Sample records for single crystal organic

  1. Neutron detection with single crystal organic scintillators

    Energy Technology Data Exchange (ETDEWEB)

    Zaitseva, N; Newby, J; Hamel, S; Carman, L; Faust, M; Lordi, V; Cherepy, N; Stoeffl, W; Payne, S


    Detection of high-energy neutrons in the presence of gamma radiation background utilizes pulse-shape discrimination (PSD) phenomena in organics studied previously only with limited number of materials, mostly liquid scintillators and single crystal stilbene. The current paper presents the results obtained with broader varieties of luminescent organic single crystals. The studies involve experimental tools of crystal growth and material characterization in combination with the advanced computer modeling, with the final goal of better understanding the relevance between the nature of the organic materials and their PSD properties. Special consideration is given to the factors that may diminish or even completely obscure the PSD properties in scintillating crystals. Among such factors are molecular and crystallographic structures that determine exchange coupling and exciton mobility in organic materials and the impurity effect discussed on the examples of trans-stilbene, bibenzyl, 9,10-diphenylanthracene and diphenylacetylene.

  2. Ordered macro-microporous metal-organic framework single crystals (United States)

    Shen, Kui; Zhang, Lei; Chen, Xiaodong; Liu, Lingmei; Zhang, Daliang; Han, Yu; Chen, Junying; Long, Jilan; Luque, Rafael; Li, Yingwei; Chen, Banglin


    We constructed highly oriented and ordered macropores within metal-organic framework (MOF) single crystals, opening up the area of three-dimensional–ordered macro-microporous materials (that is, materials containing both macro- and micropores) in single-crystalline form. Our methodology relies on the strong shaping effects of a polystyrene nanosphere monolith template and a double-solvent–induced heterogeneous nucleation approach. This process synergistically enabled the in situ growth of MOFs within ordered voids, rendering a single crystal with oriented and ordered macro-microporous structure. The improved mass diffusion properties of such hierarchical frameworks, together with their robust single-crystalline nature, endow them with superior catalytic activity and recyclability for bulky-molecule reactions, as compared with conventional, polycrystalline hollow, and disordered macroporous ZIF-8.

  3. Ordered macro-microporous metal-organic framework single crystals

    KAUST Repository

    Shen, Kui


    We constructed highly oriented and ordered macropores within metal-organic framework (MOF) single crystals, opening up the area of three-dimensional-ordered macro-microporous materials (that is, materials containing both macro- and micropores) in single-crystalline form. Our methodology relies on the strong shaping effects of a polystyrene nanosphere monolith template and a double-solvent-induced heterogeneous nucleation approach. This process synergistically enabled the in situ growth of MOFs within ordered voids, rendering a single crystal with oriented and ordered macro-microporous structure. The improved mass diffusion properties of such hierarchical frameworks, together with their robust single-crystalline nature, endow them with superior catalytic activity and recyclability for bulky-molecule reactions, as compared with conventional, polycrystalline hollow, and disordered macroporous ZIF-8.

  4. Studies on growth, crystal structure and characterization of novel organic nicotinium trifluoroacetate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Dhanaraj, P.V. [Centre for Crystal Growth, SSN College of Engineering, Kalavakkam 603 110 (India); Rajesh, N.P., E-mail: [Centre for Crystal Growth, SSN College of Engineering, Kalavakkam 603 110 (India); Sundar, J. Kalyana; Natarajan, S. [Department of Physics, Madurai Kamaraj University, Madurai 625 021 (India); Vinitha, G. [Department of Physics, Crescent Engineering College, Chennai 600 048 (India)


    Highlights: {yields} Good quality crystals of nicotinium trifluoroacetate in monoclinic system were grown for first time. {yields} Nicotinium trifluoroacetate crystal exhibits third order nonlinear optical properties. {yields} The optical spectrum of nicotinium trifluoroacetate crystal reveals the wide transmission in the entire range with cutoff wavelength at 286 nm. {yields} Nicotinium trifluoroacetate is a low dielectric constant material. - Abstract: An organic material, nicotinium trifluoroacetate (NTF) was synthesized and single crystals in monoclinic system were grown from aqueous solution for the first time. Its solubility and metastable zone width were estimated. The crystal structure of NTF was analyzed to reveal the molecular arrangements and the formation of hydrogen bonds in the crystal. High-resolution X-ray diffraction rocking curve measurements were performed to analyze the structural perfection of the grown crystals. Functional groups in NTF were identified by Fourier transform infrared spectral analysis. Thermal behaviour and stability of NTF were studied by thermogravimetric and differential thermal analysis and differential scanning calorimetry. Mechanical and dielectric properties of NTF crystals were analyzed. Optical studies reveal that NTF crystals are transparent in the wavelength range 286-1100 nm. The third order nonlinear optical parameters of NTF were derived by the Z-scan technique.

  5. Charged-particle spectroscopy in organic semiconducting single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Ciavatti, A.; Basiricò, L.; Fraboni, B. [Department of Physics and Astronomy, University of Bologna, Viale Berti Pichat 6/2, 40127 Bologna (Italy); Sellin, P. J. [Department of Physics, University of Surrey, Guildford, Surrey GU2 7XH (United Kingdom); Fraleoni-Morgera, A. [ELETTRA-Sincrotrone Trieste, Strada Statale 14, Km 163.5, Basovizza, Trieste (Italy); Department of Engineering and Architecture, University of Trieste, V. Valerio 10, 34100 Trieste (Italy); CNR-Nano S3 Institute, Via Campi 213/A, 41125 Modena (Italy)


    The use of organic materials as radiation detectors has grown, due to the easy processability in liquid phase at room temperature and the possibility to cover large areas by means of low cost deposition techniques. Direct charged-particle detectors based on solution-grown Organic Semiconducting Single Crystals (OSSCs) are shown to be capable to detect charged particles in pulse mode, with very good peak discrimination. The direct charged-particle detection in OSSCs has been assessed both in the planar and in the vertical axes, and a digital pulse processing algorithm has been used to perform pulse height spectroscopy and to study the charge collection efficiency as a function of the applied bias voltage. Taking advantage of the charge spectroscopy and the good peak discrimination of pulse height spectra, an Hecht-like behavior of OSSCs radiation detectors is demonstrated. It has been possible to estimate the mobility-lifetime value in organic materials, a fundamental parameter for the characterization of radiation detectors, whose results are equal to μτ{sub coplanar} = (5 .5 ± 0.6 ) × 10{sup −6} cm{sup 2}/V and μτ{sub sandwich} = (1 .9 ± 0.2 ) × 10{sup −6} cm{sup 2}/V, values comparable to those of polycrystalline inorganic detectors. Moreover, alpha particles Time-of-Flight experiments have been carried out to estimate the drift mobility value. The results reported here indicate how charged-particle detectors based on OSSCs possess a great potential as low-cost, large area, solid-state direct detectors operating at room temperature. More interestingly, the good detection efficiency and peak discrimination observed for charged-particle detection in organic materials (hydrogen-rich molecules) are encouraging for their further exploitation in the detection of thermal and high-energy neutrons.

  6. Growth of bulk single crystals of organic materials for nonlinear optical devices - An overview (United States)

    Penn, Benjamin G.; Cardelino, Beatriz H.; Moore, Craig E.; Shields, Angela W.; Frazier, D. O.


    Highly perfect single crystals of nonlinear optical organic materials are required for use in optical devices. An overview of the bulk crystal growth of these materials by melt, vapor, and solution processes is presented. Additionally, methods that may be used to purify starting materials, detect impurities at low levels, screen materials for crystal growth, and process grown crystals are discussed.

  7. A preliminary review of organic materials single crystal growth by the Czochralski technique (United States)

    Penn, B. G.; Shields, A. W.; Frazier, D. O.


    The growth of single crystals of organic compounds by the Czochralski method is reviewed. From the literature it is found that single crystals of benzil, a nonlinear optical material with a d sub 11 value of 11.2 + or - 1.5 x d sub 11 value of alpha quartz, has fewer dislocations than generally contained in Bridgman crystals. More perfect crystals were grown by repeated Czochralski growth. This consists of etching away the defect-containing portion of a Czochralski grown crystal and using it as a seed for further growth. Other compounds used to grow single crystals are benzophenone, 12-tricosanone (laurone), and salol. The physical properties, growth apparatus, and processing conditions presented in the literature are discussed. Moreover, some of the possible advantages of growing single crystals of organic compounds in microgravity to obtain more perfect crystals than on Earth are reviewed.


    Energy Technology Data Exchange (ETDEWEB)

    Teague, L


    We report scanning Kelvin probe microscopy (SKPM) of single crystal difluoro bis(triethylsilylethynyl) anthradithiophene (diF-TESADT) organic transistors. SKPM provides a direct measurement of the intrinsic charge transport in the crystals independent of contact effects and reveals that degradation of device performance occurs over a time period of minutes as the diF-TESADT crystal becomes charged.

  9. Mixed crystal organic scintillators

    Energy Technology Data Exchange (ETDEWEB)

    Zaitseva, Natalia P; Carman, M Leslie; Glenn, Andrew M; Hamel, Sebastien; Hatarik, Robert; Payne, Stephen A; Stoeffl, Wolfgang


    A mixed organic crystal according to one embodiment includes a single mixed crystal having two compounds with different bandgap energies, the organic crystal having a physical property of exhibiting a signal response signature for neutrons from a radioactive source, wherein the signal response signature does not include a significantly-delayed luminescence characteristic of neutrons interacting with the organic crystal relative to a luminescence characteristic of gamma rays interacting with the organic crystal. According to one embodiment, an organic crystal includes bibenzyl and stilbene or a stilbene derivative, the organic crystal having a physical property of exhibiting a signal response signature for neutrons from a radioactive source.

  10. Multi-color light-emitting transistors composed of organic single crystals

    NARCIS (Netherlands)

    Yomogida, Yohei; Sakai, Hayato; Sawabe, Kosuke; Gocho, Shota; Bisri, Satria Zulkarnaen; Nakanotani, Hajime; Adachi, Chihaya; Hasobe, Taku; Iwasa, Yoshihiro; Takenobu, Taishi


    We report a novel concept for multi-color light emission from an ambipolar organic single-crystal transistor using natural optical waveguides, the self-absorption effect, Davydov splitting and the unique alignment of the transition dipole moments. We used 9,10-bis(2,2-diphenylvinyl)-anthracene

  11. Assembly of Nanoscale Organic Single-Crystal Cross-Wire Circuits

    DEFF Research Database (Denmark)

    Bjørnholm, Thomas


    Organic single-crystal transistors and circuits can be assembled by nanomechanical manipulation of nanowires of CuPc, F(16)CuPc, and SnO(2):Sb. The crossed bar devices have low operational voltage, high mobility and are stable in air. They can be combined into circuits, providing varied functions...

  12. Strong exciton-photon coupling in organic single crystal microcavity with high molecular orientation

    Energy Technology Data Exchange (ETDEWEB)

    Goto, Kaname [Department of Electronics, Graduate School of Science and Technology, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585 (Japan); Yamashita, Kenichi, E-mail: [Faculty of Electrical Engineering and Electronics, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585 (Japan); Yanagi, Hisao [Graduate School of Materials Science, Nara Institute of Science and Technology (NAIST), 8916-5 Takayama, Ikoma, Nara 630-0192 (Japan); Yamao, Takeshi; Hotta, Shu [Faculty of Materials Science and Technology, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585 (Japan)


    Strong exciton-photon coupling has been observed in a highly oriented organic single crystal microcavity. This microcavity consists of a thiophene/phenylene co-oligomer (TPCO) single crystal laminated on a high-reflection distributed Bragg reflector. In the TPCO crystal, molecular transition dipole was strongly polarized along a certain horizontal directions with respect to the main crystal plane. This dipole polarization causes significantly large anisotropies in the exciton transition and optical constants. Especially the anisotropic exciton transition was found to provide the strong enhancement in the coupling with the cavity mode, which was demonstrated by a Rabi splitting energy as large as ∼100 meV even in the “half-vertical cavity surface emitting lasing” microcavity structure.

  13. XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal. (United States)

    Mohanraj, J; Capria, E; Benevoli, L; Perucchi, A; Demitri, N; Fraleoni-Morgera, A


    The anisotropic thermal expansion properties of an organic semiconducting single crystal constituted by 4-hydroxycyanobenzene (4HCB) have been probed by XRD in the range 120-300 K. The anisotropic thermal expansion coefficients for the three crystallographic axes and for the crystal volume have been determined. A careful analysis of the crystal structure revealed that the two different H-bonds stemming from the two independent, differently oriented 4HCB molecules composing the unit cell have different rearrangement patterns upon temperature variations, in terms of both bond length and bond angle. Linearly Polarized Mid InfraRed (LP-MIR) measurements carried out in the same temperature range, focused on the O-H bond spectral region, confirm this finding. The same LP-MIR measurements, on the basis of a semi-empirical relation and of geometrical considerations and assumptions, allowed calculation of the -CNH-O- hydrogen bond length along the a and b axes of the crystal. In turn, the so-calculated -CNH-O- bond lengths were used to derive the thermal expansion coefficients along the corresponding crystal axes, as well as the volumetric one, using just the LP-MIR data. Reasonable to good agreement with the same values obtained from XRD measurements was obtained. This proof-of-principle opens interesting perspectives about the possible development of a rapid, low cost and industry-friendly assessment of the thermal expansion properties of organic semiconducting single crystals (OSSCs) involving hydrogen bonds.

  14. Structural, thermal and optical characterization of an organic NLO material—Benzaldehyde thiosemicarbazone monohydrate single crystals (United States)

    Santhakumari, R.; Ramamurthi, K.


    Single crystals of the organic NLO material, benzaldehyde thiosemicarbazone (BTSC) monohydrate, were grown by slow evaporation method. Solubility of BTSC monohydrate was determined in ethanol at different temperatures. The grown crystals were characterized by single crystal X-ray diffraction analysis to determine the cell parameters and by FT-IR technique to study the presence of the functional groups. Thermogravimetric and differential thermal analyses reveal the thermal stability of the crystal. UV-vis-NIR spectrum shows excellent transmission in the region of 200-1100 nm. Theoretical calculations were carried out to determine the linear optical constants such as extinction coefficient and refractive index. Further the optical nonlinearities of BTSC have been investigated by Z-scan technique with He-Ne laser radiation of wavelength 632.8 nm. Mechanical properties of the grown crystal were studied using Vickers microhardness tester. Second harmonic generation efficiency of the powdered BTSC monohydrate was tested using Nd:YAG laser and it is found to be ˜5.3 times that of potassium dihydrogen orthophosphate.

  15. Solution-printed organic semiconductor blends exhibiting transport properties on par with single crystals

    KAUST Repository

    Niazi, Muhammad Rizwan


    Solution-printed organic semiconductors have emerged in recent years as promising contenders for roll-to-roll manufacturing of electronic and optoelectronic circuits. The stringent performance requirements for organic thin-film transistors (OTFTs) in terms of carrier mobility, switching speed, turn-on voltage and uniformity over large areas require performance currently achieved by organic single-crystal devices, but these suffer from scale-up challenges. Here we present a new method based on blade coating of a blend of conjugated small molecules and amorphous insulating polymers to produce OTFTs with consistently excellent performance characteristics (carrier mobility as high as 6.7 cm2 V−1 s−1, low threshold voltages of<1 V and low subthreshold swings <0.5 V dec−1). Our findings demonstrate that careful control over phase separation and crystallization can yield solution-printed polycrystalline organic semiconductor films with transport properties and other figures of merit on par with their single-crystal counterparts.

  16. Reversible Single-Crystal-to-Single-Crystal Structural Transformation in a Mixed-Ligand 2D Layered Metal-Organic Framework: Structural Characterization and Sorption Study

    Directory of Open Access Journals (Sweden)

    Chih-Chieh Wang


    Full Text Available A 3D supramolecular network, [Cd(bipy(C4O4(H2O2]·3H2O (1 (bipy = 4,4′-bipyridine and C4O42− = dianion of H2C4O4, constructed by mixed-ligand two-dimensional (2D metal-organic frameworks (MOFs has been reported and structurally determined by the single-crystal X-ray diffraction method and characterized by other physicochemical methods. In 1, the C4O42− and bipy both act as bridging ligands connecting the Cd(II ions to form a 2D layered MOF, which are then extended to a 3D supramolecular network via the mutually parallel and interpenetrating arrangements among the 2D-layered MOFs. Compound 1 shows a two-step dehydration process with weight losses of 11.0% and 7.3%, corresponding to the weight-loss of three guest and two coordinated water molecules, respectively, and exhibits an interesting reversible single-crystal-to-single-crystal (SCSC structural transformation upon de-hydration and re-hydration for guest water molecules. The SCSC structural transformation have been demonstrated and monitored by single-crystal and X-ray powder diffraction, and thermogravimetic analysis studies.

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


    Sreenivasan, R. S.; Kanagathara, N.; Ezhamani, G.; Renganathan, N. G.; Anbalagan, G.


    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 (Å)3, which agrees very well with ...

  18. Forming a three-dimensional porous organic network via solid-state explosion of organic single crystals. (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


    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.

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

    Directory of Open Access Journals (Sweden)

    R. S. Sreenivasan


    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.

  20. Structure and Growth Control of Organic-Inorganic Halide Perovskites for Optoelectronics: From Polycrystalline Films to Single Crystals. (United States)

    Chen, Yani; He, Minhong; Peng, Jiajun; Sun, Yong; Liang, Ziqi


    Recently, organic-inorganic halide perovskites have sparked tremendous research interest because of their ground-breaking photovoltaic performance. The crystallization process and crystal shape of perovskites have striking impacts on their optoelectronic properties. Polycrystalline films and single crystals are two main forms of perovskites. Currently, perovskite thin films have been under intensive investigation while studies of perovskite single crystals are just in their infancy. This review article is concentrated upon the control of perovskite structures and growth, which are intimately correlated for improvements of not only solar cells but also light-emitting diodes, lasers, and photodetectors. We begin with the survey of the film formation process of perovskites including deposition methods and morphological optimization avenues. Strategies such as the use of additives, thermal annealing, solvent annealing, atmospheric control, and solvent engineering have been successfully employed to yield high-quality perovskite films. Next, we turn to summarize the shape evolution of perovskites single crystals from three-dimensional large sized single crystals, two-dimensional nanoplates, one-dimensional nanowires, to zero-dimensional quantum dots. Siginificant functions of perovskites single crystals are highlighted, which benefit fundamental studies of intrinsic photophysics. Then, the growth mechanisms of the previously mentioned perovskite crystals are unveiled. Lastly, perspectives for structure and growth control of perovskites are outlined towards high-performance (opto)electronic devices.

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

    Energy Technology Data Exchange (ETDEWEB)

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


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

  2. Single Crystal Faceplate Evaluation (United States)


    7]. Much the research at Allied-Signal, Inc. in garnet layer growth has been involved with the kinetics of crystallization of garnet from LPE melts...acceptable resolution and light output characteristics. Single crystal faceplates being evaluated are composed of yttrium aluminum garnet (YAG) with an...1.1 Single Crystal Faceplate Developments Allied Signal, Inc. has done extensive development work in epitaxial layering of yttrium aluminum garnet (YAG

  3. Cascading nonlinearities in an organic single crystal core fiber: The Cerenkov regime

    NARCIS (Netherlands)

    Torruellas, William E.; Krijnen, Gijsbertus J.M.; Kim, Dug Y.; Schiek, Roland; Stegeman, George J.; Vidakovic, Petar; Zyss, Joseph


    The large nonlinear phase shifts imparted to the fundamental beam during Cerenkov second harmonic generation (SHG) in a DAN, 4-(N,N-dimethylamino)-3-acetamidonitrobenzene, single crystal core fiber are explained and modelled numerically. Cascading upconversion and downconversion processes leads to

  4. Structure, crystal growth, optical and mechanical studies of poly bis (thiourea) silver (I) nitrate single crystal: a new semi organic NLO material. (United States)

    Sivakumar, N; Kanagathara, N; Varghese, B; Bhagavannarayana, G; Gunasekaran, S; Anbalagan, G


    A new semi organic non linear optical polymeric crystal, bis (thiourea) silver (I) nitrate (TuAgN) with dimension 8×7×1.5 mm(3) has been successfully grown from aqueous solution by slow evaporation solution technique. Single crystal X-ray diffraction study reveals that the crystal belongs to orthorhombic system with non centrosymmetric space group C2221. The crystalline perfection of the crystal was analyzed by high resolution X-ray diffraction (HRXRD) rocking curve measurements. Functional groups present in the crystal were analyzed qualitatively by infrared and Confocal Raman spectral analysis. Effects due to coordination of thiourea with metal ions were also discussed. Optical absorption study on TuAgN crystal shows the minimum absorption in the entire UV-Vis region and the lower cut off wavelength of TuAgN is found to be 318 nm. Thermal analysis shows that the material is thermally stable up to 180°C. The mechanical strength and its parameters of the grown crystal were estimated by Vicker's microhardness test. The second harmonic generation (SHG) efficiency of the crystal was measured by Kurtz's powder technique infers that the crystal has nonlinear optical (NLO) efficiency 0.85 times that of KDP. Copyright © 2013 Elsevier B.V. All rights reserved.

  5. Synthesis, growth, structure, mechanical and optical properties of a new semi-organic 2-methyl imidazolium dihydrogen phosphate single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Nagapandiselvi, P., E-mail: [Department of Physics, SSN College of Engineering, Kalavakkam (India); Baby, C. [Sophisticated Analytical Instrument Facility, Indian Institute of Technology Madras, Chennai (India); Gopalakrishnan, R. [Crystal Research Lab, Department of Physics, Anna University, Chennai (India)


    Highlights: • 2MIDP crystals were grown by slow evaporation solution growth technique. • Single crystal XRD revealed self-assembled supramolecular framework. • Z scan technique is employed for third order nonlinear optical susceptibility. • Structure-property correlation is established. - Abstract: A new semi-organic compound, 2-methyl imidazolium dihydrogen phosphate (2MIDP), was prepared and good quality single crystals of 2MIDP were grown by slow evaporation solution growth technique. Crystal structure elucidated using Single crystal XRD showed that 2MIDP crystallizes in monoclinic system with P2{sub 1}/c space group. FT-IR, UV-Vis-NIR, Fluorescence and FT-NMR spectra confirm the molecular structure of 2MIDP. The UV-Vis-NIR spectra established the suitability of the compound for NLO applications. TG-DSC showed that 2MIDP is thermally stable up to 200 °C. Mechanical characteristics like hardness number (H{sub v}), stiffness constant (C{sub 11}), yield strength (σ{sub v}), fracture toughness (K{sub c}) and brittleness index (B{sub i}) were assessed using Vicker’s microhardness tester. Third order nonlinear optical properties determined from Z-scan measurement using femto and picosecond lasers showed two photon reverse saturable absorption. The enhancement of nonlinear optical properties in femto second laser, revealed the suitability of 2MIDP for optical limiting applications.

