode splitting (0.10 and 0.24 eV) is defined based on dispersion diagrams. Numerical simulations predict that the crystal photonic modes (Fabry-Perot modes) can be enhanced by coating the crystals with a silver layer, achieving moderate Q factors (∼10(2)) over the visible and near-infrared spectrum.

  17. Analysis of the crystal lattice instability for cage–cluster systems using the superatom model

    Energy Technology Data Exchange (ETDEWEB)

    Serebrennikov, D. A., E-mail: dserebrennikov@innopark.kantiana.ru, E-mail: dimafania@mail.ru; Clementyev, E. S. [I. Kant Baltic Federal University, “Functional Nanomaterials” Scientific–Educational Center (Russian Federation); Alekseev, P. A. [“Kurchatov Institute” National Research Center (Russian Federation)

    2016-09-15

    We have investigated the lattice dynamics for a number of rare-earth hexaborides based on the superatom model within which the boron octahedron is substituted by one superatom with a mass equal to the mass of six boron atoms. Phenomenological models have been constructed for the acoustic and lowenergy optical phonon modes in RB{sub 6} (R = La, Gd, Tb, Dy) compounds. Using DyB{sub 6} as an example, we have studied the anomalous softening of longitudinal acoustic phonons in several crystallographic directions, an effect that is also typical of GdB{sub 6} and TbB{sub 6}. The softening of the acoustic branches is shown to be achieved through the introduction of negative interatomic force constants between rare-earth ions. We discuss the structural instability of hexaborides based on 4f elements, the role of valence instability in the lattice dynamics, and the influence of the number of f electrons on the degree of softening of phonon modes.

  18. 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...

  19. Lattice Dynamics of Gallium Phosphide

    International Nuclear Information System (INIS)

    Yarnell, J.L.; Warren, J.L.; Wenzel, R.G.; Dean, P.J.

    1968-01-01

    Dispersion curves for phonons propagating in the [100], [110], and [111] directions in gallium phosphide have been measured using a triple-axis neutron diffraction spectrometer operating in the constant-Q mode. The sample was a pseudo-single crystal which was prepared by gluing together 36 single crystal plates of gallium phosphide 1 to 2.5 cm in diameter and ∼0.07 cm thick. The plates were grown epitaxially on substrates of gallium arsenide or gallium phosphide, and aligned individually by neutron diffraction. Rocking curves for eight reflections symmetrically distributed in the plane of the experiment had full widths at half maximum in the range 0.52° - 0.58° and were approximately Gaussian in shape. Gallium phosphide crystallizes in the zinc blende structure. A group theoretic analysis of the lattice dynamics of this structure and a shell model fit to the measured dispersion curves are presented. Various optical properties of gallium phosphide are discussed in terms of the phonon dispersion curves. In particular, the phonons which assist indirect electronic transitions are identified as those at the zone boundary in the [100] direction (symmetry point X) in agreement with theoretical and experimental indications that the extrema of the conduction and valence bands are at X and Γ (center of the zone), respectively. The LO branches lie above the TO branches throughout the Brillouin zone in contradiction to the predictions of Keyes and Mitra. The shell model fit indicates that the charge on the gallium atom is negative. (author)

  20. Combined measurement of surface, grain boundary and lattice diffusion coefficients on olivine bi-crystals

    Science.gov (United States)

    Marquardt, Katharina; Dohmen, Ralf; Wagner, Johannes

    2014-05-01

    Diffusion along interface and grain boundaries provides an efficient pathway and may control chemical transport in rocks as well as their mechanical strength. Besides the significant relevance of these diffusion processes for various geologic processes, experimental data are still very limited (e.g., Dohmen & Milke, 2010). Most of these data were measured using polycrystalline materials and the formalism of LeClaire (1951) to fit integrated concentration depth profiles. To correctly apply this formalism, certain boundary conditions of the diffusion problem need to be fulfilled, e.g., surface diffusion is ignored, and furthermore the lattice diffusion coefficient has to be known from other studies or is an additional fitting parameter, which produces some ambiguity in the derived grain boundary diffusion coefficients. We developed an experimental setup where we can measure the lattice and grain boundary diffusion coefficients simultaneously but independent and demonstrate the relevance of surface diffusion for typical grain boundary diffusion experiments. We performed Mg2SiO4 bicrystal diffusion experiments, where a single grain boundary is covered by a thin-film of pure Ni2SiO4 acting as diffusant source, produced by pulsed laser deposition. The investigated grain boundary is a 60° (011)/[100]. This specific grain boundary configuration was modeled using molecular dynamics for comparison with the experimental observations in the transmission electron microscope (TEM). Both, experiment and model are in good agreement regarding the misorientation, whereas there are still some disagreements regarding the strain fields along the grain boundary that are of outmost importance for the strengths of the material. The subsequent diffusion experiments were carried out in the temperature range between 800° and 1450° C. The inter diffusion profiles were measured using the TEMs energy dispersive x-ray spectrometer standardized using the Cliff-Lorimer equation and EMPA

  1. Models for mean bonding length, melting point and lattice thermal expansion of nanoparticle materials

    International Nuclear Information System (INIS)

    Omar, M.S.

    2012-01-01

    Graphical abstract: Three models are derived to explain the nanoparticles size dependence of mean bonding length, melting temperature and lattice thermal expansion applied on Sn, Si and Au. The following figures are shown as an example for Sn nanoparticles indicates hilly applicable models for nanoparticles radius larger than 3 nm. Highlights: ► A model for a size dependent mean bonding length is derived. ► The size dependent melting point of nanoparticles is modified. ► The bulk model for lattice thermal expansion is successfully used on nanoparticles. -- Abstract: A model, based on the ratio number of surface atoms to that of its internal, is derived to calculate the size dependence of lattice volume of nanoscaled materials. The model is applied to Si, Sn and Au nanoparticles. For Si, that the lattice volume is increases from 20 Å 3 for bulk to 57 Å 3 for a 2 nm size nanocrystals. A model, for calculating melting point of nanoscaled materials, is modified by considering the effect of lattice volume. A good approach of calculating size-dependent melting point begins from the bulk state down to about 2 nm diameter nanoparticle. Both values of lattice volume and melting point obtained for nanosized materials are used to calculate lattice thermal expansion by using a formula applicable for tetrahedral semiconductors. Results for Si, change from 3.7 × 10 −6 K −1 for a bulk crystal down to a minimum value of 0.1 × 10 −6 K −1 for a 6 nm diameter nanoparticle.

  2. Models for mean bonding length, melting point and lattice thermal expansion of nanoparticle materials

    Energy Technology Data Exchange (ETDEWEB)

    Omar, M.S., E-mail: dr_m_s_omar@yahoo.com [Department of Physics, College of Science, University of Salahaddin-Erbil, Arbil, Kurdistan (Iraq)

    2012-11-15

    Graphical abstract: Three models are derived to explain the nanoparticles size dependence of mean bonding length, melting temperature and lattice thermal expansion applied on Sn, Si and Au. The following figures are shown as an example for Sn nanoparticles indicates hilly applicable models for nanoparticles radius larger than 3 nm. Highlights: ► A model for a size dependent mean bonding length is derived. ► The size dependent melting point of nanoparticles is modified. ► The bulk model for lattice thermal expansion is successfully used on nanoparticles. -- Abstract: A model, based on the ratio number of surface atoms to that of its internal, is derived to calculate the size dependence of lattice volume of nanoscaled materials. The model is applied to Si, Sn and Au nanoparticles. For Si, that the lattice volume is increases from 20 Å{sup 3} for bulk to 57 Å{sup 3} for a 2 nm size nanocrystals. A model, for calculating melting point of nanoscaled materials, is modified by considering the effect of lattice volume. A good approach of calculating size-dependent melting point begins from the bulk state down to about 2 nm diameter nanoparticle. Both values of lattice volume and melting point obtained for nanosized materials are used to calculate lattice thermal expansion by using a formula applicable for tetrahedral semiconductors. Results for Si, change from 3.7 × 10{sup −6} K{sup −1} for a bulk crystal down to a minimum value of 0.1 × 10{sup −6} K{sup −1} for a 6 nm diameter nanoparticle.