  6. Structural and electrical properties of organic stilbazolium single crystal of DSCHS

    Energy Technology Data Exchange (ETDEWEB)

    Sundaram, S. John; Ramaclus, Jerald V.; Sagayaraj, P., E-mail: [Department of Physics, Loyola College, Chennai - 600034 (India); Raj, A. Antony [Department of Physics, AMET University, Kanathur, Chennai - 603112 (India)


    Organic nonlinear optical crystal 4-N, N-Dimethyl Amino-4’N’-Methyl-Stilbazolium 3-Carboxy-4-Hydroxy benzenesulfonate (DSCHS) has been successfully grown from aqueous methanol solution by adopting slow solvent evaporation technique. Chemical composition of the sample was confirmed by CHN analysis. Powder X-ray diffraction analysis was carried out and it shows that DSCHS crystal belongs to triclinic structure with Pl space group. It is found that this material exhibits positive photoconductivity. Dielectric studies were also carried out for different temperature by varying the frequency.

  7. Crystal growth and characterization of semi-organic 2-amino-5-nitropyridinium bromide (2A5NPBr) single crystals for third-order nonlinear optical (NLO) applications (United States)

    Vediyappan, Sivasubramani; Arumugam, Raja; Pichan, Karuppasamy; Kasthuri, Ramachandran; Muthu, Senthil Pandian; Perumal, Ramasamy


    Semi-organic nonlinear optical (NLO) 2-amino-5-nitropyridinium bromide (2A5NPBr) single crystals have been grown by slow evaporation solution technique (SEST) with the growth period of 60 days. The single-crystal XRD analysis confirms the unit cell parameters of the grown crystal. The crystallinity of grown 2A5NPBr was analyzed by powder X-ray diffraction (PXRD) measurement. The presence of functional groups of 2A5NPBr crystal was confirmed by Fourier transform infrared (FTIR) spectrum analysis. The optical transmittance of the grown crystal was analyzed by UV-Vis-NIR analysis. It shows good transparency in the visible and NIR region and it is favorable for nonlinear optical (NLO) device applications. The chemical etching study was carried out and it reveals that the grown crystal has less dislocation density. The photoconductivity study reveals that the grown crystal possesses positive photoconductive nature. The thermal stability of the crystal has been investigated by thermogravimetric (TG) and differential thermal analysis (DTA). The dielectric constant and dielectric loss as a function of frequency were measured. The electronic polarizability (α) of 2A5NPBr molecule has been calculated theoretically by different ways such as Penn analysis, Clausius-Mossotti relation, Lorentz-Lorenz equation, optical bandgap, and coupled dipole method (CDM). The obtained values of electronic polarizability (α) are in good agreement with each other. Laser damage threshold (LDT) of 2A5NPBr crystal has been measured using Nd:YAG laser with the wavelength of 1064 nm. Third-order nonlinear optical property of the grown crystal was studied by Z-scan technique using He-Ne laser of wavelength 632.8 nm.


    Energy Technology Data Exchange (ETDEWEB)



    Single-crystal neutron diffraction measures the elastic Bragg reflection intensities from crystals of a material, the structure of which is the subject of investigation. A single crystal is placed in a beam of neutrons produced at a nuclear reactor or at a proton accelerator-based spallation source. Single-crystal diffraction measurements are commonly made at thermal neutron beam energies, which correspond to neutron wavelengths in the neighborhood of 1 Angstrom. For high-resolution studies requiring shorter wavelengths (ca. 0.3-0.8 Angstroms), a pulsed spallation source or a high-temperature moderator (a ''hot source'') at a reactor may be used. When complex structures with large unit-cell repeats are under investigation, as is the case in structural biology, a cryogenic-temperature moderator (a ''cold source'') may be employed to obtain longer neutron wavelengths (ca. 4-10 Angstroms). A single-crystal neutron diffraction analysis will determine the crystal structure of the material, typically including its unit cell and space group, the positions of the atomic nuclei and their mean-square displacements, and relevant site occupancies. Because the neutron possesses a magnetic moment, the magnetic structure of the material can be determined as well, from the magnetic contribution to the Bragg intensities. This latter aspect falls beyond the scope of the present unit; for information on magnetic scattering of neutrons see Unit 14.3. Instruments for single-crystal diffraction (single-crystal diffractometers or SCDs) are generally available at the major neutron scattering center facilities. Beam time on many of these instruments is available through a proposal mechanism. A listing of neutron SCD instruments and their corresponding facility contacts is included in an appendix accompanying this unit.

  9. Precise Patterning of Organic Single Crystals via Capillary-Assisted Alternating-Electric Field. (United States)

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


    Owing to the extraordinary properties, organic micro/nanocrystals are important building blocks for future low-cost and high-performance organic electronic devices. However, integrated device application of the organic micro/nanocrystals is hampered by the difficulty in high-throughput, high-precision patterning of the micro/nanocrystals. In this study, the authors demonstrate, for the first time, a facile capillary-assisted alternating-electric field method for the large-scale assembling and patterning of both 0D and 1D organic crystals. These crystals can be precisely patterned at the photolithography defined holes/channels at the substrate with the yield up to 95% in 1 mm2 . The mechanism of assembly kinetics is systematically studied by the electric field distribution simulation and experimental investigations. By using the strategy, various organic micro/nanocrystal patterns are obtained by simply altering the geometries of the photoresist patterns on substrates. Moreover, ultraviolet photodetectors based on the patterned Alq3 micro/nanocrystals exhibit visible-blind photoresponse with high sensitivity as well as excellent stability and reproducibility. This work paves the way toward high-integration, high-performance organic electronic, and optoelectronic devices from the organic micro/nanocrystals. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Growth of single crystals of organic salts with large second-order optical nonlinearities by solution processes for devices (United States)

    Leslie, Thomas M.


    Data obtained from the electric field induced second harmonic generation (EFISH) and Kurtz Powder Methods will be provided to MSFC for further refinement of their method. A theoretical model for predicting the second-order nonlinearities of organic salts is being worked on. Another task is the synthesis of a number of salts with various counterions. Several salts with promising SHG activities and new salts will be tested for the presence of two crystalline forms. The materials will be recrystallized from dry and wet solvents and compared for SHG efficiency. Salts that have a high SHG efficiency and no tendency to form hydrates will be documented. The synthesis of these materials are included in this report. A third task involves method to aid in the growth of large, high quality single crystals by solution processes. These crystals will be characterized for their applicability in the fabrication of devices that will be incorporated into optical computers in future programs. Single crystals of optimum quality may be obtained by crystal growth in low-gravity. The final task is the design of a temperature lowering single crystal growth apparatus for ground based work. At least one prototype will be built.

  11. Synthesis and characterization of pure, urea and thiourea doped organic NLO L-arginine trifluoroacetate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Prasanyaa, T. [Department of Physics, Karunya University, Coimbatore 641 114, Tamilnadu (India); Haris, M., E-mail: [Department of Physics, Karunya University, Coimbatore 641 114, Tamilnadu (India); Mathivanan, V. [Department of Physics, Karunya University, Coimbatore 641 114, Tamilnadu (India); Department of Physics, United Institute of Technology, Coimbatore (India); Senthilkumar, M. [Department of Physics, Karunya University, Coimbatore 641 114, Tamilnadu (India); Mahalingam, T. [Department of Electrical and Computer Engineering, Ajou University, Suwon 443-749 (Korea, Republic of); Jayaramakrishnan, V. [Department of Physics, P.S.G. College of Arts and Science, Coimbatore 641 014, Tamilnadu (India)


    Optically transparent L-arginine trifluoroacetate (LATF) single crystals by doping with organic materials urea and thiourea were grown by slow solvent evaporation technique. Powder X-ray diffraction confirms improvement in the crystalline quality for urea doped crystals. Urea doping in LATF also improves the percentage of transmittance. The vibrational frequencies of the grown crystals were assigned by Fourier Transform infrared spectroscopy. The thermal analysis (TG/DTA) indicated the better thermal stability for urea doped LATF crystals. EDAX analysis was carried out to calculate the percentage of elements present in doped and pure LATF. The hardness has been remarkably improved on urea and thiourea doped LATF crystals. The second harmonic generation (SHG) analysis showed 2.5 times than standard KDP for pure LATF and 2.2, 2.07 times than KDP for urea and thiourea doped LATF. - Highlights: • Urea doped LATF crystals enhances the structural and crystalline quality. • Urea doping enhances optical transparency and thermal stability. • Urea and thiourea doping in LATF improves the hardness. • SHG efficiency of urea, thiourea doped LATF are 2.2 and 2.07 times greater than KDP.

  12. Pressure-induced phase transitions in organic molecular crystals: a combination of x-ray single-crystal and powder diffraction, raman and IR-spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Boldyreva, E V; Goryainov, S V; Seryotkin, Y V; Kolesnik, E N; Shakhtshneider, T P; Ivashevskaya, S N; Drebushchak, T N [Research and Education Center ' Molecular Design and Ecologically Safe Technologies' , REC-008, Novosibirsk State University (Russian Federation); Sowa, H [Goettingen University (Germany); Ahsbahs, H; Chernyshev, V V [Marburg University (Germany); Dmitriev, V P [Swiss-Norwegian Beamline ESRF, Grenoble (France)], E-mail:


    The contribution summarizes the results of recent studies of phase transitions induced by high pressure in a number of molecular organic crystals, such as polymorphs of paracetamol, chlorpropamide, polymorphs of glycine, L- and DL-serine, {beta}-alanine. The main attention is paid to the following topics: (1) Reversible / irreversible transformations; (2) Different behavior of single crystals / powders; (3) The role of pressure-transmitting liquid; (4) The role of the kinetic factors: phase transitions on decompression, or after a long storage at a selected pressure; (5) Isosymmetric phase transitions; (6) The role of the changes in the hydrogen bond networks / intramolecular conformational changes in the phase transitions; (7) Superstructures / nanostructures formed as a result of pressure-induced phase transitions.

  13. Study on growth, structural, optical, thermal and mechanical properties of organic single crystal ethyl p-amino benzoate (EPAB) grown using vertical Bridgman technique (United States)

    Muthuraja, A.; Kalainathan, S.


    Ethyl p-aminobenzoate (EPAB) single crystal was grown using vertical Bridgman technique (VBT). The crystal system of grown crystal was identified, and lattice parameters have been measured from the powder X-ray diffraction (PXRD). The optical transparency of EPAB single crystal was 55%, and the cut-off wavelength was found to be 337 nm. The thermal stability of EPAB single crystal was analyzed by thermogravimetric analysis. Etching studie were carried out for the grown crystal using different solvents, and etch pit density (EPD) was calculated and compared. Vickers microhardness (Hv) measurements revealed that EPAB belongs to the category of soft material. The dielectric studies reveal that the dielectric constant and dielectric loss of grown crystal decreases with increasing frequency for various temperatures. The third-order nonlinear optical property of EPAB was investigated and compared with other organic crystals. The evaluation of third-order optical properties such as nonlinear refractive index (n2), nonlinear absorption (β) and third-order nonlinear susceptibility (χ3) have found to be in the range of 10-11 m2/W, 10-4 m/W and 10-5 esu respectively. The Laser damage threshold energy of EPAB was measured using Nd: YAG laser. The blue emission of the grown crystal was identified by photoluminescence (PL) spectra measurements. The second harmonic generation (SHG) for the grown EPAB crystal was confirmed by Kurtz powder technique.

  14. Antimicrobial activity and second harmonic studies on organic non-centrosymmetric pure and doped ninhydrin single crystals (United States)

    Prasanyaa, T.; Jayaramakrishnan, V.; Haris, M.


    In this paper, we report the successful growth of pure, Cu2+ ions and Cd2+ ions doped on ninhydrin single crystals by slow solvent evaporation technique. The presence of Cu2+ and Cd2+ ions in the specimen of ninhydrin single crystal has been determined by atomic absorption spectroscopy. The powder X-ray diffraction analysis was done to calculate the lattice parameters of the pure and doped crystals. The percentage of transmittance of the crystal was recorded using the UV-Vis Spectrophotometer. Thermal behaviors of the grown crystals have been examined by the thermal gravimetric/differential thermal analysis. The hardness of the grown crystals was assessed and the results show the minor variation in the hardness value for the pure and doped ninhydrin samples. The value of the work hardening coefficient n was found to be 2.0, 1.0 and 1.06 for pure, copper and cadmium doped ninhydrin crystals respectively. The second harmonic generation efficiency of Cd2+ and Cu2+ doped ninhydrin is 8.3 and 6.3 times greater than well known nonlinear crystal of potassium dihydrogen phosphate respectively. The antibacterial and antifungal activities of the title compound were performed by disk diffusion method against the standard bacteria Escherichia coli, Xanthomonas oryzae and against the fungus Aspergillis niger and Aspergillus flavus.

  15. Nucleation kinetics and growth aspects of semi organic non-linear optical bis thiourea cadmium acetate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Sankar, R.; Raghavan, C.M.; Jayavel, R. [Crystal Growth Centre, Anna University, Chennai-600 025 (India)


    Nucleation parameters such as metastable zone width, induction period and interfacial energy have been determined for the aqueous solution growth of bis thiourea cadmium acetate (BTCA) single crystals. Solubility of BTCA has been determined for various temperatures. Metastable zone width and induction period values have been estimated in order to optimize the growth parameters. The interfacial tension values derived from experimentally determined induction period are found to be comparable with theoretical values. Bulk crystals of BTCA have been grown using the optimized growth parameters. The grown crystals have been subjected to structural, optical and mechanical property studies. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  16. Facile and green fabrication of organic single-crystal hollow micro/nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Yang Jun; Chen Yingzhi; Ou Xuemei; Zhang Xiaohong [Nano-organic Photoelectronic Laboratory and Key Laboratory of Photochemical Conversion and Optoelectronic Materials, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Zhang Xiujuan, E-mail:, E-mail: [Functional Nano and Soft Materials Laboratory (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Soochow University, Suzhou 215123 (China)


    Under high humidity and appropriate temperature, tris (8-hydroxyquinoline) aluminum (Alq3) solid micro/nanostructures may be etched into hollow structures and still retain their crystalline structures and surface morphologies. The shapes and sizes of the hollow structures are easily adjusted by varying the experimental parameters. Throughout the entire process, water is introduced into the system instead of organic or corrosive solvents, making this method convenient and environmentally friendly; it can also be extended to application in other materials such as TCNQ.

  17. Nanolabyrinthine ZrAlN thin films by self-organization of interwoven single-crystal cubic and hexagonal phases

    Directory of Open Access Journals (Sweden)

    Naureen Ghafoor


    Full Text Available Self-organization on the nanometer scale is a trend in materials research. Thermodynamic driving forces may, for example, yield chessboard patterns in metal alloys [Y. Ni and A. G. Khachaturyan, Nature Mater. 8, 410–414 (2009]10.1038/nmat2431 or nitrides [P. H. Mayrhofer, A. Hörling, L. Karlsson, J. Sjölén, T. Larsson, and C. Mitterer, Appl. Phys. Lett. 83, 2049 (2003]10.1063/1.1608464 during spinodal decomposition. Here, we explore the ZrN-AlN system, which has one of the largest positive enthalpies of mixing among the transition metal aluminum nitrides [D. Holec, R. Rachbauer, L. Chen, L. Wang, D. Luefa, and P. H. Mayrhofer, Surf. Coat. Technol. 206, 1698–1704 (201110.1016/j.surfcoat.2011.09.019; B. Alling, A. Karimi, and I. Abrikosov, Surf. Coat. Technol. 203, 883–886 (2008]10.1016/j.surfcoat.2008.08.027. Surprisingly, a highly regular superhard (36 GPa two-dimensional nanolabyrinthine structure of two intergrown single crystal phases evolves during magnetron sputter thin film synthesis of Zr0.64Al0.36N/MgO(001. The self-organization is surface driven and the synergistic result of kinetic limitations, where the enthalpy reduction balances both investments in interfacial and elastic energies.

  18. Growth of 2-amino-5-chlorobenzophenone single crystal by ...

    Indian Academy of Sciences (India)

    Abstract. Organic single crystals of 2-amino-5-chlorobenzophenone (2A5CB) were grown by Microtube Czochral- ski method using Microtube as a seed. The grown crystals were characterized by single crystal and powder X-ray diffraction. The functional groups of the grown crystal were found using Fourier transform ...

  19. Growth of 2-amino-5-chlorobenzophenone single crystal by ...

    Indian Academy of Sciences (India)

    Organic single crystals of 2-amino-5-chlorobenzophenone (2A5CB) were grown by Microtube Czochralski method using Microtube as a seed. The grown crystals were characterized by single crystal and powder X-ray diffraction. The functional groups of the grown crystal were found using Fourier transform infrared ...

  20. Optical and dielectric studies of KH2PO4 crystal influenced by organic ligand of citric acid and l-valine: A single crystal growth and comparative study

    Directory of Open Access Journals (Sweden)

    Mohd Anis


    Full Text Available In the present study pure, citric acid (CA and l-valine (LV doped potassium dihydrogen phosphate (KDP crystals have been grown with the aim to investigate the nonlinear optical applications facilitated by UV–visible, third order nonlinear optical (TONLO and dielectric properties. The structural parameters of grown crystals have been confirmed by single crystal X-ray diffraction analysis. The enhancement in optical transparency of KDP crystal due to addition of CA and LV has been examined within 200–900 nm by means of UV–visible spectral analysis. In addition, the transmittance data have been used to evaluate the effect of dopants on reflectance, refractive index and extinction coefficient of grown crystals in the visible region. The Z-scan analysis has been performed at 632.8 nm to identify the nature of photoinduced nonlinear refraction and nonlinear absorption in doped KDP crystals. The influence of π-bonded ligand of dopant CA and LV on TONLO susceptibility (χ3, refractive index (n2 and absorption coefficient (β of KDP crystals has been evaluated to discuss laser assisted device applications. The decrease in dielectric constant and dielectric loss of KDP crystal due to addition of CA and LV has been explored using the temperature dependent dielectric studies.

  1. Electrically Anisotropic Layered Perovskite Single Crystal

    KAUST Repository

    Li, Ting-You


    Organic-inorganic hybrid perovskites (OIHPs), which are promising materials for electronic and optoelectronic applications (1-10), have made into layered organic-inorganic hybrid perovskites (LOIHPs). These LOIHPs have been applied to thin-film transistors, solar cells and tunable wavelength phosphors (11-18). It is known that devices fabricated with single crystal exhibit the superior performance, which makes the growth of large-sized single crystals critical for future device applications (19-23). However, the difficulty in growing large-sized LOIHPs single crystal with superior electrical properties limits their practical applications. Here, we report a method to grow the centimeter-scaled LOIHP single crystal of [(HOC2H4NH3)2PbI4], demonstrating the potentials in mass production. After that, we reveal anisotropic electrical and optoelectronic properties which proved the carrier propagating along inorganic framework. The carrier mobility of in-inorganic-plane (in-plane) devices shows the average value of 45 cm2 V–1 s–1 which is about 100 times greater than the record of LOIHP devices (15), showing the importance of single crystal in device application. Moreover, the LOIHP single crystals show its ultra-short carrier lifetime of 42.7 ps and photoluminescence quantum efficiency (PLQE) of 25.4 %. We expect this report to be a start of LOIHPs for advanced applications in which the anisotropic properties are needed (24-25), and meets the demand of high-speed applications and fast-response applications.

  2. Temperature-dependent electronic properties of inorganic-organic hybrid halide perovskite (CH3NH3PbBr3) single crystal (United States)

    Cui, Xiaolei; Yuan, Sijian; Zhang, Huotian; Zhang, Xin; Wang, Pengfei; Tu, Li; Sun, Zhengyi; Wang, Jiao; Zhan, Yiqiang; Zheng, Lirong


    In this paper, the temperature-dependent electronic properties of inorganic-organic hybrid halide perovskite (CH3NH3PbBr3) single crystals are investigated. The dynamic current-time measurement results at different temperatures directly demonstrate that the electrical properties of the perovskite single crystal are dependent on the work temperature. We find that the Poole-Frankel conduction mechanism fits the current-voltage curves at small bias voltage (0-1 V) under darkness, which is mainly attributed to the surface defect states. The capability of carriers de-trapping from defects varies with different work temperatures, resulting in an increased current as the temperature increases under both darkness and illumination. In addition, the different transient photocurrent responses of incident light at two wavelengths (470 nm, 550 nm) further confirm the existence of defect states on the single crystal surface.

  3. Anion-exchange and anthracene-encapsulation within copper(II) and manganese(II)-triazole metal-organic confined space in a single crystal-to-single crystal transformation fashion. (United States)

    Liu, Ju-Yan; Wang, Qian; Zhang, Li-Jun; Yuan, Bin; Xu, Yao-Yao; Zhang, Xin; Zhao, Cong-Ying; Wang, Dan; Yuan, Yue; Wang, Ying; Ding, Bin; Zhao, Xiao-Jun; Yue, Min Min


    A new multidentate ligand 1-(9-(1H-1,2,4-triazol-1-yl)anthracen-10-yl)-1H-1,2,4-triazole (tatrz) was designed and synthesized. Using tatrz as a building block, three novel coordination frameworks, namely, {[Cu(tatrz)2(NO3)2]·(CH3OH)·4H2O}n (1), {[Cu(tatrz)2(H2O)2](BF4)2}n (2), and [Mn(tatrz)2(SCN)2(CH3OH)]·2H2O (3) can be isolated. Anion-exchange experiment indicates that NO3(-) anions in the two-dimensional (2D) copper framework of 1 can be completely exchanged by ClO4(-) in an irreversible single crystal-to-single crystal (SC-SC) transformation fashion, as evidenced by the anion-exchange products of {[Cu(tatrz)2(H2O)2](ClO4)2·4CH3OH} (1a). Further, if 1a was employed as a precursor in N,N-dimethylformamide (DMF), an isomorphic solvate of {[Cu(tatrz)2(DMF)2](ClO4)2·2H2O}n (1b) can be generated during the reversible dynamic transformation process. When 1 was immersed in CH3OH, a distinct 2D layer {[Cu(tatrz)2(NO3)2]·4.4CH3OH·0.6H2O}n (1c) was isolated. Interestingly, the solvent-exchange conversion is also invertible between 1 and 1c, which exhibits spongelike dynamic behavior with retention of crystalline integrity. If the 2-fold interpenetrating three-dimensional (3D) framework 2 is selected, it can be transformed into another 2-fold interpenetrating 3D framework {[Cu(tatrz)2(H2O)2](ClO4)2·5.56H2O}n (2a) in a reversible SC-SC transformation fashion. However, when the light yellow crystals of mononuclear complex 3 were exposed to trichloromethane containing aromatic organic anthracene (atan), through our careful observation, the crystals of 3 were dissolved and reassembled into dark brown crystals of 2D crystalline coordination framework {[Mn(tatrz)2(SCN)2]·(atan)}n (3a). X-ray diffraction revealed that in 3a, atan acting as an organic template was encapsulated in the confined space of the 2D grid. Luminescent measurements illustrate that 3a is the first report of multidimensional polymers based on triazole derivatives as luminescent probes of Mg(2+).

  4. Hybrid gold single crystals incorporating amino acids

    CERN Document Server

    Chen, Linfeng; Weber, Eva; Fitch, Andy N; Pokroy, Boaz


    Composite hybrid gold crystals are of profound interest in various research areas ranging from materials science to biology. Their importance is due to their unique properties and potential implementation, for example in sensing or in bio-nanomedicine. Here we report on the formation of hybrid organic-metal composites via the incorporation of selected amino acids histidine, aspartic acid, serine, glutamine, alanine, cysteine, and selenocystine into the crystal lattice of single crystals of gold. We used electron microscopy, chemical analysis and high-resolution synchrotron powder X ray diffraction to examine these composites. Crystal shape, as well as atomic concentrations of occluded amino acids and their impact on the crystal structure of gold, were determined. Concentration of the incorporated amino acid was highest for cysteine, followed by serine and aspartic acid. Our results indicate that the incorporation process probably occurs through a complex interaction of their individual functional groups with ...

  5. Self-organized single crystal mixed magnetite/cobalt ferrite films grown by infrared pulsed-laser deposition

    Energy Technology Data Exchange (ETDEWEB)

    Figuera, Juan de la, E-mail: [Instituto de Química Física “Rocasolano”, CSIC, Madrid E-28006 (Spain); Quesada, Adrián [Instituto de Cerámica y Vidrio, CSIC, Madrid E-28049 (Spain); Martín-García, Laura; Sanz, Mikel; Oujja, Mohamed; Rebollar, Esther; Castillejo, Marta [Instituto de Química Física “Rocasolano”, CSIC, Madrid E-28006 (Spain); Prieto, Pilar; Muñoz-Martín, Ángel [Universidad Autónoma de Madrid, E-28049 (Spain); Aballe, Lucía [Alba Synchrotron Light Facility, CELLS, Barcelona (Spain); Marco, José F. [Instituto de Química Física “Rocasolano”, CSIC, Madrid E-28006 (Spain)


    Highlights: • Infrared pulsed deposition is used to grow single crystal mixed magnetite-cobalt ferrite films. • Distinct topography with two mound types on the surface of the film. • Suggested origin of segregation into two phases is oxygen deficiency during growth. • Mössbauer is required to quantify the two components. - Abstract: We have grown mixed magnetite/cobalt ferrite epitaxial films on SrTiO{sub 3} by infrared pulsed-laser deposition. Diffraction experiments indicate epitaxial growth with a relaxed lattice spacing. The films are flat with two distinct island types: nanometric rectangular mounds in two perpendicular orientations, and larger square islands, attributed to the two main components of the film as determined by Mössbauer spectroscopy. The origin of the segregation is suggested to be the oxygen-deficiency during growth.

  6. Estimation of the spatial distribution of traps using space-charge-limited current measurements in an organic single crystal

    KAUST Repository

    Dacuña, Javier


    We used a mobility edge transport model and solved the drift-diffusion equation to characterize the space-charge-limited current of a rubrene single-crystal hole-only diode. The current-voltage characteristics suggest that current is injection-limited at high voltage when holes are injected from the bottom contact (reverse bias). In contrast, the low-voltage regime shows that the current is higher when holes are injected from the bottom contact as compared to hole injection from the top contact (forward bias), which does not exhibit injection-limited current in the measured voltage range. This behavior is attributed to an asymmetric distribution of trap states in the semiconductor, specifically, a distribution of traps located near the top contact. Accounting for a localized trap distribution near the contact allows us to reproduce the temperature-dependent current-voltage characteristics in forward and reverse bias simultaneously, i.e., with a single set of model parameters. We estimated that the local trap distribution contains 1.19×1011 cm -2 states and decays as exp(-x/32.3nm) away from the semiconductor-contact interface. The local trap distribution near one contact mainly affects injection from the same contact, hence breaking the symmetry in the charge transport. The model also provides information of the band mobility, energy barrier at the contacts, and bulk trap distribution with their corresponding confidence intervals. © 2012 American Physical Society.

  7. Air-stable n-channel organic single crystal field-effect transistors based on microribbons of core-chlorinated naphthalene diimide. (United States)

    He, Tao; Stolte, Matthias; Würthner, Frank


    Ribbon-shaped single crystal transistors based on naphthalene diimide Cl2-NDI exhibit excellent n-channel performance with the mobility as high as 8.6 cm(2) V(-1) s(-1) in air. The combination of ambient stability and high mobility n-channel transport closes the gap between p- and n-channel SCFETs and opens the door for the manufacture of high performance complementary organic circuits. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Patterning of Perovskite Single Crystals

    KAUST Repository

    Corzo, Daniel


    As the internet-of-things hardware integration continues to develop and the requirements for electronics keep diversifying and expanding, the necessity for specialized properties other than the classical semiconductor performance becomes apparent. The success of emerging semiconductor materials depends on the manufacturability and cost as much as on the properties and performance they offer. Solution-based semiconductors are an emerging concept that offers the advantage of being compatible with large-scale manufacturing techniques and have the potential to yield high-quality electronic devices at a lower cost than currently available solutions. In this work, patterns of high-quality MAPbBr3 perovskite single crystals in specific locations are achieved through the modification of the substrate properties and solvent engineering. The fabrication of the substrates involved modifying the surface adhesion forces through functionalization with self-assembled monolayers and patterning them by photolithography processes. Spin coating and blade coating were used to deposit the perovskite solution on the modified silicon substrates. While single crystal perovskites were obtained with the modification of substrates alone, solvent engineering helped with improving the Marangoni flows in the deposited droplets by increasing the contact angle and lowering the evaporation rate, therefore controlling and improving the shape of the grown perovskite crystals. The methodology is extended to other types of perovskites such as the transparent MAPbCl3 and the lead-free MABi2I9, demonstrating the adaptability of the process. Adapting the process to electrode arrays opened up the path towards the fabrication of optoelectronic devices including photodetectors and field-effect transistors, for which the first iterations are demonstrated. Overall, manufacturing and integration techniques permitting the fabrication of single crystalline devices, such as the method in this thesis work, are

  9. Strain engineering and one-dimensional organization of metal-insulator domains in single-crystal vanadium dioxide beams. (United States)

    Cao, J; Ertekin, E; Srinivasan, V; Fan, W; Huang, S; Zheng, H; Yim, J W L; Khanal, D R; Ogletree, D F; Grossman, J C; Wu, J


    Correlated electron materials can undergo a variety of phase transitions, including superconductivity, the metal-insulator transition and colossal magnetoresistance. Moreover, multiple physical phases or domains with dimensions of nanometres to micrometres can coexist in these materials at temperatures where a pure phase is expected. Making use of the properties of correlated electron materials in device applications will require the ability to control domain structures and phase transitions in these materials. Lattice strain has been shown to cause the coexistence of metallic and insulating phases in the Mott insulator VO(2). Here, we show that we can nucleate and manipulate ordered arrays of metallic and insulating domains along single-crystal beams of VO(2) by continuously tuning the strain over a wide range of values. The Mott transition between a low-temperature insulating phase and a high-temperature metallic phase usually occurs at 341 K in VO(2), but the active control of strain allows us to reduce this transition temperature to room temperature. In addition to device applications, the ability to control the phase structure of VO(2) with strain could lead to a deeper understanding of the correlated electron materials in general.

  10. Structural characterization of framework-gas interactions in the metal-organic framework Co2(dobdc) by in situ single-crystal X-ray diffraction. (United States)

    Gonzalez, Miguel I; Mason, Jarad A; Bloch, Eric D; Teat, Simon J; Gagnon, Kevin J; Morrison, Gregory Y; Queen, Wendy L; Long, Jeffrey R


    The crystallographic characterization of framework-guest interactions in metal-organic frameworks allows the location of guest binding sites and provides meaningful information on the nature of these interactions, enabling the correlation of structure with adsorption behavior. Here, techniques developed for in situ single-crystal X-ray diffraction experiments on porous crystals have enabled the direct observation of CO, CH4, N2, O2, Ar, and P4 adsorption in Co2(dobdc) (dobdc4- = 2,5-dioxido-1,4-benzenedicarboxylate), a metal-organic framework bearing coordinatively unsaturated cobalt(ii) sites. All these molecules exhibit such weak interactions with the high-spin cobalt(ii) sites in the framework that no analogous molecular structures exist, demonstrating the utility of metal-organic frameworks as crystalline matrices for the isolation and structural determination of unstable species. Notably, the Co-CH4 and Co-Ar interactions observed in Co2(dobdc) represent, to the best of our knowledge, the first single-crystal structure determination of a metal-CH4 interaction and the first crystallographically characterized metal-Ar interaction. Analysis of low-pressure gas adsorption isotherms confirms that these gases exhibit mainly physisorptive interactions with the cobalt(ii) sites in Co2(dobdc), with differential enthalpies of adsorption as weak as -17(1) kJ mol-1 (for Ar). Moreover, the structures of Co2(dobdc)·3.8N2, Co2(dobdc)·5.9O2, and Co2(dobdc)·2.0Ar reveal the location of secondary (N2, O2, and Ar) and tertiary (O2) binding sites in Co2(dobdc), while high-pressure CO2, CO, CH4, N2, and Ar adsorption isotherms show that these binding sites become more relevant at elevated pressures.

  11. Single chirality through crystal grinding

    NARCIS (Netherlands)

    Noorduin, W.L.


    The properties of chiral molecules in living organisms can be different for left- and right-handed molecules. Therefore, ways to produce molecules of single handedness are of paramount importance, especially for economical, high yielding processes to synthesize pharmaceutical compounds that must be

  12. Single crystal to single crystal polymerization of a columnar assembled diacetylene macrocycle (United States)

    Xu, Weiwei

    Organic tubular materials have attracted lots of attentions for their potential applications as nanoscale fluidic transport systems, specific ion sensors, molecular sieves and confined molecular reaction containers. While conjugated polymers, due to delocalized Pi electrons, exhibit interesting solar cells and sensors applications. In this thesis, we developed a conjugated polymer which combines the attributes of conjugated polymers with tubular materials, which should have great potential to work as a sensing material. We reproduced and scaled-up the synthesis of a polymerizable macrocycle 1 that contains two rigidly separated diacetylene units. We found that, through hydrogen bonding, 1 can assemble into columnar crystals and can be polymerized under a single crystal to single crystal transformation process to afford porous polydiacetylene (PDA) crystals. We studied the assembly of the macrocycles 1 under different conditions to give three different crystalline forms and micro-phase crystals, and also investigated their subsequent polymerizations. The macrocycle assembly and polymerized materials were characterized by a variety of technique. Since the gas adsorption measurement exhibited PDA crystals still retained its porosity and the polymer should have ability to uptake suitable guest molecules, therefore the absorption of iodine for PDA crystals was investigated as well.

  13. Charge transport in organic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Ortmann, Frank


    The understanding of charge transport is one of the central goals in the research on semiconducting crystals. For organic crystals this is particularly complicated due to the strength of the electron-phonon interaction which requires the description of a seamless transition between the limiting cases of a coherent band-transport mechanism and incoherent hopping. In this thesis, charge transport phenomena in organic crystals are studied by theoretical means. A theory for charge transport in organic crystals is developed which covers the whole temperature range from low T, where it reproduces an expression from the Boltzmann equation for band transport, via elevated T, where it generalizes Holstein's small-polaron theory to finite bandwidths, up to high T, for which a temperature dependence equal to Marcus' electron-transfer theory is obtained. Thereby, coherent band transport and thermally induced hopping are treated on equal footing while simultaneously treating the electron-phonon interaction non-perturbatively. By avoiding the approximation of narrow polaron bands the theory allows for the description of large and small polarons and serves as a starting point for computational studies. The theoretical description is completed by using ab initio material parameters for the selected crystals under study. These material parameters are taken from density functional theory calculations for durene, naphthalene, and guanine crystals. Besides the analysis of the transport mechanism, special focus is put on the study of the relationship between mobility anisotropy and structure of the crystals. This study is supported by a 3D-visualization method for the transport channels in such crystals which has been derived in this thesis. (orig.)

  14. Nanoindentation of gold single crystals (United States)

    McCann, Martha Mary

    Nanoindentation is an increasingly used tool to investigate the mechanical properties of very small volumes of material. Gold single crystals were chosen as a model system for surface modification studies, because of the electrochemical advantages and the simple structure of the material. Experiments on these samples displayed a spectrum of residual deformation, with measured hardness values on the same surface differing by over a factor of two. The yield point also exhibited considerable variation, but the depth of penetration was independent of this elastic-plastic transition. The onset of plastic deformation in these tests is observed at stress levels on the order of the theoretical yield strength. There are a limited number of defects in a single crystal specimen of gold, especially on the length scale required to influence nearly every indentation experiment. A test matrix was designed to change the concentrations of possible defects in a sample (dislocations, vacancies, and structural features), by altering some of the surface preparation parameters. The results of these experiments were extremely consistent. Observed trends within the matrix, combined with the observations of reduced hardness and earlier plasticity when compared to the preliminary testing, indicate a decline in the structural continuity of the sample. This is surprising considering the extensive material removal and thermal history of some of these surfaces. There is no indication of a cause for the dramatic inconsistencies in mechanical properties observed in preliminary testing, but a consistent surface enables the study of intentional modifications. Changes in contact area that were undetectable in preliminary results now demonstrate predictable shifts in hardness values. The deposition of a single monolayer of gold oxide raised the average load at yield by a factor of three and increased the hardness by over 26%. Attributing this change to the oxide is corroborated by the reduction of

  15. Scaling submillimeter single-cycle transients toward megavolts per centimeter field strength via optical rectification in the organic crystal OH1. (United States)

    Ruchert, Clemens; Vicario, Carlo; Hauri, Christoph P


    We present the generation of high-power single-cycle terahertz (THz) pulses in the organic salt crystal 2-[3-(4-hydroxystyryl)-5.5-dimethylcyclohex-2-enylidene]malononitrile or OH1. Broadband THz radiation with a central frequency of 1.5 THz (λ(c)=200 μm) and high electric field strength of 440 kV/cm is produced by optical rectification driven by the signal of a powerful femtosecond optical parametric amplifier. A 1.5% pump to THz energy conversion efficiency is reported, and pulse energy stability better than 1% RMS is achieved. An approach toward the realization of higher field strength is discussed. © 2012 Optical Society of America

  16. Ultratough single crystal boron-doped diamond (United States)

    Hemley, Russell J [Carnegie Inst. for Science, Washington, DC ; Mao, Ho-Kwang [Carnegie Inst. for Science, Washington, DC ; Yan, Chih-Shiue [Carnegie Inst. for Science, Washington, DC ; Liang, Qi [Carnegie Inst. for Science, Washington, DC


    The invention relates to a single crystal boron doped CVD diamond that has a toughness of at least about 22 MPa m.sup.1/2. The invention further relates to a method of manufacturing single crystal boron doped CVD diamond. The growth rate of the diamond can be from about 20-100 .mu.m/h.

  17. Organic crystal growth experiment facility (13-IML-1) (United States)

    Kanbayashi, Akio


    The interesting nature of metal-like organic compounds composed of charge transfer complexes has been recently realized. Crystals of these complexes can usually be grown by the solution crystallization method. It is difficult to grow such organic crystals on Earth, especially from the chemical reactions through diffusion controlled process in the solutions, because of gravitational disturbances, or sedimentation. The International Microgravity Lab. (IML-1) Organic Crystal Growth with G-Gitter Preventive Measure (OCGP) experiment is expected to grow a single crystal large enough to allow its intrinsic physical properties to be measured and its detailed crystal structure to be determined. This experiment also attempts to assess the experimental conditions including the microgravity environment for further study of the fundamental process of solution crystallization, nucleation, and growth from supersaturated phases including chemical reactions. Microgravity disturbances, G-jitter, may be an important environmental factor in the experimental method to assess. The vibration damping effects on organic crystal growth can be carefully studied.

  18. [Are liquid crystals living organisms?]. (United States)

    Snelders, H A


    In 1888 the Austrian botanist F. Reinitzer made the observation that the solid compound cholesteryl-benzoate changes - when melting at 145.5 oC - into a cloudy liquid, that however, turns into a clear liquid at 178.5 oC and higher temperatures. The cloudy liquid seemed to be doubly refracting. Soon a number of these so-called 'liquid crystals' were discovered; in 1908 D. Vorländer, professor of organic chemistry at Halle, described more than 250 of these substances. It was O. Lehmann, professor of physics at Aachen (1885), Dresden (1888) and Karlsruhe (1889), who immediately after Reinitzer's observation began a systematic study of these liquid crystals. In The Netherlands the Amsterdam professor of physican chemistry H. W. Bakhuis Roozeboom was interested in liquid crystals, in particular because of their place in his phase system. F.M. Jaeger, at that time teaching chemistry in a secondary school in Zaandam (near Amsterdam) and working as an unpaid university lecturer at the Amsterdam university (by recommendation of Bakhuis Roozeboom), investigated liquid crystals (1906), as did a number of doctoral students (A.C. de Kock, 1903; A. Prins, 1907). At the university of Utrecht L.S. Ornstein, professor of physics, gave the study of liquid crystals a prominent place in his research programme. The discovery of liquid crystals, which seemed to be able to grow, move, divide, copulate, and so on, led to a discussion on the nature of these substances. Time and again Lehmann called them 'apparently living crystals', although without considering them as 'real living beings'. In his book Flüssige Kristalle und die Theorien des Lebens (1906), Lehmann proved to be an obvious adherent of the monistic views of the biologist E. Haeckel. Haeckel considered the existence of liquid crystals as proof of the unity between the inorganic and the organic world that he believed in so strongly. In his last book, Kristallseelen. Studien über das Anorganische Leben (1917), he considered

  19. Investigation on optical, electrical and etching properties of 2-aminopyridinium 4-aminobenzoate: A phase matchable organic single crystal for optoelectronic device applications

    Directory of Open Access Journals (Sweden)

    Chandra L.


    Full Text Available NLO active 2-aminopyridinium 4-aminobenzoate (APAB single crystals were successfully grown by the standard slow evaporation technique. The crystallinity of the grown crystals was analyzed through X-ray diffraction (XRD measurements. Fourier transform infrared (FT-IR spectroscopic studies were also performed for the identification of different modes present in the compound. The UV-Vis absorption and transmittance spectra were recorded for the grown crystal and the optical band gap was calculated. Birefringence and etching studies were also carried out. The dielectric study showed that the dielectric constant decreased with an increase in frequency. The photoconductivity study revealed its positive photoconducting nature. Theoretical HOMO LUMO investigations were also made for the crystal. The relative SHG efficiency of the material was investigated by the Kurtz and Perry powder technique. The phase matching property of the crystal was studied through the SHG dependence of average particle sizes.

  20. Synthesis, characterization and anti-microbial activity of pure, Cu2+ and Cd2+ doped organic NLO l-arginine trifluoroacetate single crystals (United States)

    Prasanyaa, T.; Haris, M.; Jayaramakrishnan, V.; Amgalan, M.; Mathivanan, V.


    Optically transparent Cu2+ and Cd2+ doped l-arginine trifluoroacetate (LATF) single crystals were grown from its aqueous solution using the slow solvent evaporation technique. The grown crystals were characterized by powder x-ray diffraction to confirm the monoclinic crystal structure. The percentage of transmittance measured using the ultraviolet-visible-near infrared spectrophotometer was found to be more than 80% for doped crystals. The functional group analysis of the grown crystals has been made by Fourier transform infrared spectroscopy. Thermogravimetric/differential thermal analysis was performed for the grown crystals. An atomic absorption study was carried out to determine the presence of Cu2+ and Cd2+. The hardness of the grown crystals was assessed and the results show a significant variation in the hardness value between the pure and doped LATF crystals. The second harmonic generation measurements show that Cu2+ doped LATF is 2.8 times greater and Cd2+ doped is 2.6 times greater than KDP. The anti-bacterial and anti-fungal activities of the title compound were performed using the disc diffusion method against standard bacteria Escherichia coli, Xanthomonas oryzae and against the fungus Aspergillus niger and Aspergillus flavus.

  1. Relaxor-PT Single Crystal Piezoelectric Sensors

    Directory of Open Access Journals (Sweden)

    Xiaoning Jiang


    Full Text Available Relaxor-PbTiO3 piezoelectric single crystals have been widely used in a broad range of electromechanical devices, including piezoelectric sensors, actuators, and transducers. This paper reviews the unique properties of these single crystals for piezoelectric sensors. Design, fabrication and characterization of various relaxor-PT single crystal piezoelectric sensors and their applications are presented and compared with their piezoelectric ceramic counterparts. Newly applicable fields and future trends of relaxor-PT sensors are also suggested in this review paper.

  2. Defect free single crystal thin layer

    KAUST Repository

    Elafandy, Rami Tarek Mahmoud


    A gallium nitride film can be a dislocation free single crystal, which can be prepared by irradiating a surface of a substrate and contacting the surface with an etching solution that can selectively etch at dislocations.

  3. Growth, spectral, thermal, laser damage threshold, microhardness, dielectric, linear and nonlinear optical properties of an organic single crystal: L-phenylalanine DL-mandelic acid

    Energy Technology Data Exchange (ETDEWEB)

    Jayaprakash, P. [PG & Research Department of Physics, Arignar Anna Govt. Arts College, Cheyyar 604 407, Tamil Nadu (India); Peer Mohamed, M. [PG & Research Department of Physics, Arignar Anna Govt. Arts College, Cheyyar 604 407, Tamil Nadu (India); Department of Physics, C. Abdul Hakeem College, Melvisharam 632 509, Tamil Nadu (India); Krishnan, P. [Department of Physics, St. Joseph’s College of Engineering, Chennai 600 119, Tamil Nadu (India); Nageshwari, M.; Mani, G. [PG & Research Department of Physics, Arignar Anna Govt. Arts College, Cheyyar 604 407, Tamil Nadu (India); Lydia Caroline, M., E-mail: [PG & Research Department of Physics, Arignar Anna Govt. Arts College, Cheyyar 604 407, Tamil Nadu (India)


    Single crystals of L-phenylalanine dl-mandelic acid [C{sub 9}H{sub 11}NO{sub 2}. C{sub 8}H{sub 8}O{sub 3}], have been grown by the slow evaporation technique at room temperature using aqueous solution. The single crystal XRD study confirms monoclinic system for the grown crystal. The functional groups present in the grown crystal have been identified by FTIR and FT-Raman analyses. The optical absorption studies show that the crystal is transparent in the visible region with a lower cut-off wavelength of 257 nm and the optical band gap energy E{sub g} is determined to be 4.62 eV. The Kurtz powder second harmonic generation was confirmed using Nd:YAG laser with fundamental wavelength of 1064 nm. Further, the thermal studies confirmed no weight loss up to 150°C for the as-grown crystal. The photoluminescence spectrum exhibited three peaks (414 nm, 519 nm, 568 nm) due to the donation of protons from carboxylic acid to amino group. Laser damage threshold value was found to be 4.98 GW/cm{sup 2}. The Vickers microhardness test was carried out on the grown crystals and there by Vickers hardness number (H{sub v}), work hardening coefficient (n), yield strength (σ{sub y}), stiffness constant C{sub 11} were evaluated. The dielectric behavior of the crystal has been determined in the frequency range 50 Hz–5 MHz at various temperatures.