  3. Counting in Lattices: Combinatorial Problems from Statistical Mechanics.

    Science.gov (United States)

    Randall, Dana Jill

    In this thesis we consider two classical combinatorial problems arising in statistical mechanics: counting matchings and self-avoiding walks in lattice graphs. The first problem arises in the study of the thermodynamical properties of monomers and dimers (diatomic molecules) in crystals. Fisher, Kasteleyn and Temperley discovered an elegant technique to exactly count the number of perfect matchings in two dimensional lattices, but it is not applicable for matchings of arbitrary size, or in higher dimensional lattices. We present the first efficient approximation algorithm for computing the number of matchings of any size in any periodic lattice in arbitrary dimension. The algorithm is based on Monte Carlo simulation of a suitable Markov chain and has rigorously derived performance guarantees that do not rely on any assumptions. In addition, we show that these results generalize to counting matchings in any graph which is the Cayley graph of a finite group. The second problem is counting self-avoiding walks in lattices. This problem arises in the study of the thermodynamics of long polymer chains in dilute solution. While there are a number of Monte Carlo algorithms used to count self -avoiding walks in practice, these are heuristic and their correctness relies on unproven conjectures. In contrast, we present an efficient algorithm which relies on a single, widely-believed conjecture that is simpler than preceding assumptions and, more importantly, is one which the algorithm itself can test. Thus our algorithm is reliable, in the sense that it either outputs answers that are guaranteed, with high probability, to be correct, or finds a counterexample to the conjecture. In either case we know we can trust our results and the algorithm is guaranteed to run in polynomial time. This is the first algorithm for counting self-avoiding walks in which the error bounds are rigorously controlled. This work was supported in part by an AT&T graduate fellowship, a University of

  4. A quantum-chemical study of oxygen-vacancy defects in PbTiO3 crystals

    International Nuclear Information System (INIS)

    Stashans, Arvids; Serrano, Sheyla; Medina, Paul

    2006-01-01

    Investigation of an oxygen vacancy and F center in the cubic and tetragonal lattices of PbTiO 3 crystals is done by means of quantum-chemical simulations. Displacements of defect-surrounding atoms, electronic and optical properties, lattice relaxation energies and some new effects due to the defects presence are reported and analyzed. A comparison with similar studies is made and conclusions are drawn on the basis of the obtained results

  5. Quantum Electric Dipole Lattice - Water Molecules Confined to Nanocavities in Beryl

    Science.gov (United States)

    Dressel, Martin; Zhukova, Elena S.; Thomas, Victor G.; Gorshunov, Boris P.

    2018-02-01

    Water is subject to intense investigations due to its importance in biological matter but keeps many of its secrets. Here, we unveil an even other aspect by confining H2O molecules to nanosize cages. Our THz and infrared spectra of water in the gemstone beryl evidence quantum tunneling of H2O molecules in the crystal lattice. The water molecules are spread out when confined in a nanocage. In combination with low-frequency dielectric measurements, we were also able to show that dipolar coupling among the H2O molecules leads towards a ferroelectric state at low temperatures. Upon cooling, a ferroelectric soft mode shifts through the THz range. Only quantum fluctuations prevent perfect macroscopic order to be fully achieved. Beside the significance to life science and possible application, nanoconfined water may become the prime example of a quantum electric dipolar lattice.

  6. Studying the properties of photonic quasi-crystals by the scaling convergence method

    International Nuclear Information System (INIS)

    Ho, I-Lin; Ng, Ming-Yaw; Mai, Chien Chin; Ko, Peng Yu; Chang, Yia-Chung

    2013-01-01

    This work introduces the iterative scaling (or inflation) method to systematically approach and analyse the infinite structure of quasi-crystals. The resulting structures preserve local geometric orderings in order to prevent artificial disclination across the boundaries of super-cells, with realistic quasi-crystals coming out under high iteration (infinite super-cell). The method provides an easy way for decorations of quasi-crystalline lattices, and for compact reliefs with a quasi-periodic arrangement to underlying applications. Numerical examples for in-plane and off-plane properties of square-triangle quasi-crystals show fast convergence during iteratively geometric scaling, revealing characteristics that do not appear on regular crystals. (paper)

  7. REVIEW: Optics of globular photonic crystals

    Science.gov (United States)

    Gorelik, V. S.

    2007-05-01

    The results of experimental and theoretical studies of the optical properties of globular photonic crystals - new physical objects having a crystal structure with the lattice period exceeding considerably the atomic size, are presented. As globular photonic crystals, artificial opal matrices consisting of close-packed silica globules of diameter ~200 nm were used. The reflection spectra of these objects characterising the parameters of photonic bands existing in these crystals in the visible spectral region are presented. The idealised models of the energy band structure of photonic crystals investigated in the review give analytic dispersion dependences for the group velocity and the effective photon mass in a globular photonic crystal. The characteristics of secondary emission excited in globular photonic crystals by monochromatic and broadband radiation are presented. The results of investigations of single-photon-excited delayed scattering of light observed in globular photonic crystals exposed to cw UV radiation and radiation from a repetitively pulsed copper vapour laser are presented. The possibilities of using globular photonic crystals as active media for lasing in different spectral regions are considered. It is proposed to use globular photonic crystals as sensitive sensors in optoelectronic devices for molecular analysis of organic and inorganic materials by the modern methods of laser spectroscopy. The results of experimental studies of spontaneous and stimulated globular scattering of light are discussed. The conditions for observing resonance and two-photon-excited delayed scattering of light are found. The possibility of accumulation and localisation of the laser radiation energy inside a globular photonic crystal is reported.

  8. X-ray diffraction measurements to determine longitudinal and transverse lattice deformation in shocked LiF

    International Nuclear Information System (INIS)

    Rigg, P.A.; Gupta, Y.M.

    2000-01-01

    Experimental methods using both single and multiple x-ray diffraction were developed to determine real time, lattice deformation in directions parallel and perpendicular to shock wave propagation in single crystals subjected to plate impact loading. Initial experiments used single diffraction to monitor the interplanar spacing change, parallel to the shock propagation direction, in LiF crystals shocked along the [111] and [100] directions. These measurements, in combination with the macroscopic volume compression, were used to determine the state of compression of the unit cell. Subsequent development of a multiple diffraction technique permitted simultaneous determination of both the longitudinal and transverse lattice deformations. The present results showed that shock compression, below 4 GPa, along the [111] orientation--which results in macroscopic elastic deformation - produced one-dimensional unit cell compression. In contrast, shock compression along the [100] orientation - which results in macroscopic elastic-plastic deformation--produced isotropic unit cell compression. The implications of the present results and the ability to make quantitative x-ray diffraction measurements under shock loading are discussed

  9. Energy flow in photonic crystal waveguides

    DEFF Research Database (Denmark)

    Søndergaard, Thomas; Dridi, Kim

    2000-01-01

    Theoretical and numerical investigations of energy flow in photonic crystal waveguides made of line defects and branching points are presented. It is shown that vortices of energy flow may occur, and the net energy flow along: the line defect is described via the effective propagation velocity....... Single-mode and multimode operations are studied, and dispersion relations are computed for different waveguide widths. Both strong positive, strong negative, and zero dispersion an possible. It is shown that geometric parameters such as the nature of the lattice, the line defect orientation, the defect...... width, and the branching-point geometry have a significant influence on the electrodynamics. These are important issues for the fabrication of photonic crystal structures....

  10. Preliminary morphological and X-ray diffraction studies of the crystals of the DNA cetyltrimethylammonium salt.

    Science.gov (United States)

    Osica, V D; Pyatigorskaya, T L; Polyvtsev, O F; Dembo, A T; Kliya, M O; Vasilchenko, V N; Verkin, B I; Sukharevskya, B Y

    1977-04-01

    Double-stranded DNA molecules (molecular weight 2.5 X 10(5) - 5 X 10(5) daltons) have been crystallized from water-salt solutions as cetyltrimethylammonium salts (CTA-DNA). Variation of crystallization conditions results in a production of different types of CTA-DNA crystals: spherulits, dendrites, needle-shaped and faceted rhombic crystals, the latter beeing up to 0.3 mm on a side. X-ray diffraction data indicate that DNA molecules in the crystals form a hexagonal lattice which parameters vary slightly with the morphological type of the crystal. Comparison of the melting curves of the DNA preparation before and after crystallization suggests that DNA molecules are partially fractionated in the course of crystallization. Crystals of the CTA-DNA-proflavine complex have also been obtained.

  11. New integrable lattice hierarchies

    International Nuclear Information System (INIS)

    Pickering, Andrew; Zhu Zuonong

    2006-01-01

    In this Letter we give a new integrable four-field lattice hierarchy, associated to a new discrete spectral problem. We obtain our hierarchy as the compatibility condition of this spectral problem and an associated equation, constructed herein, for the time-evolution of eigenfunctions. We consider reductions of our hierarchy, which also of course admit discrete zero curvature representations, in detail. We find that our hierarchy includes many well-known integrable hierarchies as special cases, including the Toda lattice hierarchy, the modified Toda lattice hierarchy, the relativistic Toda lattice hierarchy, and the Volterra lattice hierarchy. We also obtain here a new integrable two-field lattice hierarchy, to which we give the name of Suris lattice hierarchy, since the first equation of this hierarchy has previously been given by Suris. The Hamiltonian structure of the Suris lattice hierarchy is obtained by means of a trace identity formula

  12. Study of multiplet structures of Mn4+ activated in fluoride crystals

    International Nuclear Information System (INIS)

    Novita, Mega; Honma, Tetsuo; Hong, Byungchul; Ohishi, Atsushi; Ogasawara, Kazuyoshi

    2016-01-01

    We investigated the optical properties of Mn 4+ in some fluoride crystals such as Cs 2 MnF 6 , Cs 2 GeF 6 , Rb 2 GeF 6 , Cs 2 SiF 6 , K 2 SiF 6 , Rb 2 MnF 6 , Rb 2 SiF 6 , K 2 GeF 6 , K 2 TiF 6 , Li 2 MnF 6 , Na 2 GeF 6 , Na 2 SiF 6 , and Na 2 TiF 6 based on the first-principle calculation using the discrete-variational multi-electron method. In order to estimate the lattice relaxation, we performed EXAFS measurement of Mn 4+ doped in K 2 SiF 6 , K 2 TiF 6 , and K 2 GeF 6 . The relaxation rates of A 2 BF 6 :Mn 4+ were fixed to be the above estimated values, 102.24%, 107.37% or 96.80% for crystal having Si, Ge, or Ti at the B cation site, respectively. In this work, we also considered some corrections such as configuration dependent correction and correlation correction to improve the theoretical energies. It has been shown that to reproduce multiplet energy levels quantitatively, the lattice relaxation is very important. On the other hand, for a qualitative prediction of the tendencies of the multiplet energies, the combination of lattice relaxation effect, configuration dependent correction, and correlation correction is effective. - Highlights: • Multiplet structures of A 2 BF 6 :Mn 4+ were calculated from first-principles. • Lattice relaxation was estimated based on EXAFS experiment. • Lattice relaxation is important to reproduce multiplet energies quantitatively. • CDC and CC are important to reproduce tendencies of multiplet energies.

  13. Lattice gauge theories

    International Nuclear Information System (INIS)

    Creutz, M.

    1983-04-01

    In the last few years lattice gauge theory has become the primary tool for the study of nonperturbative phenomena in gauge theories. The lattice serves as an ultraviolet cutoff, rendering the theory well defined and amenable to numerical and analytical work. Of course, as with any cutoff, at the end of a calculation one must consider the limit of vanishing lattice spacing in order to draw conclusions on the physical continuum limit theory. The lattice has the advantage over other regulators that it is not tied to the Feynman expansion. This opens the possibility of other approximation schemes than conventional perturbation theory. Thus Wilson used a high temperature expansion to demonstrate confinement in the strong coupling limit. Monte Carlo simulations have dominated the research in lattice gauge theory for the last four years, giving first principle calculations of nonperturbative parameters characterizing the continuum limit. Some of the recent results with lattice calculations are reviewed

  14. Influence of index contrast in two dimensional photonic crystal lasers

    DEFF Research Database (Denmark)

    Jørgensen, Mette Marie; Petersen, Sidsel Rübner; Christiansen, Mads Brøkner

    2010-01-01

    The influence of index contrast variations for obtaining single-mode operation and low threshold in dye doped polymer two dimensional photonic crystal (PhC) lasers is investigated. We consider lasers made from Pyrromethene 597 doped Ormocore imprinted with a rectangular lattice PhC having a cavity...

  15. Epitaxial growth of fcc-CoxNi100-x thin films on MgO(110) single-crystal substrates

    International Nuclear Information System (INIS)

    Ohtake, Mitsuru; Nukaga, Yuri; Sato, Yoichi; Futamoto, Masaaki; Kirino, Fumiyoshi

    2009-01-01

    Co x Ni 100-x (x=100, 80, 20, 0 at. %) epitaxial thin films were prepared on MgO(110) single-crystal substrates heated at 300 deg. C by ultrahigh vacuum molecular beam epitaxy. The growth mechanism is discussed based on lattice strain and crystallographic defects. CoNi(110) single-crystal films with a fcc structure are obtained for all compositions. Co x Ni 100-x film growth follows the Volmer-Weber mode. X-ray diffraction analysis indicates that the out-of-plane and the in-plane lattice spacings of the Co x Ni 100-x films are in agreement within ±0.5% with the values of the respective bulk Co x Ni 100-x crystals, suggesting that the strain in the film is very small. High-resolution cross-sectional transmission microscopy shows that an atomically sharp boundary is formed between a Co(110) fcc film and a MgO(110) substrate, where periodical misfit dislocations are preferentially introduced in the film at the Co/MgO interface. The presence of such periodical misfit dislocations relieves the strain caused by the lattice mismatch between the film and the substrate.

  16. Structure analysis on synthetic emerald crystals

    Science.gov (United States)

    Lee, Pei-Lun; Lee, Jiann-Shing; Huang, Eugene; Liao, Ju-Hsiou

    2013-05-01

    Single crystals of emerald synthesized by means of the flux method were adopted for crystallographic analyses. Emerald crystals with a wide range of Cr3+-doping content up to 3.16 wt% Cr2O3 were examined by X-ray single crystal diffraction refinement method. The crystal structures of the emerald crystals were refined to R 1 (all data) of 0.019-0.024 and w R 2 (all data) of 0.061-0.073. When Cr3+ substitutes for Al3+, the main adjustment takes place in the Al-octahedron and Be-tetrahedron. The effect of substitution of Cr3+ for Al3+ in the beryl structure results in progressively lengthening of the Al-O distance, while the length of the other bonds remains nearly unchanged. The substitution of Cr3+ for Al3+ may have caused the expansion of a axis, while keeping the c axis unchanged in the emerald lattice. As a consequence, the Al-O-Si and Al-O-Be bonding angles are found to decrease, while the angle of Si-O-Be increases as the Al-O distance increases during the Cr replacement.

  17. Interstitial diffusion in crystal and the Moessbauer effect

    International Nuclear Information System (INIS)

    Dzyublik, A.Ya.