  4. Dislocations and Grain Boundaries in Semiconducting Rubrene Single-Crystals

    Energy Technology Data Exchange (ETDEWEB)

    Chapman,B.; Checco, A.; Pindak, R.; Siegrist, T.; Kloc, C.


    Assessing the fundamental limits of the charge carrier mobilities in organic semiconductors is important for the development of organic electronics. Although devices such as organic field effect transistors (OFETs), organic thin film transistors (OTFTs) and organic light emitting diodes (OLEDs) are already used in commercial applications, a complete understanding of the ultimate limitations of performance and stability in these devices is still lacking at this time. Crucial to the determination of electronic properties in organic semiconductors is the ability to grow ultra-pure, fully ordered molecular crystals for measurements of intrinsic charge transport. Likewise, sensitive tools are needed to evaluate crystalline quality. We present a high-resolution X-ray diffraction and X-ray topography analysis of single-crystals of rubrene that are of the quality being reported to show mobilities as high as amorphous silicon. We show that dislocations and grain boundaries, which may limit charge transfer, are prominent in these crystals.

  5. The Effects of Different Electron-Phonon Couplings on the Spectral and Transport Properties of Small Molecule Single-Crystal Organic Semiconductors

    Directory of Open Access Journals (Sweden)

    Carmine Antonio Perroni


    Full Text Available Spectral and transport properties of small molecule single-crystal organic semiconductors have been theoretically analyzed focusing on oligoacenes, in particular on the series from naphthalene to rubrene and pentacene, aiming to show that the inclusion of different electron-phonon couplings is of paramount importance to interpret accurately the properties of prototype organic semiconductors. While in the case of rubrene, the coupling between charge carriers and low frequency inter-molecular modes is sufficient for a satisfactory description of spectral and transport properties, the inclusion of electron coupling to both low-frequency inter-molecular and high-frequency intra-molecular vibrational modes is needed to account for the temperature dependence of transport properties in smaller oligoacenes. For rubrene, a very accurate analysis in the relevant experimental configuration has allowed for the clarification of the origin of the temperature-dependent mobility observed in these organic semiconductors. With increasing temperature, the chemical potential moves into the tail of the density of states corresponding to localized states, but this is not enough to drive the system into an insulating state. The mobility along different crystallographic directions has been calculated, including vertex corrections that give rise to a transport lifetime one order of magnitude smaller than the spectral lifetime of the states involved in the transport mechanism. The mobility always exhibits a power-law behavior as a function of temperature, in agreement with experiments in rubrene. In systems gated with polarizable dielectrics, the electron coupling to interface vibrational modes of the gate has to be included in addition to the intrinsic electron-phonon interaction. While the intrinsic bulk electron-phonon interaction affects the behavior of mobility in the coherent regime below room temperature, the coupling with interface modes is dominant for the

  6. A study of the piezoelectric resonance in metal organic NLO single crystals: Sodium D-isoascorbate monohydrate and Lithium L-ascorbate dihydrate

    Energy Technology Data Exchange (ETDEWEB)

    Saripalli, Ravi Kiran, E-mail:; Sanath Kumar, R.; Elizabeth, Suja [Department of Physics, Indian Institute of Science, Bengaluru-560012 (India); Raghavendra Rao, K. [Department of Physics, Indian Institute of Science, Bengaluru-560012 (India); PES University, 100 Feet Ring Road,Banashankari Stage III, Banashankari, Bengaluru-560085 (India); Bhat, H. L. [Department of Physics, Indian Institute of Science, Bengaluru-560012 (India); Centre for Nano and Soft Matter Sciences, Professor UR Rao Road, Jalahalli, Bengaluru-560013 (India)


    Large single crystals of Sodium D-isoacsorbate monohydrate and Lithium L-ascorbate dehydrate were grown using solution growth technique. Dielectric constant and dielectric loss were monitored as a function of frequency at different temperatures. These are typically characterized by strong resonance peaks. The piezoelectric coefficients d{sub 31}, elastic coefficient (S{sub 11}) and electromechanical coupling coefficient (k{sub 31}) were estimated by resonance-antiresonance method. The temperature dependence of the resonance-peaks frequencies was studied.

  7. Graphene single crystals: size and morphology engineering. (United States)

    Geng, Dechao; Wang, Huaping; Yu, Gui


    Recently developed chemical vapor deposition (CVD) is considered as an effective way to large-area and high-quality graphene preparation due to its ultra-low cost, high controllability, and high scalability. However, CVD-grown graphene film is polycrystalline, and composed of numerous grains separated by grain boundaries, which are detrimental to graphene-based electronics. Intensive investigations have been inspired on the controlled growth of graphene single crystals with the absence of intrinsic defects. As the two most concerned parameters, the size and morphology serve critical roles in affecting properties and understanding the growth mechanism of graphene crystals. Therefore, a precise tuning of the size and morphology will be of great significance in scale-up graphene production and wide applications. Here, recent advances in the synthesis of graphene single crystals on both metals and dielectric substrates by the CVD method are discussed. The review mainly covers the size and morphology engineering of graphene single crystals. Furthermore, recent progress in the growth mechanism and device applications of graphene single crystals are presented. Finally, the opportunities and challenges are discussed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Synthesis, X-ray crystal structure and highly non-linear optical properties of inorganic-organic hybrid compound: 1,4-Diazbicyclo-octane oxonium tri- nitrates single crystal (United States)

    Henchiri, Rokaya; Ennaceur, Nasreddine; Cordier, Marie; Ledoux-Rak, Isabelle; Elaloui, Elimame


    A new nonlinear optical hybrid crystal 1,4-Diazbicyclo[222]octane oxonium tri-nitrates (DOTN), of the dimension 4×12×1 mm3. The crystal was grown using water as solvent at room temperature and crystal structure was determined by X-Ray diffraction respectively, this title compound was shown to crystallize in non-centrosymmetric trigonal system with space group P31c. The recorded FTIR spectrum has proven the presence of various functional groups in the grown crystal as well as the formation of DOTN. Besides, the thermal stability and melting temperature of the DOTN crystal were identified from the TG/DSC analysis. The suitability of this material for optical application was studied by non-linear optical (NLO) and UV-visible absorption techniques. Furthermore, the nonlinear optical property was analyzed by Kurtz-Perry powder technique and was 3.4 times than that of KDP (potassium dihydrogen phosphate) single crystals. The first hyperpolarizability of nitrate was determined by Second Harmonic light Scattering.

  9. Mesoscale martensitic transformation in single crystals of topological defects

    Energy Technology Data Exchange (ETDEWEB)

    Li, Xiao; Martínez-González, José A.; Hernández-Ortiz, Juan P.; Ramírez-Hernández, Abelardo; Zhou, Ye; Sadati, Monirosadat; Zhang, Rui; Nealey, Paul F.; de Pablo, Juan J.


    Liquid crystal blue phases (BPs) are highly ordered at two levels. Molecules exhibit orientational order at nanometer length scales, while chirality leads to ordered arrays of doubletwisted cylinders over micrometer scales. Past studies of polycrystalline BPs were challenged by grain boundaries between randomly oriented crystalline nanodomains. Here, the nucleation of BPs is controlled with considerable precision by relying on chemically nano-patterned surfaces, leading to macroscopic single-crystal BP specimens where the dynamics of meso-crystal formation can be directly observed. Theory and experiments show that transitions between two BPs having a different network structure proceed through local re-organization of the crystalline array, without diffusion of the double twisted cylinders. In solid crystals, martensitic transformations between crystal structures involve the concerted motion of a few atoms, without diffusion. The transformation between BPs, where crystal features arise in the sub-micron regime, is found to be martensitic in nature, with the diffusion-less feature associated to the collective behavior of the double twist cylinders. Single-crystal BPs are shown to offer fertile grounds for the study of directed crystal-nucleation and the controlled growth of soft matter.

  10. Optical, mechanical and thermal behaviors of Nitrilotriacetic acid single crystal (United States)

    Deepa, B.; Philominathan, P.


    An organic nonlinear single crystal of Nitrilotriacetic acid (NTAA) was grown for the first time by employing a simple slow evaporation technique. Single crystal X-ray diffraction (XRD) analysis reveals that the grown crystal belongs to the monoclinic system with noncentrosymmetric space group CC. Fourier transform infrared (FTIR) spectral study ascertains the presence of functional groups in NTAA. The molecular structure of the grown crystal was confirmed by Nuclear Magnetic Resonance (NMR) spectral analysis. The optical parameters such as transmittance, absorption coefficient and band gap were calculated from UV-Visible and fluorescence studies. Dielectric measurements were carried out for different frequency and temperature. The mechanical strength of the grown crystal was measured using Vickers microhardness test. The high thermal stability and the melting point of the grown crystal were also estimated using thermogravimetric (TGA) and differential thermal analyses (DTA). The confirmation of the grown crystals belonging to nonlinear optical crystals was performed by Kurtz-Perry technique and found as suitable candidate for optoelectronics applications.

  11. Friction stir welding of single crystal aluminium

    DEFF Research Database (Denmark)

    Fonda, Richard Warren; Wert, John A.; Reynolds, A.P.


    Friction stir welds were prepared in different orientations in an aluminium single crystal. The welds were quenched to preserve the microstructure surrounding the tool and then electron backscattered diffraction was used to reveal the generation of grain boundaries and the evolution...... of crystallographic texture around the tool in each weld. The extent of both dynamic recrystallisation and conventional recrystallisation varied considerably as a function of weld orientation. As the base plate begins to interact with the deformation field surrounding the tool, regions of the single crystal rotate...

  12. Crystal growth of organics for nonlinear optical applications (United States)

    Singh, N. B.; Mazelsky, R.


    The crystal growth and characterization of organic and inorganic nonlinear optical materials were extensively studied. For example, inorganic crystals such as thallium arsenic selenide were studied in our laboratory for several years and crystals in sizes over 2.5 cm in diameter are available. Organic crystals are suitable for the ultraviolet and near infrared region, but are relatively less developed than their inorganic counterparts. Very high values of the second harmonic conversion efficiency and the electro-optic coefficient were reported for organic compounds. Single crystals of a binary organic alloy based on m.NA and CNA were grown and higher second harmonic conversion efficiency than the values reported for m.NA were observed.

  13. Crystal structure and morphology of syndiotactic polypropylene single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Bu, J.Z. [GE Plastics, Washington, WV (United States); Cheng, S.Z.D. [Univ. of Akron, OH (United States)


    In the past several years there have been an increased interest in the crystal structure and morphology of s-PP due to the new development of homogeneous metallocene catalysts which can produce s-PP having a high stereoregularity. In this research, the crystal structure and morphology of s-PP single crystals grown from the melt were investigated. A series of ten fractions of s-PP was studied with different molecular weights ranging from 10,300 to 234,000 (g/mol). These fractions all possess narrow molecular weight distributions (around 1.1-1.2) and high syndiotacticities ([r]{approximately}95%). The main techniques employed including transmission electron microscopy (TEM), atomic force microscopy (AFM), wide-angle X-ray diffraction (WAXD), and small-angle X-ray scattering (SAXS).

  14. Single-Crystal Germanium Core Optoelectronic Fibers

    Energy Technology Data Exchange (ETDEWEB)

    Ji, Xiaoyu [Department of Materials Science and Engineering, Materials Research Institute, Pennsylvania State University, University Park PA 16802 USA; Page, Ryan L. [Department of Materials Science and Engineering, Materials Research Institute, Pennsylvania State University, University Park PA 16802 USA; Chaudhuri, Subhasis [Department of Chemistry, Pennsylvania State University, University Park PA 16802 USA; Liu, Wenjun [Advanced Photon Source, Argonne National Laboratory, Argonne IL 60439 USA; Yu, Shih-Ying [Department of Materials Science and Engineering, Materials Research Institute, Pennsylvania State University, University Park PA 16802 USA; Mohney, Suzanne E. [Department of Materials Science and Engineering, Materials Research Institute, Pennsylvania State University, University Park PA 16802 USA; Badding, John V. [Department of Materials Science and Engineering, Materials Research Institute, Pennsylvania State University, University Park PA 16802 USA; Department of Chemistry, Pennsylvania State University, University Park PA 16802 USA; Department of Physics, Pennsylvania State University, University Park PA 16802 USA; Gopalan, Venkatraman [Department of Materials Science and Engineering, Materials Research Institute, Pennsylvania State University, University Park PA 16802 USA


    Synthesis and fabrication of high-quality, small-core single-crystal germanium fibers that are photosensitive at the near-infrared and have low optical losses ≈1 dB cm-1 at 2 μm are reported. These fibers have potential applications in fiber-based spectroscopic imaging, nonlinear optical devices, and photodetection at the telecommunication wavelengths.

  15. Ionic conduction of lithium hydride single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Pilipenko, G.I.; Oparin, D.V.; Zhuravlev, N.A.; Gavrilov, F.F.


    Using the electrical-conductivity- and NMR-measurement- methods, the ionic-conduction mechanism is established in stoichiometric lithium hydride single crystals. The activation energies of migration of anion- and cation-vacancies and the formation of Schottky-pair defects are determined. They assume that the mechanisms of self-diffusion and conductivity are different in lithium hydride.

  16. Systematic hardness measurements on single crystals and ...

    Indian Academy of Sciences (India)

    Vickers and knoop hardness measurements were carried out on CsBr and CsI single crystals. Polycrystalline blanks of CsCl, CsBr and CsI were prepared by melting and characterized by X-ray diffraction. Vickers hardness measurements were carried out on these blanks. The hardness values were correlated with the lattice ...

  17. Systematic hardness measurements on single crystals and ...

    Indian Academy of Sciences (India)


    Indian Academy of Sciences. 203. Systematic hardness measurements on single crystals and polycrystalline blanks of cesium halides. D B SIRDESHMUKH*, P GEETA KRISHNA and K G SUBHADRA. Department of Physics, Kakatiya University, Warangal 506 009, India. MS received 1 June 2001; revised 29 March 2002.

  18. Neutron forward diffraction by single crystal prisms

    Indian Academy of Sciences (India)

    Abstract. We have derived analytic expressions for the deflection as well as transmitted fraction of monochromatic neutrons forward diffracted by a single crystal prism. In the vicinity of a Bragg reflection, the neutron deflection deviates sharply from that for an amorphous prism, exhibiting three orders of magnitude greater ...

  19. Antiferromagnetism in chromium alloy single crystals

    DEFF Research Database (Denmark)

    Bjerrum Møller, Hans; Trego, A.L.; Mackintosh, A.R.


    The antiferromagnetism of single crystals of dilute alloys of V, Mn and Re in Cr has been studied at 95°K and 300°K by neutron diffraction. The addition of V causes the diffraction peaks to decrease in intensity and move away from (100), while Mn and Re cause them to increase and approach (100) s...

  20. Growth of single-crystal gallium nitride (United States)

    Clough, R.; Richman, D.; Tietjen, J.


    Use of ultrahigh purity ammonia prevents oxygen contamination of GaN during growth, making it possible to grow the GaN at temperatures as high as 825 degrees C, at which point single crystal wafers are deposited on /0001/-oriented sapphire surfaces.

  1. Positioning and joining of organic single-crystalline wires (United States)

    Wu, Yuchen; Feng, Jiangang; Jiang, Xiangyu; Zhang, Zhen; Wang, Xuedong; Su, Bin; Jiang, Lei


    Organic single-crystal, one-dimensional materials can effectively carry charges and/or excitons due to their highly ordered molecule packing, minimized defects and eliminated grain boundaries. Controlling the alignment/position of organic single-crystal one-dimensional architectures would allow on-demand photon/electron transport, which is a prerequisite in waveguides and other optoelectronic applications. Here we report a guided physical vapour transport technique to control the growth, alignment and positioning of organic single-crystal wires with the guidance of pillar-structured substrates. Submicrometre-wide, hundreds of micrometres long, highly aligned, organic single-crystal wire arrays are generated. Furthermore, these organic single-crystal wires can be joined within controlled angles by varying the pillar geometries. Owing to the controllable growth of organic single-crystal one-dimensional architectures, we can present proof-of-principle demonstrations utilizing joined wires to allow optical waveguide through small radii of curvature (internal angles of ~90–120°). Our methodology may open a route to control the growth of organic single-crystal one-dimensional materials with potential applications in optoelectronics. PMID:25814032

  2. Growth of ninhydrin single crystal and its characterization (United States)

    Uma Devi, T.; Lawrence, N.; Ramesh Babu, R.; Ramamurthi, K.; Bhagavannarayana, G.


    A novel organic nonlinear optical crystal ninhydrin having good optical quality was grown by solution technique using aqua solution. The quality of the crystal was also examined by high-resolution X-ray diffraction study. Solubility studies were made at different temperatures. Functional groups present in the grown material were identified from the vibrational frequencies of recorded FTIR spectrum. Transmittance of the crystal was recorded using the UV-vis-NIR spectrophotometer. From the thermal analysis it was observed that the material exhibits single sharp melting point. The fluorescence spectrum of ninhydrin was recorded. The Vicker's microhardness values were measured for the grown crystal. Second harmonic generation conversion efficiency estimated using Kurtz and Perry method is about five times that of KDP.

  3. Growth and characterization of urea sulphamic acid single crystals (United States)

    Chinnasamy, E.; Senthil, S.


    Single crystal of Urea Sulphamic acid (USA) single crystals were grown and harvested successfully at room temperature by slow solvent evaporation method. The cell parameters of the grown crystal were determined by single crystal X-ray diffraction analysis. The presence of various functional groups in the crystal is confirmed by FT-IR analysis. The optical transmission study reveals the transparency of the crystal and its optical band gap is found to be 4.74 eV. The crystal quality can be further examined by the time resolved Photoluminescence Spectroscopy. Laser damage threshold study was also carried for the grown crystal.

  4. Dissolution kinetics of paracetamol single crystals. (United States)

    Prasad, Korlakunte V R; Ristic, Radoljub I; Sheen, David B; Sherwood, John N


    The dissolution anisotropy of paracetamol crystals grown in the presence and absence of the molecularly similar additive, p-acetoxyacetanilide (PAA) was studied under controlled conditions using a single crystal dissolution method in undersaturated aqueous solutions. Linear dissolution rates were determined for all the major habit faces by measuring their movement (regression) with time in a flow cell using a microscope. The rates of dissolution of particular faces of the pure material were distinctly different in crystals of different morphology grown at different supersaturations. The dissolution rates of [001] and [110] faces of crystals grown in the presence of PAA (6.02% w/w in solution) are higher than those of pure paracetamol. The results correlate with the distribution of strain in the crystal and support the concept that integral strain increases the solubility and hence the dissolution rate of the material. The mechanism of the dissolution process at the [001], [201;] and [110] faces was defined using optical microscopy and X-ray topography. At all undersaturations above 1% the dissolution studies yielded well developed, structurally oriented, etch pits on both [001] and [201;] faces while on the [110] face rough shallow etch pits were observed. On all three faces, this etch-pitting was considerably more widespread than the dislocation content of the sector and probably reflects a 2-dimensional nucleation process rather than a dislocation controlled mechanism.

  5. A novel organic nonlinear optical crystal: Creatininium succinate

    Energy Technology Data Exchange (ETDEWEB)

    Thirumurugan, R.; Anitha, K., E-mail: singlecerystalxrd@gmail.ciom [School of Physics, Madurai Kamraj University, Madurai 625021 (India)


    A novel organic material complex of creatininium succinate (CS) has been synthesized and single crystals were grown by the reaction of creatinine and succinic acid from aqueous solution by employing the technique of slow evaporation at room temperature. The structure of the grown crystal has been elucidated using single crystal X-ray diffraction analysis and the structure was refined by least-squares method to R = 0.027 for 1840 reflections. FT-IR spectral investigation has been carried out to identify the various functional groups in the title compound. UV–Vis transmission was carried out which shows the crystal has a good optical transmittance in the visible region with lower cutoff wavelength around 220 nm. Nonlinear optical property of the crystal was confirmed by Kurtz-Perry powder technique.

  6. Biomineralization of nanoscale single crystal hydroxyapatite. (United States)

    Omokanwaye, Tiffany; Wilson, Otto C; Gugssa, Ayelle; Anderson, Winston


    The chemical and physical characteristics of nanocrystalline hydroxyapatite particles which formed during the subcutaneous implantation of crab shell in Sprague-Dawley rats were studied using selected area electron diffraction (SAED) and high resolution transmission electron microscopy (HRTEM). The initial SAED characterization evidence indicated the presence of an amorphous calcium phosphate phase. The electron dense nanophase particles which formed in the wound healing zone displayed broad diffuse rings which usually indicate a low crystalline order or amorphous phase. High resolution transmission electron microscopy (HRTEM) revealed that these mineralized regions contained discrete single crystal particles less than 5nm in size. Micrographs taken at successively higher magnifications revealed very small nanoparticles with a hexagonal arrangement of ion channels with characteristic spacing of 0.54nm and 0.23nm. This study revealed that single crystal hydroxyapatite nanoparticles consisting of only a few unit cells formed via a biomineralization directed process. Copyright © 2015 Elsevier B.V. All rights reserved.

  7. Single-crystal vanadium pentoxide nanowires. (United States)

    Gao, Shaokang; Chen, Yuzhen; Luo, Haiyan; Jiang, Lilong; Ye, Binghuo; Wei, Mingdeng; Wei, Kemei


    Single-crystal V2O5 nanowires were successfully synthesized from the starting materials V6O13 powder and water. The experimental results indicate that high purity nanowires can be obtained using this simple synthetic route in absence of templates or catalysts. The diameter of the nanowires was found to be ca. 20 approximately 60 nm and the length up to several tens of micrometers, and the phases of nanowires were determined by XRD and TEM measurements.