    1976-01-01

    The role of different vibrational states of a crystal is taken into account in the model of interstitial uncorrelated jumps. The relation of the diffusion coefficient for an interstitial with probabilities of jumps is found. The cross section for resonant absorption of γ-quanta by a nucleus of a diffusing atom in a crystal is calculated. The existence of vibrational levels is shown to lead to less broadening and intensity of the Moessbauer line than those predicted by the simple model of jumps. The absorption line shape for atom jumping through octahedral sites in bcc lattice is investigated [ru

  18. Regularities of recrystallization in rolled Zr single crystals

    International Nuclear Information System (INIS)

    Isaenkova, M; Perlovich, Yu; Fesenko, V; Krymskaya, O; Krapivka, N; Thu, S S

    2015-01-01

    Experiments by rolled single crystals give a more visible conception of the operating mechanisms of plastic deformation and the following recrystallization, than experiments by polycrystals. Studies by usage of X-ray diffraction methods were conducted by Zr single crystals. It was revealed, that regions of the α-Zr matrix, deformed mainly by twinning, are characterized with decreased tendency to recrystallization. Orientations of recrystallized α-Zr grains correspond to “slopes” of maxima in the rolling texture, where the level of crystalline lattice distortion is maximal and the number of recrystallization nuclei is most of all. (paper)

  19. Convection-diffusion lattice Boltzmann scheme for irregular lattices

    NARCIS (Netherlands)

    Sman, van der R.G.M.; Ernst, M.H.

    2000-01-01

    In this paper, a lattice Boltzmann (LB) scheme for convection diffusion on irregular lattices is presented, which is free of any interpolation or coarse graining step. The scheme is derived using the axioma that the velocity moments of the equilibrium distribution equal those of the

  20. A statistical approach for measuring dislocations in 2D photonic crystals

    DEFF Research Database (Denmark)

    Malureanu, Radu; Frandsen, Lars Hagedorn

    2008-01-01

    In this paper, a comparison between the placement accuracy of lattice atoms in photonic crystal structures fabricated with different lithographic techniques is made. Using atomic force microscopy measurements and self-developed algorithms for calculating the holes position within less than 0.01nm...

  1. Manipulation of hadron beams with bent crystals in circular accelerators

    CERN Document Server

    Rossi, R; Redaelli, S; Scandale, W

    2016-01-01

    Over the past years the understanding and use of coherent interactions of charged particles with ordered crystal lattices has achieved excellent results. Improving collimation of hadron beams in circular accelerators, like the Large Hadron Collider (LHC) of the European Council for Nuclear Research (CERN), it is one of the possible applications. The aim of the UA9 experiment is to demonstrate the feasibility of a two-stage collimation system in the CERN-SPS : the first stage is a bent crystal oriented for an optimal channeling of the incoming halo particles; the second stage is a massive absorber. Two crystals were installed in the LHC last year and a test of crystal assisted collimation at the highest energy will be possible as early as 2015. Finally, the UA9 Collaboration is investigating extraction of particles from a circular accelerator, based on bent crystals.

  2. The cone phase of liquid crystals: Triangular lattice of double-tilt ...

    Indian Academy of Sciences (India)

    (figure 3) and analyse the mechanism which stabilizes it. Liquid crystals are soft ... There is no change in the smectic layer spacing along .... with the case of blue phases of cubic symmetry where the pitch of the helix provides a natural length ...

  3. Lattices with unique complements

    CERN Document Server

    Saliĭ, V N

    1988-01-01

    The class of uniquely complemented lattices properly contains all Boolean lattices. However, no explicit example of a non-Boolean lattice of this class has been found. In addition, the question of whether this class contains any complete non-Boolean lattices remains unanswered. This book focuses on these classical problems of lattice theory and the various attempts to solve them. Requiring no specialized knowledge, the book is directed at researchers and students interested in general algebra and mathematical logic.

  4. Creep of crystals: High-temperature deformation processes in metals, ceramics and minerals

    Science.gov (United States)

    Poirier, J. P.

    An introductory text describing high-temperature deformation processes in metals, ceramics, and minerals is presented. Among the specific topics discussed are: the mechanical aspects of crystal deformation; lattice defects; and phenomenological and thermodynamical analysis of quasi-steady-state creep. Consideration is also given to: dislocation creep models; the effect of hydrostatic pressure on deformation; creep polygonization; and dynamic recrystallization. The status of experimental techniques for the study of transformation plasticity in crystals is also discussed.

  5. Quantum interference between two phonon paths and reduced heat transport in diamond lattice with atomic-scale planar defects

    Science.gov (United States)

    Kosevich, Yu. A.; Strelnikov, I. A.

    2018-02-01

    Destructive quantum interference between the waves propagating through laterally inhomogeneous layer can result in their total reflection, which in turn reduces energy flux carried by these waves. We consider the systems of Ge atoms, which fully or partly, in the chequer-wise order, fill a crystal plane in diamond-like Si lattice. We have revealed that a single type of the atomic defects, which are placed in identical positions in different unit cells in the defect crystal plane, can result in double transmission antiresonances of phonon wave packets. This new effect we relate with the complex structure of the diamond-like unit cell, which comprises two atoms in different positions and results in two distinct vibration resonances in two interfering phonon paths. We also consider the propagation of phonon wave packets in the superlatticies made of the defect planes, half-filled in the chequer-wise order with Ge atoms. We have revealed relatively broad phonon stop bands with center frequencies at the transmission antiresonances. We elaborate the equivalent analytical quasi-1D lattice model of the two phonon paths through the complex planar defect in the diamond-like lattice and describe the reduction of phonon heat transfer through the atomic-scale planar defects.

  6. The Lattice-Valued Turing Machines and the Lattice-Valued Type 0 Grammars

    Directory of Open Access Journals (Sweden)

    Juan Tang

    2014-01-01

    Full Text Available Purpose. The purpose of this paper is to study a class of the natural languages called the lattice-valued phrase structure languages, which can be generated by the lattice-valued type 0 grammars and recognized by the lattice-valued Turing machines. Design/Methodology/Approach. From the characteristic of natural language, this paper puts forward a new concept of the l-valued Turing machine. It can be used to characterize recognition, natural language processing, and dynamic characteristics. Findings. The mechanisms of both the generation of grammars for the lattice-valued type 0 grammar and the dynamic transformation of the lattice-valued Turing machines were given. Originality/Value. This paper gives a new approach to study a class of natural languages by using lattice-valued logic theory.

  7. Crystal lattice dependency of the free radicals found in irradiated glycine

    NARCIS (Netherlands)

    Bie, M.J.A. de; Braams, R.

    1969-01-01

    The EPR spectra, and hence the stable free radicals, are different for the - or γ-irradiated α-, β- and γ-crystal forms of polycrystalline glycone. Therefore comparisons of the trideutero-glycine EPR spectrum with the EPR spectra of non-deuterated glycine are open to question

  8. Crystal structure of the binder phase in a model HfC-TiC-Ni material

    International Nuclear Information System (INIS)

    Heiligers, Christiane; Neethling, Johannes H.

    2008-01-01

    The crystal structure of the binder phase in a model HfC-TiC-Ni sample produced by hot pressing is investigated. The nature of the binder depends on the amount of Hf and Ti that remains in solution with Ni after cooling. Four different crystal structures are identified by analysis of electron diffraction patterns obtained using transmission electron microscopy techniques and the composition of the phases determined by energy dispersive X-ray spectrometry. Three of the phases are cubic; Ni, Ni 3 (Ti,Hf) and Ni 23 (Ti,Hf) 6 with lattice parameters of 3.52 ± 0.05, 3.52 ± 0.03 and 10.70 ± 0.40 A, respectively. The hexagonal phase is an intermetallic Ni 3 Ti phase, with lattice parameters of a = b = 5.00 ± 0.20 A and c = 8.16 ± 0.20 A. The crystal structures are confirmed by simulations of the electron diffraction patterns using JEMS software

  9. Forming a three-dimensional porous organic network via solid-state explosion of organic single crystals.

    Science.gov (United States)

    Bae, Seo-Yoon; Kim, Dongwook; Shin, Dongbin; Mahmood, Javeed; Jeon, In-Yup; Jung, Sun-Min; Shin, Sun-Hee; Kim, Seok-Jin; Park, Noejung; Lah, Myoung Soo; Baek, Jong-Beom

    2017-11-17

    Solid-state reaction of organic molecules holds a considerable advantage over liquid-phase processes in the manufacturing industry. However, the research progress in exploring this benefit is largely staggering, which leaves few liquid-phase systems to work with. Here, we show a synthetic protocol for the formation of a three-dimensional porous organic network via solid-state explosion of organic single crystals. The explosive reaction is realized by the Bergman reaction (cycloaromatization) of three enediyne groups on 2,3,6,7,14,15-hexaethynyl-9,10-dihydro-9,10-[1,2]benzenoanthracene. The origin of the explosion is systematically studied using single-crystal X-ray diffraction and differential scanning calorimetry, along with high-speed camera and density functional theory calculations. The results suggest that the solid-state explosion is triggered by an abrupt change in lattice energy induced by release of primer molecules in the 2,3,6,7,14,15-hexaethynyl-9,10-dihydro-9,10-[1,2]benzenoanthracene crystal lattice.