  8. Biomineralization of nanoscale single crystal hydroxyapatite

    Energy Technology Data Exchange (ETDEWEB)

    Omokanwaye, Tiffany [Catholic University of America, BONE/CRAB Lab, Department of Biomedical Engineering, Washington, DC 20064 (United States); Wilson, Otto C., E-mail: [Catholic University of America, BONE/CRAB Lab, Department of Biomedical Engineering, Washington, DC 20064 (United States); Gugssa, Ayelle; Anderson, Winston [Howard University, Department of Biology, Washington, DC (United States)


    The chemical and physical characteristics of nanocrystalline hydroxyapatite particles which formed during the subcutaneous implantation of crab shell in Sprague–Dawley rats were studied using selected area electron diffraction (SAED) and high resolution transmission electron microscopy (HRTEM). The initial SAED characterization evidence indicated the presence of an amorphous calcium phosphate phase. The electron dense nanophase particles which formed in the wound healing zone displayed broad diffuse rings which usually indicate a low crystalline order or amorphous phase. High resolution transmission electron microscopy (HRTEM) revealed that these mineralized regions contained discrete single crystal particles less than 5 nm in size. Micrographs taken at successively higher magnifications revealed very small nanoparticles with a hexagonal arrangement of ion channels with characteristic spacing of 0.54 nm and 0.23 nm. This study revealed that single crystal hydroxyapatite nanoparticles consisting of only a few unit cells formed via a biomineralization directed process. - Highlights: • Nanocrystalline particles were formed during in vivo implantation of crab shell using a rat model. • High resolution TEM revealed that nanoparticles were single crystals and less than 5 nm in size. • The relative distance between spots matches the expected values for hydroxyapatite.

  9. Single Crystals of Organolead Halide Perovskites: Growth, Characterization, and Applications

    KAUST Repository

    Peng, Wei


    With the soaring advancement of organolead halide perovskite solar cells rising from a power conversion efficiency of merely 3% to more than 22% shortly in five years, researchers’ interests on this big material family have been greatly spurred. So far, both in-depth studies on the fundamental properties of organolead halide perovskites and their extended applications such as photodetectors, light emitting diodes, and lasing have been intensively reported. The great successes have been ascribed to various superior properties of organolead halide hybrid perovskites such as long carrier lifetimes, high carrier mobility, and solution-processable high quality thin films, as will be discussed in Chapter 1. Notably, most of these studies have been limited to their polycrystalline thin films. Single crystals, as a counter form of polycrystals, have no grain boundaries and higher crystallinity, and thus less defects. These characteristics gift single crystals with superior optical, electrical, and mechanical properties, which will be discussed in Chapter 2. For example, organolead halide perovskite single crystals have been reported with much longer carrier lifetimes and higher carrier mobilities, which are especially intriguing for optoelectronic applications. Besides their superior optoelectronic properties, organolead halide perovskites have shown large composition versatility, especially their organic components, which can be controlled to effectively adjust their crystal structures and further fundamental properties. Single crystals are an ideal platform for such composition-structure-property study since a uniform structure with homogeneous compositions and without distraction from grain boundaries as well as excess defects can provide unambiguously information of material properties. As a major part of work of this dissertation, explorative work on the composition-structure-property study of organic-cation-alloyed organolead halide perovskites using their single

  10. Single Molecule Studies on Dynamics in Liquid Crystals


    Daniela Täuber; Christian von Borczyskowski


    Single molecule (SM) methods are able to resolve structure related dynamics of guest molecules in liquid crystals (LC). Highly diluted small dye molecules on the one hand explore structure formation and LC dynamics, on the other hand they report about a distortion caused by the guest molecules. The anisotropic structure of LC materials is used to retrieve specific conformation related properties of larger guest molecules like conjugated polymers. This in particular sheds light on organization...

  11. High Field Magnetization of Tb Single Crystals

    DEFF Research Database (Denmark)

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


    The magnetization of Tb single crystals was measured in magnetic fields to 34T along the hard direction at temperature of 1.8, 4.2, 65.5 and 77K, and along with easy direction at 4.2 and 77K. The data are compared with the results of a self-consistent spin wave calculation using a phenomenologica...... data on Tb. The conduction-electron polarization at zero field and temperature is (0.33+or-0.05) mu B/ion, and the susceptibility is greater than the Pauli susceptibility calculated from the band-structure.......The magnetization of Tb single crystals was measured in magnetic fields to 34T along the hard direction at temperature of 1.8, 4.2, 65.5 and 77K, and along with easy direction at 4.2 and 77K. The data are compared with the results of a self-consistent spin wave calculation using a phenomenological...... Hamiltonian including isotropic exchange interactions, effective single-ion anisotropy and magnetoelastic contributions. The parameters of this Hamiltonian were determined by fitting the theoretical results for the spin wave dispersion and energy gap as a function of temperature and magnetic field to existing...

  12. Structural, Linear, and Nonlinear Optical and Mechanical Properties of New Organic L-Serine Crystal

    Directory of Open Access Journals (Sweden)

    K. Rajesh


    Full Text Available Nonlinear optical single crystal of organic amino acid L-Serine (LS was grown by slow evaporation technique. Solubility study of the compound was measured and metastable zone width was found. Single crystal X-ray diffraction study was carried out for the grown crystal. The linear and nonlinear optical properties of the crystal were confirmed by UV-Vis analysis and powder SHG tester. FT-IR spectrum was recorded and functional groups were analyzed. Vickers’ microhardness studies showed the mechanical strength of the grown crystal. Laser damage threshold value of the crystal was calculated. Photoconductivity studies reveal the conductivity of the crystal.

  13. Growth rate study of canavalin single crystals (United States)

    Demattei, R. C.; Feigelson, R. S.


    The dependence on supersaturation of the growth rate of single crystals of the protein canavalin is studied. In the supersaturation ranges studied, the rate-limiting step for growth is best described by a screw dislocation mechanism associated with interface attachment kinetics. Using a ln-ln plot, the growth-rate data is found to fit a predictive relationship of the form G = 0.012 x the supersaturation to the 6.66, which, together with the solubility curves, allows the growth rate to be estimated under a variety of conditions.

  14. Optical properties of lithium niobate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Palatnikov, M.N.; Sidorov, N.V.; Biryukova, I.V.; Kalinnikov, V.T. [Institute of Chemistry, Kola Science Centre RAS, 26a Fersman str., 184200 Apatity, Murmansk region (Russian Federation); Bormanis, K. [Institute of Solid State Physics, University of Latvia, 8 Kengaraga str., Riga, LV-1063 (Latvia)


    Studies of thermal and {gamma}-irradiation effects on the optical properties in congruous lithium niobate single crystals containing Y, Mg, Gd, B, and Zn dopants including samples with double dopants Y, Mg and Gd, Mg are reported. Formation of defects at irradiation and thermal treatment of the samples is explored by electron absorption spectra. Considerable increase of absorption with the dose of {gamma}-radiation is observed at 500 nm. The changes of absorption examined under different conditions are explained by creation and destruction of Nb{sup 4+} defects. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  15. Investigation on crystalline perfection, mechanical, piezoelectric and ferroelectric properties of L-tartaric acid single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Murugan, G. Senthil, E-mail:; Ramasamy, P., E-mail: [Centre for Crystal Growth, SSN College of Engineering, Kalavakkam, Tamilnadu - 603110 (India)


    Polar organic nonlinear optical material, L-tartaric acid single crystals have been grown from slow evaporation solution growth technique. Single crystal X-ray diffraction study indicates that the grown crystal crystallized in monoclinic system with space group P2{sub 1}. Crystalline perfection of the crystal has been evaluated by high resolution X-ray diffraction technique and it reveals that the crystal quality is good and free from structural grain boundaries. Mechanical stability of the crystal has been analyzed by Vickers microhardness measurement and it exhibits reverse indentation size effect. Piezoelectric d{sub 33} co-efficient for the crystal has been examined and its value is 47 pC/N. The ferroelectric behaviour of the crystal was analyzed by polarization-electric field hysteresis loop measurement.

  16. Single crystal: Urea bisthiourea sodium acetate synthesis, growth and characterization (United States)

    Manickam, R.; Srinivasan, G.


    Crystals of urea bisthiourea sodium acetate (UBTSA) were successfully grown from an aqueous solution by slow evaporation method at room temperature. Recrystallization process was used to increase the purity of the grown crystal. The grown crystals were characterized by single crystal XRD, FT-Raman, UV and TGA/DTA analysis. Structure and unit cell parameters were determined by single crystal XRD. Functional groups of grown crystal and their modes of vibration were identified using FT-Raman spectral analysis. Absorbance percentage of the grown crystal was studied using UV analysis. Thermo gravimetric analysis and differential thermal analysis reveal that the good thermal stability of the material.

  17. Magnetic anisotropy in pyroxene single crystals (United States)

    Biedermann, Andrea Regina; Hirt, Ann Marie; Pettke, Thomas; Bender Koch, Christian


    Anisotropy of magnetic susceptibility (AMS) is often used as a proxy for the mineral fabric in a rock. This requires understanding the intrinsic magnetic anisotropy of the minerals that define the rock fabric. With their prismatic habit, pyroxenes describe the texture in mafic and ultramafic rocks. Magnetic anisotropy in pyroxene crystals often arises from both paramagnetic and ferromagnetic components that can be separated from high-field magnetic data. The paramagnetic component is related to the silicate lattice, whereas the ferromagnetic part arises from the magnetic properties of ferromagnetic inclusions that were further characterized by isothermal remanent magnetization measurements. These inclusions often have needle-like habit and are located on the well-defined cleavage planes within the pyroxenes. We characterize low-field and high-field AMS in pyroxene single crystals of diverse orthopyroxene and clinopyroxene minerals. In addition to the magnetic measurements, we analyzed their chemical composition and Fe2+/Fe3+ distribution. The anisotropy arising from inclusions in some augite crystals displays consistent principal susceptibility directions, whereas no preferred orientation is found in other crystals. The principal susceptibilities of the paramagnetic component can be related to the crystal lattice, with the intermediate susceptibility parallel to the b-axis, and minimum and maximum in the a-c-plane for diopside, augite and spodumene. The degree of anisotropy increases with iron concentration. Aegirine shows a different behavior; not only is its maximum susceptibility parallel to the c-axis, but the anisotropy degree is also lower in relation to its iron concentration. This possibly relates to a predominance of Fe3+ in aegirine, whereas Fe2+ is dominant in the other minerals. In orthopyroxene, the maximum susceptibility is parallel to the c-axis and the minimum is parallel to b. The degree of anisotropy increases linearly with iron concentration. The

  18. The new single crystal diffractometer SC3

    Energy Technology Data Exchange (ETDEWEB)

    Schefer, J.; Koch, M.; Keller, P.; Fischer, S.; Thut, R. [Lab. for Neutron Scattering ETH Zurich, Zurich (Switzerland) and Paul Scherrer Institute, Villigen (Switzerland)


    Single crystal diffraction is a powerful method for the determination of precise structure parameters, superlattices, stress. Neutron single crystal diffraction gives additionally to X-rays information on magnetic structures, both commensurate and incommensurate, hydrogen positions, hydrogen bonding behavior and accurate bondlengths, e.g. important in cuprates. The method is therefore especially powerful if combined with X-ray diffraction results. The new instrument at SINQ has been designed for inorganic materials and is positioned at a thermal beam tube, pointing on a water scatterer. This scatterer is presently operating with H{sub 2}O at ambient temperature, but a change to another medium at different temperature is possible. The instrument will be equipped with three area detectors, moving at fixed difference in 2{Theta}. each detector may be individually moved around a vertical circle (tilting angle {gamma}), allowing to use not only 4-circle geometry in the temperature range from 1.5 to 380 K, but also any equipment from a dilution refrigerator (7 mK) to a heavy magnet. A high temperature furnace for 4-circle geometry is foreseen as a future option. (author) 6 figs., 1 tab., 7 refs.

  19. Growth of single crystals of BaFe12O19 by solid state crystal growth (United States)

    Fisher, John G.; Sun, Hengyang; Kook, Young-Geun; Kim, Joon-Seong; Le, Phan Gia


    Single crystals of BaFe12O19 are grown for the first time by solid state crystal growth. Seed crystals of BaFe12O19 are buried in BaFe12O19+1 wt% BaCO3 powder, which are then pressed into pellets containing the seed crystals. During sintering, single crystals of BaFe12O19 up to ∼130 μm thick in the c-axis direction grow on the seed crystals by consuming grains from the surrounding polycrystalline matrix. Scanning electron microscopy-energy dispersive spectroscopy analysis shows that the single crystal and the surrounding polycrystalline matrix have the same chemical composition. Micro-Raman scattering shows the single crystal to have the BaFe12O19 structure. The optimum growth temperature is found to be 1200 °C. The single crystal growth behavior is explained using the mixed control theory of grain growth.

  20. Hematin crystallization from aqueous and organic solvents (United States)

    Ketchum, Megan A.; Olafson, Katy N.; Petrova, Elena V.; Rimer, Jeffrey D.; Vekilov, Peter G.


    Hematin crystallization is the main mechanism of detoxification of heme that is released in malaria-infected erythrocytes as a byproduct of the hemoglobin catabolism by the parasite. A controversy exists over whether hematin crystals grow from the aqueous medium of the parasite's digestive vacuole or in the lipid bodies present in the vacuole. To this end, we compare the basic thermodynamic and structural features of hematin crystallization in an aqueous buffer at pH 4.8, as in the digestive vacuole, and in water-saturated octanol that mimics the environment of the lipid nanospheres. We show that in aqueous solutions, hematin aggregation into mesoscopic disordered clusters is insignificant. We determine the solubility of the β-hematin crystals in the pH range 4.8-7.6. We image by atomic force microscopy crystals grown at pH 4.8 and show that their macroscopic and mesoscopic morphology features are incompatible with those reported for biological hemozoin. In contrast, crystals grown in the presence of octanol are very similar to those extracted from parasites. We determine the hematin solubility in water-saturated octanol at three temperatures. These solubilities are four orders of magnitude higher than that at pH 4.8, providing for faster crystallization from organic than from aqueous solvents. These observations further suggest that the lipid bodies play a role in mediating biological hemozoin crystal growth to ensure faster heme detoxification.

  1. Solid state single crystal growth of three-dimensional faceted LaFeAsO crystals (United States)

    Kappenberger, Rhea; Aswartham, Saicharan; Scaravaggi, Francesco; Blum, Christian G. F.; Sturza, Mihai I.; Wolter, Anja U. B.; Wurmehl, Sabine; Büchner, Bernd


    Solid state single crystal growth (SSCG) is a crystal growth technique where crystals are grown from a polycrystalline matrix. Here, we present single crystals of the iron pnictide LaFeAsO grown via SSCG using NaAs as a liquid phase to aid crystallization. The size of the as-grown crystals are up to 2 × 3 × 0.4 mm3. Typical for this method, but very uncommon for crystals of the pnictide superconductors and especially for the oxypnictides, the crystals show pronounced facets caused by considerable growth in c direction. The crystals were characterized regarding their composition, structure, magnetic, and thermodynamic properties. This sets the stage for further measurements for which single crystals are crucial such as any c axis and reciprocal space dependent measurements.

  2. Solar cell structure incorporating a novel single crystal silicon material (United States)

    Pankove, Jacques I.; Wu, Chung P.


    A novel hydrogen rich single crystal silicon material having a band gap energy greater than 1.1 eV can be fabricated by forming an amorphous region of graded crystallinity in a body of single crystalline silicon and thereafter contacting the region with atomic hydrogen followed by pulsed laser annealing at a sufficient power and for a sufficient duration to recrystallize the region into single crystal silicon without out-gassing the hydrogen. The new material can be used to fabricate semiconductor devices such as single crystal silicon solar cells with surface window regions having a greater band gap energy than that of single crystal silicon without hydrogen.

  3. Single crystal growth and anisotropic crystal-fluid interface tension in soft colloidal systems

    NARCIS (Netherlands)

    Nguyen, V.D.; Hu, Z.; Schall, P.


    We measure the anisotropy of the crystal-fluid interfacial free energy in soft colloidal systems. A temperature gradient is used to direct crystal nucleation and control the growth of large single crystals in order to achieve well-equilibrated crystal-fluid interfaces. Confocal microscopy is used to

  4. Hydrogen Annealing Of Single-Crystal Superalloys (United States)

    Smialek, James L.; Schaeffer, John C.; Murphy, Wendy


    Annealing at temperature equal to or greater than 2,200 degrees F in atmosphere of hydrogen found to increase ability of single-crystal superalloys to resist oxidation when subsequently exposed to oxidizing atmospheres at temperatures almost as high. Supperalloys in question are principal constituents of hot-stage airfoils (blades) in aircraft and ground-based turbine engines; also used in other high-temperature applications like chemical-processing plants, coal-gasification plants, petrochemical refineries, and boilers. Hydrogen anneal provides resistance to oxidation without decreasing fatigue strength and without need for coating or reactive sulfur-gettering constituents. In comparison with coating, hydrogen annealing costs less. Benefits extend to stainless steels, nickel/chromium, and nickel-base alloys, subject to same scale-adhesion and oxidation-resistance considerations, except that scale is chromia instead of alumina.

  5. Vibration-assisted machining of single crystal (United States)

    Zahedi, S. A.; Roy, A.; Silberschmidt, V. V.


    Vibration-assisted machining offers a solution to expanding needs for improved machining, especially where accuracy and precision are of importance, such as in micromachining of single crystals of metals and alloys. Crystallographic anisotropy plays a crucial role in determining on overall response to machining. In this study, we intend to address the matter of ultra-precision machining of material at the micron scale using computational modelling. A hybrid modelling approach is implemented that combines two discrete schemes: smoothed particle hydrodynamics and continuum finite elements. The model is implemented in a commercial software ABAQUS/Explicit employing a user-defined subroutine (VUMAT) and used to elucidate the effect of crystallographic anisotropy on a response of face centred cubic (f.c.c.) metals to machining.

  6. Photoluminescent properties of single crystal diamond microneedles (United States)

    Malykhin, Sergey A.; Ismagilov, Rinat R.; Tuyakova, Feruza T.; Obraztsova, Ekaterina A.; Fedotov, Pavel V.; Ermakova, Anna; Siyushev, Petr; Katamadze, Konstantin G.; Jelezko, Fedor; Rakovich, Yury P.; Obraztsov, Alexander N.


    Single crystal needle-like diamonds shaped as rectangular pyramids were produced by combination of chemical vapor deposition and selective oxidation with dimensions and geometrical characteristics depending on the deposition process parameters. Photoluminescence spectra and their dependencies on wavelength of excitation radiation reveal presence of nitrogen- and silicon-vacancy color centers in the diamond crystallites. Photoluminescence spectra, intensity mapping, and fluorescence lifetime imaging microscopy indicate that silicon-vacancy centers are concentrated at the crystallites apex while nitrogen-vacancy centers are distributed over the whole crystallite. Dependence of the photoluminescence on excitation radiation intensity demonstrates saturation and allows estimation of the color centers density. The combination of structural parameters, geometry and photoluminescent characteristics are prospective for advantageous applications of these diamond crystallites in quantum information processing and optical sensing.

  7. Chiral multichromic single crystals for optical devices (LDRD 99406).

    Energy Technology Data Exchange (ETDEWEB)

    Kemp, Richard Alan; Felix, Ana M. (University of New Mexico, Albuquerque, NM)


    This report summarizes our findings during the study of a novel system that yields multi-colored materials as products. This system is quite unusual as it leads to multi-chromic behavior in single crystals, where one would expect that only a single color would exist. We have speculated that these novel solids might play a role in materials applications such as non-linear optics, liquid crystal displays, piezoelectric devices, and other similar applications. The system examined consisted of a main-group alkyl compound (a p block element such as gallium or aluminum) complexed with various organic di-imines. The di-imines had substituents of two types--either alkyl or aromatic groups attached to the nitrogen atoms. We observed that single crystals, characterized by X-ray crystallography, were obtained in most cases. Our research during January-July, 2006, was geared towards understanding the factors leading to the multi-chromic nature of the complexes. The main possibilities put forth initially considered (a) the chiral nature of the main group metal, (b) possible reduction of the metal to a lower-valent, radical state, (c) the nature of the ligand(s) attached to the main group metal, and (d) possible degradation products of the ligand leading to highly-colored products. The work carried out indicates that the most likely explanation considered involves degradation of the aromatic ligands (a combination of (c) and (d)), as the experiments performed can clearly rule out (a) and (b).

  8. Porosity Evolution in a Creeping Single Crystal (Preprint) (United States)


    mechanism. Our analyses focus on the role of stress state on deformation and void growth in ductile single crystals in the dislocation creep regime. We also...orientation effects on void growth and coalescence in fcc single crystals . International Journal of Plasticity, 22, 921-942. [27] Kysar J.W., Gan Y.X...AFRL-RX-WP-TP-2012-0373 POROSITY EVOLUTION IN A CREEPING SINGLE CRYSTAL (PREPRINT) A. Srivastava and A. Needleman University of North

  9. Growth of Organic Crystals by Ostwald Ripening (United States)

    Egbert, W.; Podsiadly, C.; Naumann, R.


    The objective of this investigation is to evaluate the growth of various organic crystals by chemical precipitation and Ostwald ripening. Six precipitation reactors were flown on STS-51A. Five of the reactors contained proprietary materials. The sixth contained urea dissolved in ethanol with toluene as the precipitating agent. The size distribution will be analyzed and compared with a similar model being developed.

  10. Cryogenic Fluid Transfer Components Using Single Crystal Piezoelectric Actuators Project (United States)

    National Aeronautics and Space Administration — Cryogenic fluid transfer components using single crystal piezoelectric actuators are proposed to enable low thermal mass, minimal heat leak, low power consumption...

  11. Composite single crystal silicon scan mirror substrates Project (United States)

    National Aeronautics and Space Administration — Single crystal silicon is a desirable mirror substrate for scan mirrors in space telescopes. As diameters of mirrors become larger, existing manufacturing...

  12. Single Molecule Studies on Dynamics in Liquid Crystals

    Directory of Open Access Journals (Sweden)

    Daniela Täuber


    Full Text Available Single molecule (SM methods are able to resolve structure related dynamics of guest molecules in liquid crystals (LC. Highly diluted small dye molecules on the one hand explore structure formation and LC dynamics, on the other hand they report about a distortion caused by the guest molecules. The anisotropic structure of LC materials is used to retrieve specific conformation related properties of larger guest molecules like conjugated polymers. This in particular sheds light on organization mechanisms within biological cells, where large molecules are found in nematic LC surroundings. This review gives a short overview related to the application of highly sensitive SM detection schemes in LC.

  13. Employing a cylindrical single crystal in gas-surface dynamics

    NARCIS (Netherlands)

    Hahn, C.; Shan, J.; Liu, Y.; Berg, O.; Kleijn, A. W.; Juurlink, L. B. F.