  10. Additive lattice kirigami.

    Science.gov (United States)

    Castle, Toen; Sussman, Daniel M; Tanis, Michael; Kamien, Randall D

    2016-09-01

    Kirigami uses bending, folding, cutting, and pasting to create complex three-dimensional (3D) structures from a flat sheet. In the case of lattice kirigami, this cutting and rejoining introduces defects into an underlying 2D lattice in the form of points of nonzero Gaussian curvature. A set of simple rules was previously used to generate a wide variety of stepped structures; we now pare back these rules to their minimum. This allows us to describe a set of techniques that unify a wide variety of cut-and-paste actions under the rubric of lattice kirigami, including adding new material and rejoining material across arbitrary cuts in the sheet. We also explore the use of more complex lattices and the different structures that consequently arise. Regardless of the choice of lattice, creating complex structures may require multiple overlapping kirigami cuts, where subsequent cuts are not performed on a locally flat lattice. Our additive kirigami method describes such cuts, providing a simple methodology and a set of techniques to build a huge variety of complex 3D shapes.

  11. Engineering of CH 3 NH 3 PbI 3 Perovskite Crystals by Alloying Large Organic Cations for Enhanced Thermal Stability and Transport Properties

    KAUST Repository

    Peng, Wei; Miao, Xiaohe; Adinolfi, Valerio; Alarousu, Erkki; El Tall, Omar; Emwas, Abdul-Hamid M.; Zhao, Chao; Walters, Grant; Liu, Jiakai; Ouellette, Olivier; Pan, Jun; Banavoth, Murali; Sargent, Edward H.; Mohammed, Omar F.; Bakr, Osman

    2016-01-01

    The number of studies on organic–inorganic hybrid perovskites has soared in recent years. However, the majority of hybrid perovskites under investigation are based on a limited number of organic cations of suitable sizes, such as methylammonium and formamidinium. These small cations easily fit into the perovskite's three-dimensional (3D) lead halide framework to produce semiconductors with excellent charge transport properties. Until now, larger cations, such as ethylammonium, have been found to form 2D crystals with lead halide. Here we show for the first time that ethylammonium can in fact be incorporated coordinately with methylammonium in the lattice of a 3D perovskite thanks to a balance of opposite lattice distortion strains. This inclusion results in higher crystal symmetry, improved material stability, and markedly enhanced charge carrier lifetime. This crystal engineering strategy of balancing opposite lattice distortion effects vastly increases the number of potential choices of organic cations for 3D perovskites, opening up new degrees of freedom to tailor their optoelectronic and environmental properties.

  12. Monte Carlo study of alternate mixed spin-5/2 and spin-2 Ising ferrimagnetic system on the Bethe lattice

    Energy Technology Data Exchange (ETDEWEB)

    Jabar, A. [Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014 Rabat (Morocco); Masrour, R., E-mail: rachidmasrour@hotmail.com [Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014 Rabat (Morocco); Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, PB 63 46000 Safi (Morocco); Benyoussef, A. [Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014 Rabat (Morocco); Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Hassan II Academy of Science and Technology, Rabat (Morocco); Hamedoun, M. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco)

    2016-01-01

    The magnetic properties of alternate mixed spin-5/2 and spin-2 Ising model on the Bethe lattice have been studied by using the Monte Carlo simulations. The ground state phase diagrams of alternate mixed spin-5/2 and spin-2 Ising model on the Bethe lattice has been obtained. The thermal total magnetization and magnetization of spins-5/2 and spin-2 with the different exchange interactions, external magnetic field and temperatures have been studied. The critical temperature have been deduced. The magnetic hysteresis cycle on the Bethe lattice has been deduced for different values of exchange interactions, for different values of crystal field and for different sizes. The magnetic coercive field has been deduced. - Highlights: • The alternate mixed spin-5/2 and -2 on the Bethe lattice is studied. • The critical temperature has been deduced. • The magnetic coercive filed has been deduced.

  13. Monte Carlo Modeling of Crystal Channeling at High Energies

    CERN Document Server

    Schoofs, Philippe; Cerutti, Francesco

    Charged particles entering a crystal close to some preferred direction can be trapped in the electromagnetic potential well existing between consecutive planes or strings of atoms. This channeling effect can be used to extract beam particles if the crystal is bent beforehand. Crystal channeling is becoming a reliable and efficient technique for collimating beams and removing halo particles. At CERN, the installation of silicon crystals in the LHC is under scrutiny by the UA9 collaboration with the goal of investigating if they are a viable option for the collimation system upgrade. This thesis describes a new Monte Carlo model of planar channeling which has been developed from scratch in order to be implemented in the FLUKA code simulating particle transport and interactions. Crystal channels are described through the concept of continuous potential taking into account thermal motion of the lattice atoms and using Moliere screening function. The energy of the particle transverse motion determines whether or n...

  14. Crystal growth, characterization and theoretical studies of alkaline earth metal-doped tetrakis(thiourea)nickel(II) chloride.

    Science.gov (United States)

    Agilandeshwari, R; Muthu, K; Meenatchi, V; Meena, K; Rajasekar, M; Aditya Prasad, A; Meenakshisundaram, S P

    2015-02-25

    The influence of Sr(II)-doping on the properties of tetrakis(thiourea)nickel(II) chloride (TTNC) has been described. The reduction in the intensity observed in powder X-ray diffraction of doped specimen and slight shifts in vibrational frequencies of doped specimens confirm the lattice stress as a result of doping. Surface morphological changes due to doping of the Sr(II) are observed by scanning electron microscopy. The incorporation of metal into the host crystal lattice was confirmed by energy dispersive X-ray spectroscopy. Lattice parameters are determined by single crystal XRD analysis. The thermogravimetric and differential thermal analysis studies reveal the purity of the materials and no decomposition is observed up to the melting point. The nonlinear optical properties of the doped and undoped specimens were studied. Theoretical calculations were performed using the Density functional theory (DFT) method with B3LYP/LANL2DZ as the basis set. The molecular geometry and vibrational frequencies of TTNC in the ground state were calculated and the observed structural parameters of TTNC are compared with parameters obtained from single crystal X-ray studies. The atomic charge distributions are obtained by Mulliken charge population analysis. The first-order molecular hyperpolarizability, polarizability and dipole moment were derived. Copyright © 2014 Elsevier B.V. All rights reserved.

  15. Longitudinal disordering of vortex lattices in anisotropic superconductors

    International Nuclear Information System (INIS)

    Harshman, D.R.; Brandt, E.H.; Fiory, A.T.; Inui, M.; Mitzi, D.B.; Schneemeyer, L.F.; Waszczak, J.V.

    1993-01-01

    Vortex disordering in superconducting crystals is shown to be markedly sensitive to penetration-depth anisotropy. At low temperature and high magnetic field, the muon-spin-rotation spectra for the highly anisotropic Bi 2 Sr 2 CaCu 2 O 8+δ material are found to be anomalously narrow and symmetric about the applied field, in a manner consistent with a layered vortex sublattice structure with pinning-induced misalignment between layers. In contrast, spectra for the less-anisotropic YBa 2 Cu 3 O 7-δ compounds taken at comparable fields are broader and asymmetric, showing that the vortex lattices are aligned parallel to the applied-field direction

  16. Gallium arsenide single crystal solar cell structure and method of making

    Science.gov (United States)

    Stirn, Richard J. (Inventor)

    1983-01-01

    A production method and structure for a thin-film GaAs crystal for a solar cell on a single-crystal silicon substrate (10) comprising the steps of growing a single-crystal interlayer (12) of material having a closer match in lattice and thermal expansion with single-crystal GaAs than the single-crystal silicon of the substrate, and epitaxially growing a single-crystal film (14) on the interlayer. The material of the interlayer may be germanium or graded germanium-silicon alloy, with low germanium content at the silicon substrate interface, and high germanium content at the upper surface. The surface of the interface layer (12) is annealed for recrystallization by a pulsed beam of energy (laser or electron) prior to growing the interlayer. The solar cell structure may be grown as a single-crystal n.sup.+ /p shallow homojunction film or as a p/n or n/p junction film. A Ga(Al)AS heteroface film may be grown over the GaAs film.

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

    International Nuclear Information System (INIS)

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

    2016-01-01

    An empirically parameterized intermolecular force field is developed for crystal structure modelling and prediction. The model is optimized for use with an atomic multipole description of electrostatic interactions. 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%

  18. Plasmonic and Photonic Modes Excitation in Graphene on Silicon Photonic Crystal Membrane

    DEFF Research Database (Denmark)

    Andryieuski, Andrei; Gu, Tingyi; Hao, Yufeng

    . Being deposited on a silicon photonic crystal membrane graphene serves as a highly promising system for modern optoelectronics with rich variety of possible regimes. Depending on the relation between the photonic crystal lattice constant and wavelengths (plasmonic, photonic and free-space) we identify...... characterization. Measured data are well correlated with the numerical analysis. Combined graphene – silicon photonic crystal membranes can find applications for infrared absorbers, modulators, filters, sensors and photodetectors....... four different interaction schemes. We refer to them as metamaterial, plasmonic, photonic and diffraction grating regimes based on the principle character of light interactions with the graphene deposited on the Si photonic crystal membrane. The optimal configurations for resonant excitation of modes...

  19. Order–disorder phenomena in layered CuCrSe2 crystals

    International Nuclear Information System (INIS)

    Gagor, A.; Gnida, D.; Pietraszko, A.

    2014-01-01

    The thermal motion of Cu + ions in a quasi-two dimensional copper ion conductor CuCrSe 2 is studied in the vicinity of the order-disorder phase transition to superionic phase, basing on a single-crystal and powder X-ray diffraction, specific heat and electrical resistivity measurements. The copper ions gradually migrate with temperature decrease to empty tetrahedral sites reaching occupancy equilibrium in the disordered high-temperature phase at T s  = 365 K. The copper migration between Cuα and Cuβ tetrahedral sites occurs through the neighboring, face-sharing octahedral holes. Disorder of Cu + ions brings perturbations in periodic potential of the crystal lattice providing additional scattering centers for electrons. - Graphical abstract: Copper migration within α and β sites. - Highlights: • Single crystals of CuCrSe 2 have been grown by vapor transport. • Thermally activated motion of Cu + ions is analyzed from T = 295 up to 420 K. • An order–disorder phase transition at T s  = 365 K leads to fast ion conducting state. • Interplay between lattice vibrations and Se polarizability accounts for Cu + hops. • Electrical resistivity near the T s shows two additional scattering centers

  20. Anisotropic magnetocrystalline coupling of the skyrmion lattice in MnSi

    Science.gov (United States)

    Luo, Yongkang; Lin, Shi-Zeng; Fobes, D. M.; Liu, Zhiqi; Bauer, E. D.; Betts, J. B.; Migliori, A.; Thompson, J. D.; Janoschek, M.; Maiorov, B.

    2018-03-01

    We investigate the anisotropic nature of magnetocrystalline coupling between the crystallographic and skyrmion crystal (SKX) lattices in the chiral magnet MnSi by magnetic field-angle resolved resonant ultrasound spectroscopy. Abrupt changes are observed in the elastic moduli and attenuation when the magnetic field is parallel to the [011] crystallographic direction. These observations are interpreted in a phenomenological Ginzburg-Landau theory that identifies switching of the SKX orientation to be the result of an anisotropic magnetocrystalline coupling potential. Our paper sheds new light on the nature of magnetocrystalline coupling potential relevant to future spintronic applications.

  1. Correlation of the crystal orientation and electrical properties of silicon thin films on glass crystallized by line focus diode laser

    Energy Technology Data Exchange (ETDEWEB)

    Yun, J., E-mail: j.yun@unsw.edu.au [School of Photovoltaic and Renewable Energy Engineering, University of New South Wales, Sydney, NSW 2052 (Australia); Huang, J.; Teal, A. [School of Photovoltaic and Renewable Energy Engineering, University of New South Wales, Sydney, NSW 2052 (Australia); Kim, K. [School of Photovoltaic and Renewable Energy Engineering, University of New South Wales, Sydney, NSW 2052 (Australia); Suntech R& D Australia, Botany, NSW 2019 (Australia); Varlamov, S.; Green, M.A. [School of Photovoltaic and Renewable Energy Engineering, University of New South Wales, Sydney, NSW 2052 (Australia)

    2016-06-30

    In this work, crystallographic orientation of polycrystalline silicon films on glass formed by continuous wave diode laser crystallization was studied. Most of the grain boundaries were coincidence lattice Σ3 twin boundaries and other types of boundaries such as, Σ6, Σ9, and Σ21 were also frequently observed. The highest photoluminescence signal and mobility were observed for a grain with (100) orientation in the normal direction. X-ray diffraction results showed the highest occupancies between 41 and 70% along the (110) orientation. However, the highest occupancies changed to (100) orientation when a 100 nm thick SiO{sub x} capping layer was applied. Suns-Voc measurement and photoluminescence showed that higher solar cell performance is obtained from the cell crystallized with the capping layer, which is suspected from increased occupancies of (100) orientation. - Highlights: • Linear grains parallel to the scan direction formed with high density. • Σ3 coincidence lattice (CSL) boundaries found inside a grain • Grain boundaries exhibit various CSL boundaries such as Σ9, Σ18, and Σ27. • Grain with < 100 > orientation in normal direction showed highest electrical properties. • Improved voltage observed when percentage of < 100 > normal orientation is increased.

  2. Parylene-C microfibrous thin films as phononic crystals

    Science.gov (United States)

    Chindam, Chandraprakash; Lakhtakia, Akhlesh; Awadelkarim, Osama O.

    2017-07-01

    Phononic bandgaps of Parylene-C microfibrous thin films ( μ\\text{FTF} s) were computationally determined by treating them as phononic crystals comprising identical microfibers arranged either on a square or a hexagonal lattice. The microfibers could be columnar, chevronic, or helical in shape, and the host medium could be either water or air. All bandgaps were observed to lie in the 0.01-162.9-MHz regime, for microfibers of realistically chosen dimensions. The upper limit of the frequency of bandgaps was the highest for the columnar μ\\text{FTF} and the lowest for the chiral μ\\text{FTF} . More bandgaps exist when the host medium is water than air. Complete bandgaps were observed for the columnar μ\\text{FTF} with microfibers arranged on a hexagonal lattice in air, the chevronic μ\\text{FTF} with microfibers arranged on a square lattice in water, and the chiral μ\\text{FTF} with microfibers arranged on a hexagonal lattice in either air or water. The softness of the Parylene-C μ\\text{FTF} s makes them mechanically tunable, and their bandgaps can be exploited in multiband ultrasonic filters.

  3. Finite-lattice-spacing corrections to masses and g factors on a lattice

    International Nuclear Information System (INIS)

    Roskies, R.; Wu, J.C.

    1986-01-01

    We suggest an alternative method for extracting masses and g factors from lattice calculations. Our method takes account of more of the infrared and ultraviolet lattice effects. It leads to more reasonable results in simulations of QED on a lattice

  4. Sulfatide Preserves Insulin Crystals Not by Being Integrated in the Lattice but by Stabilizing Their Surface

    DEFF Research Database (Denmark)

    Buschard, Karsten; Bracey, Austin W.; McElroy, Daniel L.