    We describe the use of a polished, hollow cylindrical nickel single crystal to study effects of step edges on adsorption and desorption of gas phase molecules. The crystal is held in an ultra-high vacuum apparatus by a crystal holder that provides axial rotation about a [100] direction, and a

  14. Development of n- and p-type Doped Perovskite Single Crystals Using Solid-State Single Crystal Growth (SSCG) Technique (United States)


    develop a new single crystal growth method which is suitable to grow chemically uniform and large “n- and p-type doped” perovskite single crystals...boundary are also fabricated using diffusion bonding process of two single crystal plates. These results demonstrate that the SSCG (solid-state...that can be used to develop new non-linear dielectrics for high-voltage and high-power applications. A major need is to better understand their

  15. Single-molecule probes in organic field-effect transistors

    NARCIS (Netherlands)

    Nicolet, Aurélien Armel Louis


    The goal of this thesis is to study charge transport phenomena in organic materials. This is done optically by means of single-molecule spectroscopy in a field-effect transistor based on a molecular crystal. We present (in Chapter 2) a fundamental requirement for single-molecule spectroscopy

  16. Single crystal growth in spin-coated films of polymorphic phthalocyanine derivative under solvent vapor

    Energy Technology Data Exchange (ETDEWEB)

    Higashi, T.; Ohmori, M.; Ramananarivo, M. F.; Fujii, A., E-mail:; Ozaki, M. [Division of Electrical, Electronic, and Information Engineering, Graduate School of Engineering, Osaka University, Suita, Osaka 565-0871 (Japan)


    The effects of solvent vapor on spin-coated films of a polymorphic phthalocyanine derivative were investigated. Growth of single crystal films via redissolving organic films under solvent vapor was revealed by in situ microscopic observations of the films. X-ray diffraction measurement of the films after exposing to solvent vapor revealed the phase transition of polymorphs under solvent vapor. The direction of crystal growth was clarified by measuring the crystal orientation in a grown monodomain film. The mechanism of crystal growth based on redissolving organic films under solvent vapor was discussed in terms of the different solubilities of the polymorphs.

  17. Employing a cylindrical single crystal in gas-surface dynamics


    Hahn, C.; Shan, J.; Liu, Y.; Berg, O.; Kleijn, A.W.; Juurlink, L.B.F.


    We describe the use of a polished, hollow cylindrical nickel single crystal to study effects of step edges on adsorption and desorption of gas phase molecules. The crystal is held in an ultra-high vacuum apparatus by a crystal holder that provides axial rotation about a [100] direction, and a crystal temperature range of 89 to 1100 K. A microchannel plate-based low energy electron diffraction/retarding field Auger electron spectrometer (AES) apparatus identifies surface structures present on ...

  18. Growth and Characterization on PMN-PT-Based Single Crystals

    Directory of Open Access Journals (Sweden)

    Jian Tian


    Full Text Available Lead magnesium niobate—lead titanate (PMN-PT single crystals have been successfully commercialized in medical ultrasound imaging. The superior properties of PMN-PT crystals over the legacy piezoelectric ceramics lead zirconate titanate (PZT enabled ultrasound transducers with enhanced imaging (broad bandwidth and improved sensitivity. To obtain high quality and relatively low cost single crystals for commercial production, PMN-PT single crystals were grown with modified Bridgman method, by which crystals were grown directly from stoichiometric melt without flux. For ultrasound imaging application, [001] crystal growth is essential to provide uniform composition and property within a crystal plate, which is critical for transducer performance. In addition, improvement in crystal growth technique is under development with the goals of improving the composition homogeneity along crystal growth direction and reducing unit cost of crystals. In recent years, PIN-PMN-PT single crystals have been developed with higher de-poling temperature and coercive field to provide improved thermal and electrical stability for transducer application.

  19. Bulk Crystal Growth of Nonlinear Optical Organic Materials Using Inverted Vertical Gradient Freeze Method (United States)

    Choi, J.; Cruz, Magda; Metzl, R.; Wang, W. S.; Aggarwal, M. D.; Penn, Benjamin G.; Frazier, Donald O.


    A new process for producing large bulk single crystals of benzil (C6H5COCOC6H5) is reported in this paper. Good quality crystals have been successfully grown using this approach to crystal growth. This method seems to be very promising for other thermally stable NLO organic materials also. The entire contents vycor crucible 1.5 inch in diameter and 2 inch deep was converted to single crystal. Purity of the starting growth material is also an important factor in the final quality of the grown crystals. The entire crystal can be very easily taken out of the crucible by simple maneuvering. Initial characterization of the grown crystals indicated that the crystals are as good as other crystals grown by conventional Bridgman Stockbarger technique.

  20. Growth features of ammonium hydrogen d-tartrate single crystals

    Indian Academy of Sciences (India)


    Growth features of ammonium hydrogen d-tartrate single crystals. G SAJEEVKUMAR*, R RAVEENDRAN, ... Ammonium hydrogen d-tartrate (d-AHT) single crystals were grown in silica gel. The growth fea- tures of these .... tables 1 and 2 summarize the results of the experiments car- ried out. The tables indicate that with a ...

  1. Single crystal micromechanical resonator and fabrication methods thereof

    Energy Technology Data Exchange (ETDEWEB)

    Olsson, Roy H.; Friedmann, Thomas A.; Homeijer, Sara Jensen; Wiwi, Michael; Hattar, Khalid Mikhiel; Clark, Blythe; Bauer, Todd; Van Deusen, Stuart B.


    The present invention relates to a single crystal micromechanical resonator. In particular, the resonator includes a lithium niobate or lithium tantalate suspended plate. Also provided are improved microfabrication methods of making resonators, which does not rely on complicated wafer bonding, layer fracturing, and mechanical polishing steps. Rather, the methods allow the resonator and its components to be formed from a single crystal.

  2. Conformal transistor arrays based on solution-processed organic crystals. (United States)

    Zhao, Xiaoli; Zhang, Bing; Tang, Qingxin; Ding, Xueyan; Wang, Shuya; Zhou, Yuying; Tong, Yanhong; Liu, Yichun


    Conformal transistor array based on solution-processed organic crystals, which can provide sensory and scanning features for monitoring, biofeedback, and tracking of physiological function, presents one of the most promising technologies for future large-scale low-cost wearable and implantable electronics. However, it is still a huge challenge for the integration of solution-processed organic crystals into conformal FETs owing to a generally existing swelling phenomenon of the elastic materials and the lack of the corresponding device fabrication technology. Here, we present a promising route to fabricate a conformal field-effect transistor (FET) array based on solution-processed TIPS-pentacene single-crystal micro/nanowire array. By simply drop-casting the organic solution on an anti-solvent photolithography-compatible electrode with bottom-contact coplanar configuration, the transistor array can be formed and can conform onto uneven objects. Excellent electrical properties with device yield as high as 100%, field-effect mobility up to 0.79 cm 2 V -1 s -1 , low threshold voltage, and good device uniformity are demonstrated. The results open up the capability of solution-processed organic crystals for conformal electronics, suggesting their substantial promise for next-generation wearable and implantable electronics.

  3. Single crystal to single crystal transformation and hydrogen-atom transfer upon oxidation of a cerium coordination compound. (United States)

    Williams, Ursula J; Mahoney, Brian D; Lewis, Andrew J; DeGregorio, Patrick T; Carroll, Patrick J; Schelter, Eric J


    Trivalent and tetravalent cerium compounds of the octamethyltetraazaannulene (H2omtaa) ligand have been synthesized. Electrochemical analysis shows a strong thermodynamic preference for the formal cerium(IV) oxidation state. Oxidation of the cerium(III) congener Ce(Homtaa)(omtaa) occurs by hydrogen-atom transfer that includes a single crystal to single crystal transformation upon exposure to an ambient atmosphere.

  4. High-quality bulk hybrid perovskite single crystals within minutes by inverse temperature crystallization

    KAUST Repository

    Saidaminov, Makhsud I.


    Single crystals of methylammonium lead trihalide perovskites (MAPbX3; MA=CH3NH3+, X=Br− or I−) have shown remarkably low trap density and charge transport properties; however, growth of such high-quality semiconductors is a time-consuming process. Here we present a rapid crystal growth process to obtain MAPbX3 single crystals, an order of magnitude faster than previous reports. The process is based on our observation of the substantial decrease of MAPbX3 solubility, in certain solvents, at elevated temperatures. The crystals can be both size- and shape-controlled by manipulating the different crystallization parameters. Despite the rapidity of the method, the grown crystals exhibit transport properties and trap densities comparable to the highest quality MAPbX3 reported to date. The phenomenon of inverse or retrograde solubility and its correlated inverse temperature crystallization strategy present a major step forward for advancing the field on perovskite crystallization.

  5. Excitonic polaritons of zinc diarsenide single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Syrbu, N.N., E-mail: [Technical University of Moldova, Chisinau, Republic of Moldova (Moldova, Republic of); Stamov, I.G. [T.G. Shevchenko State University of Pridnestrovie, Tiraspol, Republic of Moldova (Moldova, Republic of); Zalamai, V.V. [Institute of Applied Physics, Academy of Sciences of Moldova, Chisinau, Republic of Moldova (Moldova, Republic of); Dorogan, A. [Technical University of Moldova, Chisinau, Republic of Moldova (Moldova, Republic of)


    Excitonic polaritons of ZnAs{sub 2} single crystals had been investigated. Parameters of singlet excitons with Г{sub 2}¯(z) symmetry and orthoexcitons 2Г{sub 1}¯(y)+Г{sub 2}¯(x) had been determined. Spectral dependencies of ordinary and extraordinary dispersion of refractive index had been calculated using interferential reflection and transmittance spectra. It was shown, that A excitonic series were due to hole (V{sub 1}) and electron (C{sub 1}) bands. The values of effective masses of electrons (m{sub c}{sup *}=0.10 m{sub 0}) and holes (m{sub v1}{sup *}=0.89 m{sub 0}) had been estimated. It was revealed that the hole mass m{sub v1}{sup *} changes from 1.03 m{sub 0} to 0.55 m{sub 0} at temperature increasing from 10 K up to 230 K and that the electron mass m{sub c}{sup *} does not depend on temperature. The integral absorption A (eV cm{sup −1}) of the states n=1, 2 and 3 of Г{sub 2}¯(z) excitons depends on the A{sub n}≈n{sup −3} equality, which it is characteristic for S-type excitonic functions. Temperature dependences of the integral absorption of ground states for Г{sub 2}¯(z) and Г{sub 2}¯(Ñ…) excitons differ. The ground states of B and C excitons formed by V{sub 3} – C{sub 1} and V{sub 4} – C{sub 1} bands and its parameters had been determined.

  6. "Predicting" Polymorphs of Pharmaceuticals Using Hydrogen Bond Propensities: Probenecid and Its Two Single-Crystal-to-Single-Crystal Phase Transitions. (United States)

    Nauha, Elisa; Bernstein, Joel


    The recently developed hydrogen-bonding propensity tool in the Cambridge Structural Database software package (Mercury) was tested to predict polymorphs. The compounds for the study were chosen from a list of approximately 300 pharmaceutically important compounds, for which multiple crystal forms had not been previously reported. The hydrogen-bonding propensity analysis was carried out on approximately 60 randomly selected compounds from this list. Several compounds with a high probability for exhibiting polymorphism in the analysis were chosen for a limited experimental crystal form screening. One of the compounds, probenecid, did not yield polymorphs by traditional solution crystallization screening, but differential scanning calorimetry revealed three polymorphs. All of them exhibit the same hydrogen bonding and transform via two reversible single-crystal-to single-crystal transformations, which have been characterized in detail through three single-crystal structure determinations at appropriate temperatures. © 2015 Wiley Periodicals, Inc. and the American Pharmacists Association.

  7. Structural, spectral and birefringence studies of semiorganic nonlinear optical single crystal: Calcium5-sulfosalicylate (United States)

    Shalini, D.; Kalainathan, S.; Ambika, V. Revathi; Hema, N.; Jayalakshmi, D.


    Semi-organic nonlinear optical crystal Calcium5-Sulfosalicylate (CA5SS) was grown by slow evaporation solution growth technique. The cell parameters and molecular structure of the grown crystal were studied by single crystal x-ray diffraction analysis. The presence of various functional groups of the grown crystal was confirmed using Fourier transform infrared (FT-IR), Fourier transform Raman (FT-Raman) analysis. UV-Visible spectrum shows that CA5SS crystals have high transmittance in the range of 330-900 nm. The refractive index, birefringence and transient photoluminescence properties of the grown crystal were analyzed. The frequency doubling of the grown crystal (CA5SS) were studied and compared with that of KDP.

  8. Strain-relief by single dislocation loops in calcite crystals grown on self-assembled monolayers. (United States)

    Ihli, Johannes; Clark, Jesse N; Côté, Alexander S; Kim, Yi-Yeoun; Schenk, Anna S; Kulak, Alexander N; Comyn, Timothy P; Chammas, Oliver; Harder, Ross J; Duffy, Dorothy M; Robinson, Ian K; Meldrum, Fiona C


    Most of our knowledge of dislocation-mediated stress relaxation during epitaxial crystal growth comes from the study of inorganic heterostructures. Here we use Bragg coherent diffraction imaging to investigate a contrasting system, the epitaxial growth of calcite (CaCO3) crystals on organic self-assembled monolayers, where these are widely used as a model for biomineralization processes. The calcite crystals are imaged to simultaneously visualize the crystal morphology and internal strain fields. Our data reveal that each crystal possesses a single dislocation loop that occupies a common position in every crystal. The loops exhibit entirely different geometries to misfit dislocations generated in conventional epitaxial thin films and are suggested to form in response to the stress field, arising from interfacial defects and the nanoscale roughness of the substrate. This work provides unique insight into how self-assembled monolayers control the growth of inorganic crystals and demonstrates important differences as compared with inorganic substrates.

  9. A Single Crystal Niobium RF Cavity of the TESLA Shape (United States)

    Singer, W.; Singer, X.; Kneisel, P.


    A fabrication method for single crystal niobium cavities of the TESLA shape was proposed on the basis of metallographic investigations and electron beam welding tests on niobium single crystals. These tests showed that a cavity can be produced without grain boundaries even in the welding area. An appropriate annealing allows the outgassing of hydrogen and stress relaxation of the material without destruction of the single crystal. A prototype single crystal single cell cavity was build. An accelerating gradient of 37.5 MV/m was reached after approximately 110 μm of Buffered Chemical Polishing (BCP) and in situ baking at 120°C for 6 hrs with a quality factor exceeding 2×1010 at 1.8 K. The developed fabrication method can be extended to fabrication of multi cell cavities.

  10. Morphological and FTIR Studies of Barium Oxalate Single Crystals

    Directory of Open Access Journals (Sweden)

    Shedam M. R.


    Full Text Available The conditions for the gel growth of barium oxalate single crystals in silica gels were studied in this paper. We describe the growth mechanism, effect concentration of feed solution, interchanging of the reactants, the effect of temperature and detailed study of microstructures of barium oxalate single crystals. At higher concentration of feed solution dense fibers were observed. With interchanged feed solution precipitate and spherulites have been obtained. The effect of temperature on growth barium oxalate crystals showed that there was a decrease in nucleation density at higher temperature. The crystals growth were observed under the electron microscope which revealed that the crystal have needle and spherulites structures. We also report the FTIR studies of barium oxalate crystals.

  11. Single crystal Processing and magnetic properties of gadolinium nickel

    Energy Technology Data Exchange (ETDEWEB)

    Shreve, Andrew John [Iowa State Univ., Ames, IA (United States)


    GdNi is a rare earth intermetallic material that exhibits very interesting magnetic properties. Spontaneous magnetostriction occurs in GdNi at T{sub C}, on the order of 8000ppm strain along the c-axis and only until very recently the mechanism causing this giant magnetostriction was not understood. In order to learn more about the electronic and magnetic structure of GdNi, single crystals are required for anisotropic magnetic property measurements. Single crystal processing is quite challenging for GdNi though since the rare-earth transition-metal composition yields a very reactive intermetallic compound. Many crystal growth methods are pursued in this study including crucible free methods, precipitation growths, and specially developed Bridgman crucibles. A plasma-sprayed Gd2O3 W-backed Bridgman crucible was found to be the best means of GdNi single crystal processing. With a source of high-quality single crystals, many magnetization measurements were collected to reveal the magnetic structure of GdNi. Heat capacity and the magnetocaloric effect are also measured on a single crystal sample. The result is a thorough report on high quality single crystal processing and the magnetic properties of GdNi.

  12. Growth of bulk single crystals of urea for photonic applications (United States)

    Saranraj, Arumugam; Sathiyadhas, Sahaya Jude Dhas; Jose, Michael; Martin Britto Dhas, Sathiyadhas Amalapusham


    We report the growth of technologically important urea crystals of record size (48 × 16 × 8 mm3) by doping sulfuric acid and employing slow evaporation technique. The grown crystal was identified by single crystal X-Ray diffraction and FTIR spectral analysis. Optical properties of the grown crystal were analyzed by UV-Vis spectrum and the presence of H2SO4 was confirmed by EDAX analysis. Thermogravimetric analysis, Differential Scanning Calorimetry and Photo acoustic studies were also carried out to determine the thermal properties of the grown crystal. The dielectric properties for wide range of frequencies (1 Hz to 1 MHz) at different temperatures (35, 40, 60, 80, 100 °C) were analyzed. The second harmonic conversion efficiency of the grown H2SO4 doped urea crystal was found to be 3.75 times higher than the commercially available KDP crystals. [Figure not available: see fulltext.

  13. Growth of bulk single crystals of urea for photonic applications (United States)

    Saranraj, Arumugam; Dhas, Sathiyadhas Sahaya Jude; Jose, Michael; Martin Britto Dhas, Sathiyadhas Amalapusham


    We report the growth of technologically important urea crystals of record size (48 × 16 × 8 mm3) by doping sulfuric acid and employing slow evaporation technique. The grown crystal was identified by single crystal X-Ray diffraction and FTIR spectral analysis. Optical properties of the grown crystal were analyzed by UV-Vis spectrum and the presence of H2SO4 was confirmed by EDAX analysis. Thermogravimetric analysis, Differential Scanning Calorimetry and Photo acoustic studies were also carried out to determine the thermal properties of the grown crystal. The dielectric properties for wide range of frequencies (1 Hz to 1 MHz) at different temperatures (35, 40, 60, 80, 100 °C) were analyzed. The second harmonic conversion efficiency of the grown H2SO4 doped urea crystal was found to be 3.75 times higher than the commercially available KDP crystals. [Figure not available: see fulltext.

  14. High-quality single crystals for neutron experiments

    Indian Academy of Sciences (India)

    To make headway on any problem in physics, high-quality single crystals are required. In this talk, special emphasis ... produces crystals of superior quality, circumventing many of the problems associated with, for example, flux growth from the melt. .... In these materials, it is possible to control the electric polarization by the ...

  15. Detection of anomalies in NLO sulphamic acid single crystals by ...

    Indian Academy of Sciences (India)

    The ultrasonic pulse echo overlap technique (PEO) has been used to measure the velocities of 10 MHz acoustic waves in sulphamic acid single crystals in the range of 300–400 K. This study evaluated all the elastic stiffnessconstants, compliance constants and Poisson's ratios of the crystal. The temperature variations of the ...

  16. Growth features of ammonium hydrogen d-tartrate single crystals

    Indian Academy of Sciences (India)

    Ammonium hydrogen -tartrate (-AHT) single crystals were grown in silica gel. The growth features of these crystals with variation of parameters like specific gravity of the gel, gel pH, acid concentrations, concentration of the feed solution and gel age were studied in detail.

  17. Plasticity size effects in tension and compression of single crystals

    NARCIS (Netherlands)

    Deshpande, VS; Needleman, A; Van der Giessen, E


    The effect of size and loading conditions on the tension and compression stress-strain response of micron-sized planar crystals is investigated using discrete dislocation plasticity. The crystals are taken to have a single active slip system and both small-strain and finite-strain analyses are

  18. Photon Cascade from a Single Crystal Phase Nanowire Quantum Dot

    DEFF Research Database (Denmark)

    Bouwes Bavinck, Maaike; Jöns, Klaus D; Zieliński, Michal


    We report the first comprehensive experimental and theoretical study of the optical properties of single crystal phase quantum dots in InP nanowires. Crystal phase quantum dots are defined by a transition in the crystallographic lattice between zinc blende and wurtzite segments and therefore offe...

  19. Zinc (tris) thiourea sulphate (ZTS): A single crystal neutron diffraction ...

    Indian Academy of Sciences (India)

    tal which is used for electro-optical (EO) applications and frequency doubling of near IR laser radiations. In this study, the crystal structure of ZTS has been ob- tained in detail by single crystal neutron diffraction technique. Using the structural parameters and an existing formalism [1] based on the theory of bond polarizability,.

  20. Anisotropic surface hole-transport property of triphenylamine-derivative single crystal prepared by solution method

    Energy Technology Data Exchange (ETDEWEB)

    Umeda, Minoru, E-mail: [Nagaoka University of Technology, Kamitomioka, Nagaoka, Niigata 940-2188 (Japan); Katagiri, Mitsuhiko; Shironita, Sayoko [Nagaoka University of Technology, Kamitomioka, Nagaoka, Niigata 940-2188 (Japan); Nagayama, Norio [Nagaoka University of Technology, Kamitomioka, Nagaoka, Niigata 940-2188 (Japan); Ricoh Company, Ltd., Nishisawada, Numazu, Shizuoka 410-0007 (Japan)


    Highlights: • A hole transport molecule was investigated based on its electrochemical redox characteristics. • The solubility and supersolubility curves of the molecule were measured in order to prepare a large crystal. • The polarization micrograph and XRD results revealed that a single crystal was obtained. • An anisotropic surface conduction, in which the long-axis direction exceeds that of the amorphous layer, was observed. • The anisotropic surface conduction was well explained by the molecular stacked structure. - Abstract: This paper reports the anisotropic hole transport at the triphenylamine-derivative single crystal surface prepared by a solution method. Triphenylamine derivatives are commonly used in a hole-transport material for organic photoconductors of laser-beam printers, in which the materials are used as an amorphous form. For developing organic photovoltaics using the photoconductor’s technology, preparation of a single crystal seems to be a specific way by realizing the high mobility of an organic semiconductor. In this study, a single crystal of 4-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)-benzenamine (TPA) was prepared and its anisotropic hole-transport property measured. First, the hole-transport property of the TPA was investigated based on its chemical structure and electrochemical redox characteristics. Next, a large-scale single crystal formation at a high rate was developed by employing a solution method based on its solubility and supersolubility curves. The grown TPA was found to be a single crystal based on the polarization micrograph observation and crystallographic analysis. For the TPA single crystal, an anisotropic surface conduction was found, which was well explained by its molecular stack structure. The measured current in the long-axis direction is one order of magnitude greater than that of amorphous TPA.

  1. Dielectric behaviour of strontium tartrate single crystals

    Indian Academy of Sciences (India)


    (Rahimkutty et al 2001). Nonlinear optical devices based on second harmonic generation, crystal oscillators and rescuators, and devices to central laser emission are some of these applications. It has also been identified as a strategic material with a global business potential. (Selvasekarapandian et al 1999). TGA and DTA ...

  2. HEiDi: Single crystal diffractometer at hot source

    Directory of Open Access Journals (Sweden)

    Martin Meven


    Full Text Available The single crystal diffractometer HEiDi, which is operated by the Institute of Crystallography, RWTH Aachen University and JCNS, Forschungszentrum Jülich, is designed for detailed studies on structural and magnetic properties of single crystals using unpolarised neutrons and Bragg’s Law: 2dhklsinθ = λ (typically 0.55 Å <λ< 1.2 Å.

  3. Process for Forming a High Temperature Single Crystal Canted Spring (United States)

    DeMange, Jeffrey J (Inventor); Ritzert, Frank J (Inventor); Nathal, Michael V (Inventor); Dunlap, Patrick H (Inventor); Steinetz, Bruce M (Inventor)


    A process for forming a high temperature single crystal canted spring is provided. In one embodiment, the process includes fabricating configurations of a rapid prototype spring to fabricate a sacrificial mold pattern to create a ceramic mold and casting a canted coiled spring to form at least one canted coil spring configuration based on the ceramic mold. The high temperature single crystal canted spring is formed from a nickel-based alloy containing rhenium using the at least one coil spring configuration.

  4. Solvent exchange in a metal–organic framework single crystal monitored by dynamic in situ X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Cox, Jordan M.; Walton, Ian M.; Bateman, Gage; Benson, Cassidy A.; Mitchell, Travis; Sylvester, Eric; Chen, Yu-Sheng; Benedict, Jason B. (UC); (Buffalo)


    Understanding the processes by which porous solid-state materials adsorb and release guest molecules would represent a significant step towards developing rational design principles for functional porous materials. To elucidate the process of liquid exchange in these materials, dynamicin situX-ray diffraction techniques have been developed which utilize liquid-phase chemical stimuli. Using these time-resolved diffraction techniques, the ethanol solvation process in a flexible metal–organic framework [Co(AIP)(bpy)0.5(H2O)]·2H2O was examined. The measurements provide important insight into the nature of the chemical transformation in this system including the presence of a previously unreported neat ethanol solvate structure.

  5. Optical properties of single crystals and vacuum-deposited thin films of a substituted oligo(p-phenylene vinylene)

    NARCIS (Netherlands)

    Brouwer, H.J.; Krasnikov, V.V.; Gill, R.E.; Hutten, P.F. van; Hadziioannou, G.


    The optical properties and structural organization of a 5-ring n-octyloxy-substituted oligo(p-phenylene vinylene) have been investigated in the solid state. For this study solution-grown single crystals and vacuum-deposited thin films were used. The unit cell of the solution-grown single crystals

  6. Crystal growth and characterization of third order nonlinear optical piperazinium bis(4-hydroxybenzenesulphonate) (P4HBS) single crystal (United States)

    Pichan, Karuppasamy; Muthu, Senthil Pandian; Perumalsamy, Ramasamy


    The organic single crystal of piperazinium bis(4-hydroxybenzenesulphonate) (P4HBS) was grown by slow evaporation solution technique (SEST) at room temperature. The lattice parameters of the grown crystal were confirmed by single crystal X-ray diffraction analysis. Functional groups of P4HBS crystal were confirmed by FTIR spectrum analysis. The optical quality of the grown crystal was identified by the UV-Vis NIR spectrum analysis. The grown crystal has good optical transmittance in the range of 410-1100 nm. In photoluminescence spectrum, sharp emission peaks are observed, which indicates the ultraviolet (UV) emission. The photoconductivity study reveals that the grown crystal has negative photoconductive nature. The thermal behaviour of the P4HBS crystal was investigated by thermogravimetric and differential thermal analysis (TG-DTA). The mechanical stability of grown crystal was analyzed and the indentation size effect (ISE) was explained by Hays-Kendall's (HK) approach and proportional specimen resistance model (PSRM). Chemical etching study was carried out and the etch pit density (EPD) was calculated. The dielectric constant (ε‧) and dielectric loss (tan δ) as a function of frequency were measured for the grown crystal. The solid state parameters such as valence electron, plasma energy, Penn gap and Fermi energy were evaluated theoretically for the P4HBS using the empirical relation. The estimated values are used to calculate the electronic polarizability. The third-order nonlinear optical properties such as nonlinear refractive index (n2), absorption co-efficient (β) and susceptibility (χ(3)) were studied by Z-scan technique at 632.8 nm using He-Ne laser.

  7. Mesoporous zeolite single crystals for catalytic hydrocarbon conversion

    DEFF Research Database (Denmark)

    Schmidt, I.; Christensen, C.H.; Hasselriis, Peter


    Recently, mesoporous zeolite single crystals were discovered. They constitute a novel family of materials that features a combined micropore and mesopore architecture within each individual crystal. Here, we briefly summarize recent catalytic results from cracking and isomerization of alkalies......, alkylation of aromatics and present new results on isomerization of aromatics. Specifically, the shape-selective isomerization of meta-xylenc into para-xylene and ortho-xylene is studied. In all these reactions, rnesoporous zeolite single crystals prove to be unique catalysts since they provide easy...

  8. Shock Driven Twinning in Tantalum Single Crystals

    Energy Technology Data Exchange (ETDEWEB)

    McNaney, J M; HSUING, L M; Barton, N R; Kumar, M


    Recovery based observations of high pressure material behavior generated under high explosively driven flyer based loading conditions are reported. Two shock pressures, 25, and 55 GPa and four orientations {l_brace}(100), (110), (111), (123){r_brace} were considered. Recovered material was characterized using electron backscatter diffraction along with a limited amount of transmission electron microscopy to assess the occurrence of twinning under each test condition. Material recovered from 25 GPa had a very small fraction of twinning for the (100), (110), and (111) oriented crystals while a more noticeable fraction of the (123) oriented crystal was twinned. Material recovered from 55 GPa showed little twinning for (100) orientation slightly more for the (111) orientation and a large area fraction for the (123) orientation. The EBSD and TEM observations of the underlying deformation substructure are rationalized by comparing with previous static and dynamic results.

  9. Effect of Crystal Orientation on Fatigue Failure of Single Crystal Nickel Base Turbine Blade Superalloys (United States)

    Arakere, N. K.; Swanson, G.


    High cycle fatigue (HCF) induced failures in aircraft gas turbine and rocket engine turbopump blades is a pervasive problem. Single crystal nickel turbine blades are being utilized in rocket engine turbopumps and jet engines throughout industry because of their superior creep, stress rupture, melt resistance, and thermomechanical fatigue capabilities over polycrystalline alloys. Currently the most widely used single crystal turbine blade superalloys are PWA 1480/1493, PWA 1484, RENE' N-5 and CMSX-4. These alloys play an important role in commercial, military and space propulsion systems. Single crystal materials have highly orthotropic properties making the position of the crystal lattice relative to the part geometry a significant factor in the overall analysis. The failure modes of single crystal turbine blades are complicated to predict due to the material orthotropy and variations in crystal orientations. Fatigue life estimation of single crystal turbine blades represents an important aspect of durability assessment. It is therefore of practical interest to develop effective fatigue failure criteria for single crystal nickel alloys and to investigate the effects of variation of primary and secondary crystal orientation on fatigue life. A fatigue failure criterion based on the maximum shear stress amplitude /Delta(sub tau)(sub max))] on the 24 octahedral and 6 cube slip systems, is presented for single crystal nickel superalloys (FCC crystal). This criterion reduces the scatter in uniaxial LCF test data considerably for PWA 1493 at 1200 F in air. Additionally, single crystal turbine blades used in the alternate advanced high-pressure fuel turbopump (AHPFTP/AT) are modeled using a large-scale three-dimensional finite element model. This finite element model is capable of accounting for material orthotrophy and variation in primary and secondary crystal orientation. Effects of variation in crystal orientation on blade stress response are studied based on 297

  10. Studies on growth and spectral characterization of diglycine fumarate monohydrate single crystals (United States)

    Antony Joseph, A.; Ramachandra Raja, C.


    Single crystals of organic optical material, diglycine fumarate monohydrate (DGFM) has been synthesized and grown from solution by slow evaporation solution growth method. Purity of synthesized materials was increased by continuous recrystallization. The lattice parameters of the grown crystals are observed by X-ray diffraction method and the crystal system of grown crystal is identified as monoclinic. The optical transparency range has been investigated by UV-Vis-NIR spectroscopy method in the range between 190 and 1100 nm. The presence of different modes of vibrations is analyzed using FT-IR technique. The carbon and hydrogen atmosphere in molecular structure of DGFM is investigated using FT-NMR method. The thermogravimetrrc analysis (TGA), differential thermal analysis (DTA) and differential scanning calorimetry (DSC) analysis shows that the grown crystal has very good thermal stability up to 263 °C. The Kurtz-Perry powder SHG test has done for grown crystals.

  11. Single crystal growth of the intermetallic compound InPd (United States)

    Hahne, Michael; Gille, Peter


    Quite recently intermetallic compounds have been investigated as catalysts for heterogeneous catalysis as they can be highly active regarding a specific reaction and often show advantages in selectivity and long-term stability. The intermetallic phase InPd (CsCl structure type) is considered to be a possible catalyst for methanol steam reforming. Single crystals are needed to study the basic processes of catalysis. Using the Czochralski technique, InPd single crystals were grown from In-rich solutions as to reduce the vapor pressure of In. The crystals show some unusual rough surface morphology and gradients concerning the main components composition. By adjusting the growth parameters like growth temperature and growth rate we succeeded to get inclusion-free single crystals.

  12. A single crystal neutron diffraction study on mixed crystal (K)0.25 ...

    Indian Academy of Sciences (India)


    Feb 2, 2018 ... A single crystal neutron diffraction study on mixed crystal. (K)0.25(NH4)0.75H2PO4: tuning of short strong hydrogen bonds by ionic interactions. RAJUL RANJAN CHOUDHURY. ∗ and R CHITRA. Solid State Physics Division, Bhabha Atomic Research Center, ...

  13. Excitons in ultrathin organic-inorganic perovskite crystals (United States)

    Yaffe, Omer; Chernikov, Alexey; Norman, Zachariah M.; Zhong, Yu; Velauthapillai, Ajanthkrishna; van der Zande, Arend; Owen, Jonathan S.; Heinz, Tony F.


    We demonstrate the formation of large sheets of layered organic-inorganic perovskite (OIPC) crystals, as thin as a single unit cell, prepared by mechanical exfoliation. The resulting two-dimensional OIPC nanosheets of 2.4 nm thickness are direct semiconductors with an optical band gap of 2.4 eV. They exhibit unusually strong light-matter interaction with an optical absorption as high as 25% at the main excitonic resonance, as well as bright photoluminescence. We extract an exciton binding energy of 490 meV from measurement of the series of excited exciton states. The properties of the excitons are shown to be strongly influenced by the changes in the dielectric surroundings. The environmental sensitivity of these ultrathin OIPC sheets is further reflected in the strong suppression of a thermally driven phase transition present in the bulk crystals.

  14. Organometallic halide perovskite single crystals having low deffect density and methods of preparation thereof

    KAUST Repository

    Bakr, Osman M.


    The present disclosure presents a method of making a single crystal organometallic halide perovskites, with the formula: AMX3, wherein A is an organic cation, M is selected from the group consisting of: Pb, Sn, Cu, Ni, Co, Fe, Mn, Pd, Cd, Ge, and Eu, and X is a halide. The method comprises the use of two reservoirs containing different precursors and allowing the vapor diffusion from one reservoir to the other one. A solar cell comprising said crystal is also disclosed.

  15. Facile growth of a single-crystal pattern: a case study of HKUST-1. (United States)

    Li, Shaozhou; Lu, Guang; Huang, Xiao; Li, Hai; Sun, Yinghui; Zhang, Hua; Chen, Xiaodong; Huo, Fengwei


    In order to fabricate metal-organic framework (MOF) based devices, it is desirable to precisely position high-quality and mono-sized MOF crystals on supports. In this work, we demonstrate a facile solution procedure for the fabrication of oriented and monodispersed single-crystal MOF pattern. We expect that such capability will expand the scope of applications of MOFs to advanced fields.

  16. Anisotropy of Single-Crystal Silicon in Nanometric Cutting. (United States)

    Wang, Zhiguo; Chen, Jiaxuan; Wang, Guilian; Bai, Qingshun; Liang, Yingchun


    The anisotropy exhibited by single-crystal silicon in nanometric cutting is very significant. In order to profoundly understand the effect of crystal anisotropy on cutting behaviors, a large-scale molecular dynamics model was conducted to simulate the nanometric cutting of single-crystal silicon in the (100)[0-10], (100)[0-1-1], (110)[-110], (110)[00-1], (111)[-101], and (111)[-12-1] crystal directions in this study. The simulation results show the variations of different degrees in chip, subsurface damage, cutting force, and friction coefficient with changes in crystal plane and crystal direction. Shear deformation is the formation mechanism of subsurface damage, and the direction and complexity it forms are the primary causes that result in the anisotropy of subsurface damage. Structurally, chips could be classified into completely amorphous ones and incompletely amorphous ones containing a few crystallites. The formation mechanism of the former is high-pressure phase transformation, while the latter is obtained under the combined action of high-pressure phase transformation and cleavage. Based on an analysis of the material removal mode, it can be found that compared with the other crystal direction on the same crystal plane, the (100)[0-10], (110)[-110], and (111)[-101] directions are more suitable for ductile cutting.

  17. Surface-assisted single-crystal formation of charged colloids (United States)

    Arai, Shunto; Tanaka, Hajime


    Substrate-induced heterogeneous nucleation is a promising way to form an extended single crystal with few defects while controlling its direction. Despite its technological importance, however, the physics behind this process has remained elusive. By studying the kinetic pathway of crystal nucleation and growth at a single-particle level both experimentally and numerically, we reveal that the keys to substrate-induced monomorphic single-crystal formation are matching of the angular symmetry between locally favoured structures formed in a supercooled liquid and the most stable crystal and non-trivial coupling of the former to substrate-induced layering in the liquid. These two conditions are crucial for direct formation of the most stable crystal while keeping its unique direction relative to the substrate. We also discuss special features of charged systems. Our finding indicates that pre-ordering in a supercooled liquid state under the influence of a substrate largely dominates the course of future crystallization, providing new insights into the control of heterogeneous crystallization.

  18. Corelli: Efficient single crystal diffraction with elastic discrimination

    Indian Academy of Sciences (India)

    technique for efficient measurement of single crystal diffuse scattering with energy discrim- ination, as will be implemented in a novel instrument, Corelli. Utilizing full experiment simulations, we show that this technique readily leads up to a fifty-fold gain in efficiency, as compared to traditional methods, for measuring single ...

  19. Single mode dye-doped polymer photonic crystal lasers

    DEFF Research Database (Denmark)

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


    Dye-doped polymer photonic crystal (PhC) lasers fabricated by combined nanoimprint and photolithography are studied for their reproducibility and stability characteristics. We introduce a phase shift in the PhC lattice that substantially improves the yield of single wavelength emission. Single mode...

  20. Growth, structural and characterization of a novel third order nonlinear optical Benzimidazolium Maleate single crystal (United States)

    Amudha, M.; Muthu, S.; Gunasekaran, B.; Praveen Kumar, P.


    Good optical quality single crystals of Benzimidazolium Maleate (BML), a new organic charge transfer molecular complex salt, were grown successfully by the slow evaporation solution growth technique using deionised water as solvent at room temperature. The grown crystals of BML were characterised by single crystal X-ray diffraction (XRD) and powder XRD which confirm that the crystal belongs to monoclinic system with the centrosymmetric space group P21/n. The presence of functional groups in the grown crystal was confirmed by Fourier transform infrared spectral analysis. The BML crystal is thermally stable up to 147.7 °C and it is found by TG-DTA analysis. The transparency of the crystal was identified using UV-Vis spectrophotometer. Vickers microhardness analysis shows the mechanical stability of the grown crystal. The dependence of dielectric properties with frequency and temperature were also studied. Nonlinear optical absorption coefficient determined from open aperture Z-scan analysis revealed that the BML crystal can serve as a promising candidate for optical limiting applications.

  1. Inspection of Single Crystal Aerospace Components with Ultrasonic Arrays (United States)

    Lane, C. J. L.; Dunhill, A.; Drinkwater, B. W.; Wilcox, P. D.


    Single crystal metal alloys are used extensively in the manufacture of jet engine components for their excellent mechanical properties at elevated temperatures. The increasing use of these materials and demand for longer operational life and improved reliability motivates the requirement to have capable NDE methods available. Ultrasonic arrays are well established at detecting sub-surface defects however these methods are not currently suitable to the inspection of single crystal components due to their high elastic anisotropy causing directional variation in ultrasonic waves. In this paper a model of wave propagation in anisotropic material is used to correct an ultrasonic imaging algorithm and is applied to single crystal test specimens. The orientation of the crystal in a specimen must be known for this corrected-algorithm; therefore a crystal orientation method is also presented that utilizes surface skimming longitudinal waves under a 2D array. The work detailed in this paper allows an ultrasonic 2D array to measure the orientation of a single crystal material and then perform accurate volumetric imaging to detect and size defects.

  2. Growth and Characterization of Morpholium Cadmium Acetoperchlorate Single Crystal

    Directory of Open Access Journals (Sweden)

    D. Shyamala


    Full Text Available In the search for novel crystal with promising nonlinear optical properties an attempt is made to grow morpholium cadmium aceto-perchlorate single crystals. The title compound is synthesized by slow evaporation technique at room temperature. The powder X-ray diffraction pattern has been recorded and the various planes of reflections are identified. The transmittance spectrum of the crystal in the UV–Vis region has been obtained. Using the FTIR spectrum, the vibrational modes of the crystal is analysed and the presence of cadmium in the crystal is confirmed. Thermogravimetric analysis and differential thermal analysis studies have been done to assess the thermal stability of the grown crystal. The dielectric measurement for the crystal is carried out in the range of 50 Hz to 5 MHz for three different temperatures 40ºC, 80ºC and 120ºC to study the electrical nature of the grown crystal. The nonlinear optical property of the grown crystal is confirmed.

  3. Crystallinity of the epitaxial heterojunction of C60 on single crystal pentacene (United States)

    Tsuruta, Ryohei; Mizuno, Yuta; Hosokai, Takuya; Koganezawa, Tomoyuki; Ishii, Hisao; Nakayama, Yasuo


    The structure of pn heterojunctions is an important subject in the field of organic semiconductor devices. In this work, the crystallinity of an epitaxial pn heterojunction of C60 on single crystal pentacene is investigated by non-contact mode atomic force microscopy and high-resolution grazing incidence x-ray diffraction. Analysis shows that the C60 molecules assemble into grains consisting of single crystallites on the pentacene single crystal surface. The in-plane mean crystallite size exceeds 0.1 μm, which is at least five time larger than the size of crystallites deposited onto polycrystalline pentacene thin films grown on SiO2. The results indicate that improvement in the crystal quality of the underlying molecular substrate leads to drastic promotion of the crystallinity at the organic semiconductor heterojunction.

  4. Geometric constraints on phase coexistence in vanadium dioxide single crystals. (United States)

    McGahan, Christina; Gamage, Sampath; Liang, Jiran; Cross, Brendan; Marvel, Robert E; Haglund, Richard F; Abate, Yohannes


    The appearance of stripe phases is a characteristic signature of strongly correlated quantum materials, and its origin in phase-changing materials has only recently been recognized as the result of the delicate balance between atomic and mesoscopic materials properties. A vanadium dioxide (VO2) single crystal is one such strongly correlated material with stripe phases. Infrared nano-imaging on low-aspect-ratio, single-crystal VO2 microbeams decorated with resonant plasmonic nanoantennas reveals a novel herringbone pattern of coexisting metallic and insulating domains intercepted and altered by ferroelastic domains, unlike previous reports on high-aspect-ratio VO2 crystals where the coexisting metal/insulator domains appear as alternating stripe phases perpendicular to the growth axis. The metallic domains nucleate below the crystal surface and grow towards the surface with increasing temperature as suggested by the near-field plasmonic response of the gold nanorod antennas.

  5. Single-crystal charge transfer interfaces for efficient photonic devices (Conference Presentation) (United States)

    Alves, Helena; Pinto, Rui M.; Maçôas, Ermelinda M. S.; Baleizão, Carlos; Santos, Isabel C.


    Organic semiconductors have unique optical, mechanical and electronic properties that can be combined with customized chemical functionality. In the crystalline form, determinant features for electronic applications such as molecular purity, the charge mobility or the exciton diffusion length, reveal a superior performance when compared with materials in a more disordered form. Combining crystals of two different conjugated materials as even enable a new 2D electronic system. However, the use of organic single crystals in devices is still limited to a few applications, such as field-effect transistors. In 2013, we presented the first system composed of single-crystal charge transfer interfaces presenting photoconductivity behaviour. The system composed of rubrene and TCNQ has a responsivity reaching 1 A/W, corresponding to an external quantum efficiency of nearly 100%. A similar approach, with a hybrid structure of a PCBM film and rubrene single crystal also presents high responsivity and the possibility to extract excitons generated in acceptor materials. This strategy led to an extended action towards the near IR. By adequate material design and structural organisation of perylediimides, we demonstrate that is possible to improve exciton diffusion efficiency. More recently, we have successfully used the concept of charge transfer interfaces in phototransistors. These results open the possibility of using organic single-crystal interfaces in photonic applications.

  6. Crystallization of organically templated phosphomolybdate cluster ...

    Indian Academy of Sciences (India)

    tion polymers, etc.) for a crystal obtained from a set of reacting molecules.12 Formation of a crystalline sub- stance should not be represented by a simple equation as crystallization is a supramolecular reaction.13 We could employ retrosynthesis,14 the crystal engineering tool to postulate the possible ways in which tectons.

  7. Bridgman growth and scintillation properties of calcium tungstate single crystal (United States)

    Wang, Zhenhai; Jiang, Linwen; Chen, Yaping; Chen, Peng; Chen, Hongbing; Mao, Rihua


    CaWO4 single crystal with large size was grown by Bridgman method. The results of transmission spectra show that the transmittance of CaWO4 crystal reaches 79-85% in 320-800 nm wavelength range. The refraction index is near 1.80 in visible and infrared region. CaWO4 crystal shows a broad emission band centered at 424 nm under X-ray excitation and centered at 416 nm under ultraviolet (λex = 280 nm) excitation. The decay kinetics of CaWO4 single crystal shows double-exponential decay with fast decay constant τ1 = 5.4 μs and slow decay constant τ2 = 177.1 μs. The energy resolution of CaWO4 crystal was found to be 31.6% in the net peak of 545.9 channel. Meanwhile, the absolute output is at the lever of 19,000 ± 1000 photons/MeV. The results indicate the scintillator of CaWO4 single crystal has great potential in the applications of high-energy physics and nuclear physics due to its high light output and great energy resolution.