    2016-01-01

    Background. Sulfatide is known to chaperone insulin crystallization within the pancreatic beta cell, but it is not known if this results from sulfatide being integrated inside the crystal structure or by binding the surface of the crystal. With this study, we aimed to characterize the molecular m...

  5. Crystal structure and packing analysis of nitrofurantoin N,N-dimethylformamide solvate

    Energy Technology Data Exchange (ETDEWEB)

    Cvetkovski, A., E-mail: aleksandar.cvetkovski@ugd.edu.mk [University Goce Delcev, Faculty of Medical Sciences, Krste Misirkov bb (Macedonia, The Former Yugoslav Republic of); Ferretti, V. [University of Ferrara, Department of Chemical and Pharmaceutical Sciences (Italy)

    2016-07-15

    The N, N′-dimethylformamide solvated crystal of the drug nitrofurantoin has been prepared and analysed by single-crystal X-ray diffraction. The two co-crystallized molecules, in the 1 : 1 stoichiometric ratio, are linked by a medium/strong N–H···O hydrogen bond (N···O is 2.759 (3) Å) and a weaker C–H···O interaction to form isolated supramolecular adducts, that in turn are packed into the lattice framework mainly through C–H···O hydrogen bonds. Two-dimensional fingerprint plots of Hirshfeld surfaces are used to visualize, analyze and compare intermolecular interactions found in the title compound and in similar structures.

  6. Spin and lattice structures of single-crystalline SrFe2As2

    Science.gov (United States)

    Zhao, Jun; Ratcliff, W., II; Lynn, J. W.; Chen, G. F.; Luo, J. L.; Wang, N. L.; Hu, Jiangping; Dai, Pengcheng

    2008-10-01

    We use neutron scattering to study the spin and lattice structure of single-crystal SrFe2As2 , the parent compound of the FeAs-based superconductor (Sr,K)Fe2As2 . We find that SrFe2As2 exhibits an abrupt structural phase transition at 220 K, where the structure changes from tetragonal with lattice parameters c>a=b to orthorhombic with c>a>b . At almost the same temperature, Fe spins develop a collinear antiferromagnetic structure along the orthorhombic a axis with spin direction parallel to this a axis. These results are consistent with earlier work on the RFeAsO ( R=rare earth) families of materials and on BaFe2As2 , and therefore suggest that static antiferromagnetic order is ubiquitous for the parent compounds of these FeAs-based high-transition temperature superconductors.

  7. Topological Valley Transport in Two-dimensional Honeycomb Photonic Crystals.

    Science.gov (United States)

    Yang, Yuting; Jiang, Hua; Hang, Zhi Hong

    2018-01-25

    Two-dimensional photonic crystals, in analogy to AB/BA stacking bilayer graphene in electronic system, are studied. Inequivalent valleys in the momentum space for photons can be manipulated by simply engineering diameters of cylinders in a honeycomb lattice. The inequivalent valleys in photonic crystal are selectively excited by a designed optical chiral source and bulk valley polarizations are visualized. Unidirectional valley interface states are proved to exist on a domain wall connecting two photonic crystals with different valley Chern numbers. With the similar optical vortex index, interface states can couple with bulk valley polarizations and thus valley filter and valley coupler can be designed. Our simple dielectric PC scheme can help to exploit the valley degree of freedom for future optical devices.

  8. Application of Powder Diffraction Methods to the Analysis of the Atomic Structure of Nanocrystals: The Concept of the Apparent Lattice Parameter (ALP)

    Science.gov (United States)

    Palosz, B.; Grzanka, E.; Gierlotka, S.; Stelmakh, S.; Pielaszek, R.; Bismayer, U.; Weber, H.-P.; Palosz, W.; Curreri, Peter A. (Technical Monitor)

    2002-01-01

    The applicability of standard methods of elaboration of powder diffraction data for determination of the structure of nano-size crystallites is analysed. Based on our theoretical calculations of powder diffraction data we show, that the assumption of the infinite crystal lattice for nanocrystals smaller than 20 nm in size is not justified. Application of conventional tools developed for elaboration of powder diffraction data, like the Rietveld method, may lead to erroneous interpretation of the experimental results. An alternate evaluation of diffraction data of nanoparticles, based on the so-called 'apparent lattice parameter' (alp) is introduced. We assume a model of nanocrystal having a grain core with well-defined crystal structure, surrounded by a surface shell with the atomic structure similar to that of the core but being under a strain (compressive or tensile). The two structural components, the core and the shell, form essentially a composite crystal with interfering, inseparable diffraction properties. Because the structure of such a nanocrystal is not uniform, it defies the basic definitions of an unambiguous crystallographic phase. Consequently, a set of lattice parameters used for characterization of simple crystal phases is insufficient for a proper description of the complex structure of nanocrystals. We developed a method of evaluation of powder diffraction data of nanocrystals, which refers to a core-shell model and is based on the 'apparent lattice parameter' methodology. For a given diffraction pattem, the alp values are calculated for every individual Bragg reflection. For nanocrystals the alp values depend on the diffraction vector Q. By modeling different a0tomic structures of nanocrystals and calculating theoretically corresponding diffraction patterns using the Debye functions we showed, that alp-Q plots show characteristic shapes which can be used for evaluation of the atomic structure of the core-shell system. We show, that using a simple

  9. Lattices for laymen: a non-specialist's introduction to lattice gauge theory

    International Nuclear Information System (INIS)

    Callaway, D.J.E.

    1985-01-01

    The review on lattice gauge theory is based upon a series of lectures given to the Materials Science and Technology Division at Argonne National Laboratory. Firstly the structure of gauge theories in the continuum is discussed. Then the lattice formulation of these theories is presented, including quantum electrodynamics and non-abelian lattice gauge theories. (U.K.)

  10. Single crystal growth and low-temperature properties of Er{sub 3}Al{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Suttner, Christian; Benka, Georg; Bauer, Andreas; Pfleiderer, Christian [Physik Department, Technische Universitaet Muenchen, D-85748 Garching (Germany)

    2016-07-01

    In recent years, topologically non-trivial spin whirls in condensed matter systems attracted great scientific interest. Lattices of these objects, so-called magnetic skyrmion lattices, were mainly observed in Dzyaloshinskii-Moriya driven chiral magnets with the non-centrosymmetric cubic space group P2{sub 1}3. Similar spin textures, however, may in principle also arise in a large number of further compounds. We report single-crystal growth of Er{sub 3}Al{sub 2} crystallizing in the tetragonal space group P4{sub 2}/mnm by means of optical float zoning under UHV-compatible conditions. We determined the magnetic phase diagram for fields applied along different crystallographic directions using magnetization, ac susceptibility, and specific heat measurements. Several phase pockets are observed below the Neel temperature T{sub N} = 27 K, consistent with earlier reports.

  11. Lattice Location of Radioactive Probes in Semiconductors and Metals by Electron and Positron Channelling

    CERN Multimedia

    2002-01-01

    The channelling effect of decay-electrons and positrons is used for the localization of radioactive impurities implanted into single crystals. Because of the low implantation doses and the variety of different isotopes available at ISOLDE, this technique is especially suited for applications in semiconducting materials. \\\\ \\\\ Channelling measurements in Si, GaAs and GaP implanted with In-, Cd- and Xe-isotopes have demonstrated that impurity lattice sites can be studied directly after implantation without any annealing. The electron-channelling technique can be ideally combined with hyperfine interaction techniques like Moessbauer s This was shown for the formation of In-vacancy complexes in ion-implanted Ni. \\\\ \\\\ We intend to continue the lattice location measurements in semiconductors implanted with various radioactive impurities of Cd, In, Sn, Sb and Te.

  12. Lattice QCD on fine lattices

    Energy Technology Data Exchange (ETDEWEB)

    Schaefer, Stefan [DESY (Germany). Neumann Inst. for Computing

    2016-11-01

    These configurations are currently in use in many on-going projects carried out by researchers throughout Europe. In particular this data will serve as an essential input into the computation of the coupling constant of QCD, where some of the simulations are still on-going. But also projects computing the masses of hadrons and investigating their structure are underway as well as activities in the physics of heavy quarks. As this initial project of gauge field generation has been successful, it is worthwhile to extend the currently available ensembles with further points in parameter space. These will allow to further study and control systematic effects like the ones introduced by the finite volume, the non-physical quark masses and the finite lattice spacing. In particular certain compromises have still been made in the region where pion masses and lattice spacing are both small. This is because physical pion masses require larger lattices to keep the effects of the finite volume under control. At light pion masses, a precise control of the continuum extrapolation is therefore difficult, but certainly a main goal of future simulations. To reach this goal, algorithmic developments as well as faster hardware will be needed.

  13. Magnon and phonon dispersion, lifetime, and thermal conductivity of iron from spin-lattice dynamics simulations

    Science.gov (United States)

    Wu, Xufei; Liu, Zeyu; Luo, Tengfei

    2018-02-01

    In recent years, the fundamental physics of spin-lattice (e.g., magnon-phonon) interaction has attracted significant experimental and theoretical interests given its potential paradigm-shifting impacts in areas like spin-thermoelectrics, spin-caloritronics, and spintronics. Modelling studies of the transport of magnons and phonons in magnetic crystals are very rare. In this paper, we use spin-lattice dynamics (SLD) simulations to model ferromagnetic crystalline iron, where the spin and lattice systems are coupled through the atomic position-dependent exchange function, and thus the interaction between magnons and phonons is naturally considered. We then present a method combining SLD simulations with spectral energy analysis to calculate the magnon and phonon harmonic (e.g., dispersion, specific heat, and group velocity) and anharmonic (e.g., scattering rate) properties, based on which their thermal conductivity values are calculated. This work represents an example of using SLD simulations to understand the transport properties involving coupled magnon and phonon dynamics.

  14. Computational study on potassium picrate crystal

    Energy Technology Data Exchange (ETDEWEB)

    Ju, Xue-Hai; Lu, Ya-Lin; Ma, Xiu-Fang; Xiao, He-Ming [Department of Chemistry, Nanjing University of Science and Technology, Nanjing, 210094 (China)

    2006-08-15

    DFT calculation at the B3LYP level was performed on crystalline potassium picrate. The frontier bands are slightly fluctuant. The energy gap between the highest occupied crystal orbital (HOCO) and the lowest unoccupied crystal orbital (LUCO) is 0.121 a.u. (3.29 eV). The carbon atoms that are connected with the nitro groups make up the narrow lower energy bands, with small contributions from nitro oxygen and phenol oxygen. The higher energy bands consist of orbitals from the nitro groups and carbon atom. The potassium bears almost 1 a.u. positive charge. The potassium forms ionic bonding with the phenol oxygen and the nitro oxygen at the same time. The crystal lattice energy is predicted to be -574.40 kJ/mol at the B3LYP level determined with the effective core pseudopotential HAYWSC-31G basis set for potassium and 6-31G** basis set for other atoms. (Abstract Copyright [2006], Wiley Periodicals, Inc.)

  15. Properties of melt-grown single crystals of 'YB/sub 68/'

    Energy Technology Data Exchange (ETDEWEB)

    Slack, G A; Oliver, D W; Brower, G D; Young, J D [General Electric Co., Schenectady, N.Y. (USA). Research and Development Center

    1977-01-01

    Single crystals of yttrium boride YB/sub n/ with n = 61 +- 3 were grown from the melt. Precision density and lattice parameter measurements indicate a congruent melting point at n = 61.7 and a stoichiometric composition at n = 68. Measurements of elastic constants, acoustic attenuation, electrical resistivity and optical absorption are presented. High resolution transmission electron microscopy reveals a complex crystal structure similar to that found by using X-rays. A comparison of the properties of YB/sub n/ with those of ..beta..-boron show that there are many similarities.

  16. Photonic and Plasmonic Guided Modes in Graphene-Silicon Photonic Crystals

    DEFF Research Database (Denmark)

    Gu, Tingyi; Andryieuski, Andrei; Hao, Yufeng

    2015-01-01

    We report the results of systematic studies of plasmonic and photonic guided modes in large-area single-layer graphene integrated into a nanostructured silicon substrate. The interaction of light with graphene and substrate photonic crystals can be classified in distinct regimes depending......, filters, sensors, and photodetectors utilizing silicon photonic platforms....... on the relation of the photonic crystal lattice constant and the relevant modal wavelengths, that is, plasmonic, photonic, and free-space. By optimizing the design of the substrate, these resonant modes can increase the absorption of graphene in the infrared, facilitating enhanced performance of modulators...

  17. The effect of lattice misfit on the dislocation motion in superalloys during high-temperature low-stress creep

    International Nuclear Information System (INIS)

    Zhang, J.X.; Wang, J.C.; Harada, H.; Koizumi, Y.

    2005-01-01

    The development of dislocation configurations in two single-crystal superalloys during high-temperature low-stress creep (1100 deg C, 137 MPa) was investigated with the use of transmission electron microscopy. Detailed analysis showed that the lattice misfit has an important influence on the dislocation movement. For an alloy with a large negative lattice misfit, the dislocations are able to move smoothly by cross-slip in the horizontal γ channels. During subsequent formation of γ/γ' rafted structure, the dislocations on the surface of γ' cuboids rapidly re-orientate themselves from to direction and form a complete network. For an alloy with a small lattice misfit, the dislocations move by the combination of climbing and gliding processes, and the resultant γ/γ' interfacial dislocation network is incomplete. A good explanation of the creep curves is obtained from these differences in the microstructures

  18. Machine learning for the structure-energy-property landscapes of molecular crystals.

    Science.gov (United States)

    Musil, Félix; De, Sandip; Yang, Jack; Campbell, Joshua E; Day, Graeme M; Ceriotti, Michele

    2018-02-07

    Molecular crystals play an important role in several fields of science and technology. They frequently crystallize in different polymorphs with substantially different physical properties. To help guide the synthesis of candidate materials, atomic-scale modelling can be used to enumerate the stable polymorphs and to predict their properties, as well as to propose heuristic rules to rationalize the correlations between crystal structure and materials properties. Here we show how a recently-developed machine-learning (ML) framework can be used to achieve inexpensive and accurate predictions of the stability and properties of polymorphs, and a data-driven classification that is less biased and more flexible than typical heuristic rules. We discuss, as examples, the lattice energy and property landscapes of pentacene and two azapentacene isomers that are of interest as organic semiconductor materials. We show that we can estimate force field or DFT lattice energies with sub-kJ mol -1 accuracy, using only a few hundred reference configurations, and reduce by a factor of ten the computational effort needed to predict charge mobility in the crystal structures. The automatic structural classification of the polymorphs reveals a more detailed picture of molecular packing than that provided by conventional heuristics, and helps disentangle the role of hydrogen bonded and π-stacking interactions in determining molecular self-assembly. This observation demonstrates that ML is not just a black-box scheme to interpolate between reference calculations, but can also be used as a tool to gain intuitive insights into structure-property relations in molecular crystal engineering.

  19. Elastic neutron diffraction study of transforming and non-transforming single crystal ZrV2

    International Nuclear Information System (INIS)

    Bostock, J.; Wong, M.; MacVicar, M.L.A.; Levinson, M.

    1980-01-01

    The mosaic spread of single crystal ZrV 2 is unusually narrow, approx. 1' from room temperature to 130K. For non-transforming perfect single crystal the mosaic gradually increases to approx. 1.86' at 4.2K; for transforming, twinned single crystal the room temperature mosaic is maintained to 110K, then increases to 2.76' at 94K when the crystal transforms to a mixed cubic (30%) and rhombohedral state (70%). The onset of the electronic instability (approx. 100K) is accompanied by an increase in diffuse scattering background which, for the twinned crystal, peaks at the structural transformation. The electronic instability coupled to the localized lattice stress appears to be the driving mechanism for the transformation

  20. 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 ...