  8. A Simple Inexpensive Bridgman-Stockbarger Crystal Growth System for Organic Materials (United States)

    Choi, J.; Aggarwal, M. D.; Wang, W. S.; Metzl, R.; Bhat, K.; Penn, Benjamin G.; Frazier, Donald O.


    Direct observation of solid-liquid interface is important for the directional solidification to determine the desired interface shape by controlling the growth parameters. To grow good quality single crystals of novel organic nonlinear optical materials, a simple inexpensive Bridgman-Stockbarger (BS) crystal growth system has been designed and fabricated. Two immiscible liquids have been utilized to create two zones for this crystal growth system. Bulk single crystals of benzil derivative and n-salicylidene-aniline have been successfully grown in this system. The optimum lowering rate has been found to be 0.1 mm/h for the flat interface. Results on the crystal growth and other parameters of the grown crystals are presented.

  9. Mechanical properties of hydroxyapatite single crystals from nanoindentation data (United States)

    Zamiri, A.; De, S.


    In this paper we compute elasto-plastic properties of hydroxyapatite single crystals from nanindentation data using a two-step algorithm. In the first step the yield stress is obtained using hardness and Young’s modulus data, followed by the computation of the flow parameters. The computational approach is first validated with data from existing literature. It is observed that hydroxyapatite single crystals exhibit anisotropic mechanical response with a lower yield stress along the [1010] crystallographic direction compared to the [0001] direction. Both work hardening rate and work hardening exponent are found to be higher for indentation along the [0001] crystallographic direction. The stress-strain curves extracted here could be used for developing constitutive models for hydroxyapatite single crystals. PMID:21262492

  10. The Load Capability of Piezoelectric Single Crystal Actuators (United States)

    Xu, Tian-Bing; Su, Ji; Jiang, Xiaoning; Rehrig, Paul W.; Hackenberger, Wesley S.


    Piezoelectric lead magnesium niobate-lead titanate (PMN-PT) single crystal is one of the most promising materials for electromechanical device applications due to its high electrical field induced strain and high electromechanical coupling factor. PMN-PT single crystal-based multilayer stack actuators and multilayer stack-based flextensional actuators have exhibited high stroke and high displacement-voltage ratios. The actuation capabilities of these two actuators were evaluated using a newly developed method based upon a laser vibrometer system under various loading conditions. The measured displacements as a function of mechanical loads at different driving voltages indicate that the displacement response of the actuators is approximately constant under broad ranges of mechanical load. The load capabilities of these PMN-PT single crystal-based actuators and the advantages of the capability for applications will be discussed.

  11. Superfast domain walls in KTP single crystals (United States)

    Shur, V. Ya.; Esin, A. A.; Alam, M. A.; Akhmatkhanov, A. R.


    Potassium titanyl phosphate KTiOPO4 (KTP) crystals with periodical ferroelectric domain structures are one of the most promising materials for nonlinear optics, in which the main types of nonlinear optical interactions have been demonstrated. Despite the crucial importance of the in situ visualization of domain structure kinetics for creation of high quality periodical domain gratings, there are only a few works concerning KTP. We present the results of in situ visualization of domain kinetics in KTP with the time resolution down to 12.5 μs and simultaneous recording of the switching current data. The wide range of wall velocities with two orders of magnitude difference was observed for switching in a uniform electric field. The kinetic maps allowed analyzing the spatial distribution of wall motion velocities and classifying the walls by velocity ranges. The distinguished slow, fast, and superfast types of domain walls differed by their orientation. It was shown that the fast and slow domain walls provided the smooth input to the switching current, whereas the short-lived superfast walls resulted in short current peaks. The mobility and the threshold fields for all types of domain walls were estimated. The revealed increase in the wall velocity with deviation from low-index crystallographic planes for slow and fast walls was considered in terms of determined step generation and anisotropic kink motion. The obtained results are important for further development of domain engineering in KTP required for creation of high power, reliable, and effective coherent light sources.

  12. Crystal growth and properties of novel organic nonlinear optical crystals of 4-Nitrophenol urea

    Energy Technology Data Exchange (ETDEWEB)

    Mohan, M. Krishna, E-mail:; Ponnusamy, S.; Muthamizhchelvan, C.


    Single crystals of 4-Nitrophenol urea have been grown from water using slow evaporation technique at constant temperature, with the vision to improve the properties of the crystals. The unit cell parameters of the grown crystals were determined by single crystal and powder X-Ray diffraction. FTIR studies reveals the presence of different vibrational bands. The Optical studies confirmed that the crystal is transparent up to 360 nm .TGA and DSC studies were carried out to understand the thermal behavior of crystals. The SHG studies show the suitability of the crystals for NLO applications. The etching studies were carried out to study the behavior of the crystals under different conditions.These studies reveal that the crystals of 4-Nitrophenol urea are suitable for device applications. - Highlights: • 4-Nitrophenol urea crystals of dimensions 14 mm × 1 mm were grown. • UV–Visible studies indicate the crystal is transparent in the region of 370–800 nm. • Thermal studies show the crystal starts decomposing at 170 °C. • SHG studies indicate that the crystals have NLO efficiency 3.5 times that of KDP.

  13. Synthesis, growth, structure determination and optical properties of chalcone derivative single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Karthi, S., E-mail:; Girija, E. K., E-mail: [Department of Physics, Periyar University, Salem - 636011 (India)


    Acquiring large nonlinear optical (NLO) efficient organic material is essential for the development of optoelectronics and photonic devices. Chalcone is the donor - Π - acceptor - Π - donor (D-Π-A-Π-D) type conjugated molecule with appreciable hyperpolarizability of potential interest in NLO applications. The addition of vinyl and electron donor groups in the chalcone molecule may enhance the second harmonic generation (SHG) efficiency. Here we report the synthesis, crystal growth and characterization of a chalcone derivative 1-(4-methylphenyl)-5-(4-methoxyphenyl)-penta-2,4-dien-1-one (MPMPP). The MPMPP crystal was grown by slow evaporation solution growth technique from acetone. The grown crystal structure was studied by single crystal X-ray diffraction. The SHG efficiency of the grown crystal was determined by Kurtz and Perry method.

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

    Directory of Open Access Journals (Sweden)

    Amanda García-García


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

  15. Scintillation properties of solution-grown trans-stilbene single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Zaitseva, Natalia, E-mail: [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, CA 94551 (United States); Glenn, Andrew; Carman, Leslie; Paul Martinez, H.; Hatarik, Robert [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, CA 94551 (United States); Klapper, Helmut [Institut für Kristallographie, Jägerstraße 17-19, D-52066 Aachen (Germany); Payne, Stephen [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, CA 94551 (United States)


    The scintillation properties of trans-stilbene crystals grown for the first time by application of the solution growth technique to the scale of 10 cm are reported. Measurements of the scintillation light output, pulse shape discrimination, and neutron detection efficiency were made with sets of crystals cut as 50 cm diameter cylinders of different lengths from 0.3 to 10 cm. Comparison to liquid scintillators and traditional melt-grown stilbene showed that at increasing sizes new solution-grown crystals exhibit better scintillation performance that makes them promising for use in large scale neutron detectors. Results are discussed in relation to structural imperfections attributed to different methods of growth. - Highlights: • 10-cm-scale trans-stilbene single crystals grown from organic solutions. • Crystals have high optical quality required for fast neutron detection. • Scintillation performance superior to liquids and melt-grown stilbene demonstrated.

  16. Crystal growth of an organic non-linear optical material from the vapour phase

    CERN Document Server

    Hou, W


    Due to the potential applications of organic non-linear optical materials in the areas of optical processing and communication, the investigation of the crystal growth of new organic NLO materials has been an active field for the last 20 years. For such uses it is necessary to produce single crystals of high quality and perfection, free of strain and defects. When crystals are grown from the solution and the melt, solvent and the decomposition component in the melt can introduce impurities and imperfection to the as-grown crystals. For crystals grown from vapour phase, in the absence of the solvent, this cannot occur and the method promises to yield single crystals of higher quality. Despite this attraction, little attention has been paid to the vapour phase growth of organic NLO crystals. It was with this in mind that the following investigation was carried out. Using Methyl p-hydroxybenzoate (p-MHB), a potential organic NLO material, a comparison investigation was made of its crystal growth from both the va...

  17. Twisted Single Crystals in Nonbiological Main-Chain Chiral Polyesters (United States)

    Cheng, S.; Li, Y.; Bai, F.; Harris, F.; Yan, D.; Chen, L.


    A series of chiral Poly(R)-(-)-4-(w)-[2-(p-hydroxy-o-nitrophenyloxy)-1-propyloxy]-1- nonyloxy-4-biphenyl carboxylic acid has been synthesized. Singe crystals were grown from the melt. Two very distinct morphological habits can be observed: an elongated flat-on morphology and a helical twist along its long axis. The twisted single crystals show a unique left-handed helical habit with typical pitch length of about 1-2 micrometers. It is expected that this twisted morphology results from a slight deviation of a 21 symmetry in chain packing. In the past, helical morphologies were report in two classes of materials: liquid crystals from the melt and biopolymers in solutions. Liquid crystals only show this kind of morphology when their order is lower than smectic F or I phase, while biopolmers, such as bombyx mori silk fibroin, exhibit similar morphology from solutions due to the existence of the twisted b-sheets. In this case, however, the twisted morphology was identified as crystals via ED and WAXD experiments. Furthermore, neither H-bonding nor b-sheet structure exists in the chemical structure. It is believed that our observation in the twisted single crystals from the melt may represent a class of phases which has not been fully classified.

  18. Methylammonium Iodide Effect on the Supersaturation and Interfacial Energy of the Crystallization of Methylammonium Lead Triiodide Single Crystals. (United States)

    Li, Bichen; Isikgor, Furkan; Coskun, Hikmet; Ouyang, Jianyong


    It is very important to study the crystallization of hybrid organic-inorganic perovskites because their thin films are usually prepared from solution. But the investigation on the growth of perovskite films is limited by their polycrystallinity. In this work, methylammonium lead triiodide single crystals grown from solutions with different methylammonium iodide (MAI):lead iodide (PbI2) ratios were investigated. We observed a V-shaped dependence of the crystallization onset temperature on the MAI:PbI2 ratio. This is attributed to the MAI effects on the supersaturation of precursors and the interfacial energy of the crystal growth. At low MAI:PbI2 ratio (<1.7), more MAI leads to the supersaturation of the precursors at lower temperature. At high MAI:PbI2 ratio, the crystal growing plans change from (100)-plane dominated to (001)-plane dominated. The latter have higher interfacial energy than the former, leading to higher crystallization onset temperature. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Direct crystal plasticity model: Application to the investigation of single crystal fragmentation under uniaxial loading (United States)

    Yants, A. Yu.; Trusov, P. V.; Teplyakova, L. A.


    The mathematical formulation and the results of solving a boundary value problem of uniaxial loading of single-crystal aluminum samples are reported. A first-type direct model was used for the solution of the boundary value problem. The material response is determined within the crystal elastoviscoplasticity theory. The fragmentation of the initially homogeneous sample into zones with different internal structure evolution is shown.

  20. Crystallization and properties of CrSi2 single crystals grown from a tin solution-melt (United States)

    Solomkin, F. Yu.; Zaitsev, V. K.; Kartenko, N. F.; Kolosova, A. S.; Orekhov, A. S.; Samunin, A. Yu.; Isachenko, G. N.


    Using the solution-melt method combined with the Bridgman method, CrSi2 single-crystal needles and single-crystal tubes are grown at a temperature lower than their melting (crystallization) temperature. Microcrystals thus grown feature an anomalously high thermal emf. The growth of CrSi2 single-crystal tubes is an important step forward in the production of various devices based on high-temperature thermoelectric materials.

  1. Monitoring Lidocaine Single-Crystal Dissolution by Ultraviolet Imaging

    DEFF Research Database (Denmark)

    Ostergaard, Jesper; Ye, Fengbin; Rantanen, Jukka


    ) imaging for conducting single‐crystal dissolution studies was performed. Using lidocaine as a model compound, the aim was to develop a setup capable of monitoring and quantifying the dissolution of lidocaine into a phosphate buffer, pH 7.4, under stagnant conditions. A single crystal of lidocaine...... was placed in the quartz dissolution cell and UV imaging was performed at 254 nm. Spatially and temporally resolved mapping of lidocaine concentration during the dissolution process was achieved from the recorded images. UV imaging facilitated the monitoring of lidocaine concentrations in the dissolution...... media adjacent to the single crystals. The concentration maps revealed the effects of natural convection due to density gradients on the dissolution process of lidocaine. UV imaging has great potential for in vitro drug dissolution testing...

  2. Design, syntheses, characterization and single crystal X-ray ...

    Indian Academy of Sciences (India)


    Design, syntheses, characterization and single crystal X-ray diffraction studies of multicomponent Zn-tetraphenylpor- phyrins: Novel building blocks for microporous crystalline solids. ATINDRA D SHUKLA 1, PARESH C DAVE 1, ERINGATHODI. SURESH 1, GOPAL PATHAK 2, AMITAVA DAS 1 and. PARTHASARATHI ...

  3. Microhardness studies on nonlinear optical L-alanine single crystals

    Indian Academy of Sciences (India)

    alanine single crystals by slow evaporation technique over a load range of 10–50 g on selected broad (2 0 3) plane. Vickers (Hv) and Knoop (Hk) microhardness for the above loads were found to be in the range of 60–71 kg/mm2 and 35–47 ...

  4. Some Debye temperatures from single-crystal elastic constant data (United States)

    Robie, R.A.; Edwards, J.L.


    The mean velocity of sound has been calculated for 14 crystalline solids by using the best recent values of their single-crystal elastic stiffness constants. These mean sound velocities have been used to obtain the elastic Debye temperatures ??De for these materials. Models of the three wave velocity surfaces for calcite are illustrated. ?? 1966 The American Institute of Physics.

  5. Theoretical study of diaquamalonatozinc(II) single crystal for ...

    Indian Academy of Sciences (India)



    Nov 28, 2017 ... and rare earth ion complexes doped in the host contain- ... Studies of the relaxation behaviour in complexes due to ZFS .... From the EPR experimental study of DAMZ single crystal with posi- tive sign of axial ZFS D and rhombic ZFS E, the dopant. Mn(II) is expected to exhibit compressed octahedron.

  6. Discrete dislocation plasticity modeling of short cracks in single crystals

    NARCIS (Netherlands)

    Deshpande, VS; Needleman, A; Van der Giessen, E


    The mode-I crack growth behavior of geometrically similar edge-cracked single crystal specimens of varying size subject to both monotonic and cyclic axial loading is analyzed using discrete dislocation dynamics. Plastic deformation is modeled through the motion of edge dislocations in an elastic

  7. Lattice location of helium in uranium dioxide single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Garrido, F.; Nowicki, L. E-mail:; Sattonnay, G.; Sauvage, T.; Thome, L


    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.

  8. Thermal behaviour of strontium tartrate single crystals grown in gel

    Indian Academy of Sciences (India)


    reflected petrological microscope. Hence the crystallinity is observed under a stereo binocular microscope (Carl. Zeiss) and confirmed as single crystal. In order to study the effect of dopants on the morpho- logy and growth of strontium tartrate (SrT), 10% (W/V) solution of lead nitrate was also mixed with the top solu- tion.

  9. Singly-resonant optical parametric oscillator based on KTA crystal

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics; Volume 64; Issue 1 ... Tunable mid-infra-red radiation by singly resonant optical parametric oscillation based on KTA crystal pumped by multi-axial Gaussian shape beam from Q-switched ... Laser Laboratory, Physics Department, Burdwan University, Burdwan 713 104, India ...

  10. On size-effects in single crystal wedge indentation

    DEFF Research Database (Denmark)

    Niordson, Christian Frithiof; Kysar, Jeffrey W.


    Wedge indentation in single crystals is studied numerically, with emphasis on size-effects on the micron scale. Under the assumption of a perfectly sharp wedge indenter, a linear relationship between indentation force and indentation depth would be predicted from conventional theories lacking con...

  11. A new technique for making spheres of single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Takahashi, Y. [Tsukuba Univ., Sakura, Ibaraki (Japan). Inst. of Applied Physics; Yamamoto, K. [Tsukuba Univ., Sakura, Ibaraki (Japan). Inst. of Applied Physics; Ohshima, K. [Tsukuba Univ., Sakura, Ibaraki (Japan). Inst. of Applied Physics; Yunkino, K. [National Inst. for Research in Inorganic Materials, Tsukuba, Ibaraki (Japan); Okamura, F.P. [National Inst. for Research in Inorganic Materials, Tsukuba, Ibaraki (Japan)


    A new technique for making spheres of single crystals is briefly described. It is confirmed that this method is very effective when used to prepare spherical specimens of LaB{sub 6}, a refractory material that is widely used as a thermo-radiated material. (orig.).

  12. Thiourea-doped ammonium dihydrogen phosphate: A single crystal ...

    Indian Academy of Sciences (India)

    A single crystal neutron diffraction investigation. A JAYARAMA1, M R SURESH KUMAR1, S M DHARMAPRAKASH1,. R CHITRA2,∗ and R R CHOUDHURY2. 1Department of Physics, Mangalore University, Mangalagangotri 574 199, India. 2Solid State Physics Division, Bhabha Atomic Research Centre, Trombay,. Mumbai ...

  13. Transverse Mode Multi-Resonant Single Crystal Transducer (United States)

    Snook, Kevin A. (Inventor); Liang, Yu (Inventor); Luo, Jun (Inventor); Hackenberger, Wesley S. (Inventor); Sahul, Raffi (Inventor)


    A transducer is disclosed that includes a multiply resonant composite, the composite having a resonator bar of a piezoelectric single crystal configured in a d(sub 32) transverse length-extensional resonance mode having a crystallographic orientation set such that the thickness axis is in the (110) family and resonance direction is the (001) family.

  14. Is the methanation reaction over Ru single crystals structure dependent?

    DEFF Research Database (Denmark)

    Vendelbo, Søren Bastholm; Johansson, Martin; Nielsen, Jane Hvolbæk


    The influence of monoatomic steps and defects on the methanation reaction over ruthenium has been investigated. The experiments are performed on a Ru(0 1 54) ruthenium single crystal, which contains one monoatomic step atom for each 27 terrace atoms. The methanation activity is measured at one bar...

  15. Single Crystal Relaxor Ferroelectrics by Seeded Polycrystal Conversion

    National Research Council Canada - National Science Library

    Harmer, Martin


    ...) to ferroelectric materials. Initial work at Lehigh established the feasibility of using the SPC process to grow single crystals of the relaxor-based ferroelectric PbMg(1 /3)Nb(2/3))O(3-) 5mol%PbTiO3 (PMN-3 5PT...

  16. Angular correlation of annihilation photons in ice single crystals

    DEFF Research Database (Denmark)

    Mogensen, O. E.; Kvajic, G.; Eldrup, Morten Mostgaard


    Linear-slit angular-correlation curves were obtained at - 148 °C for the [0001], [10¯10], and [11¯20] directions in single crystals of ice. Besides the narrow central peak, pronounced narrow side peaks were also observed. They occurred at angles θ=2πℏgz/mc, where gz is the projection of reciproca...

  17. Single Crystal Diamond RF-FET Uniformity Performance Analysis (United States)


    Single Crystal Diamond RF-FET Uniformity Performance Analysis Pankaj B Shah, James Weil, Glen Birdwell, and Tony Ivanov US Army Research...dopant, non- uniform hydrogenation and subsurface polish damage. Transient switching analysis along with capacitance / conductance based interface...hydrogenation and then AFM and Raman analysis were performed to investigate the chemical and structural quality of the surface. Then the polished

  18. Aluminum-rich mesoporous MFI - type zeolite single crystals

    DEFF Research Database (Denmark)

    Kustova, Marina; Kustov, Arkadii; Christensen, Christina Hviid


    Zeolitcs are crystalline materials, which are widely used as solid acid catalysts and supports in many industrial processes. Recently, mesoporous MFI-type zeolite single crystals were synthesized by use of carbon particles as a mesopore template and sodium aluminate as the aluminum Source...

  19. Growth experiment of organic metal crystal in low gravity (M-21) (United States)

    Anzai, Hiroyuki


    The purpose of this experiment is to grow large, high-quality single crystals of the organic metal (TMTTF-TCNQ) by the diffusion method without thermal fluctuation due to convection and gravitational sedimentation, and to evaluate the difference in properties between such crystals grown in low gravity and the ones obtained on Earth. The expected results may fix several physical properties of TMTTF-TCNQ, lead to the discovery of new phenomena, and enable us to analyze diffusion processes in a precise way. The result will contribute to the development of research on organic metals and, generally, on crystal growth.

  20. Ferromagnetism in Silicon Single Crystals with Positively Charged Vacancy Clusters (United States)

    Liu, Yu; Zhang, Xinghong; Yuan, Quan; Han, Jiecai; Zhou, Shengqiang; Song, Bo

    Defect-induced ferromagnetism provides an alternative for organic and semiconductor spintronics. Here, we investigated the magnetism in Silicon after neutron irradiation and try to correlate the observed magnetism to particular defects in Si. Commercially available p-type Si single crystal wafer is cut into pieces for performing neutron irradiations. The magnetic impurities are ruled out as they can not be detected by secondary ion mass spectroscopy. With positron annihilation lifetime spectroscopy, the positron trapping center corresponding to lifetime 375 ps is assigned to a kind of stable vacancy clusters of hexagonal rings (V6) and its concentration is enhanced by increasing neutron doses. After irradiation, the samples still show strong diamagnetism. The weak ferromagnetic signal in Si after irradiation enhances and then weakens with increasing irradiation doses. The saturation magnetization at room temperature is almost the same as that at 5 K. The X-ray magnetic circular dichroism further provides the direct evidence that Silicon is the origin of this ferromagnetism. Using first-principles calculations, it is found that positively charged V6 brings the spin polarization and the defects have coupling with each other. The work is financially supported by the Helmholtz Postdoc Programme (Initiative and Networking Fund, PD-146).

  1. Mechanism of the emergence of the photo-EMF upon silicon liquid crystal-single crystal contact (United States)

    Budagov, K. M.; Guseinov, A. G.; Pashaev, B. G.


    The effect light has on a silicon liquid crystal-single crystal contact at different temperatures of the surface doping of silicon, and when BaTiO3 nanoparticles are added to the composition of a liquid crystal, is studied. The mechanism of the emergence of the photo-EMF in the liquid crystal-silicon structure is explained.

  2. Understanding the Cubic Phase Stabilization and Crystallization Kinetics in Mixed Cations and Halides Perovskite Single Crystals. (United States)

    Xie, Li-Qiang; Chen, Liang; Nan, Zi-Ang; Lin, Hai-Xin; Wang, Tan; Zhan, Dong-Ping; Yan, Jia-Wei; Mao, Bing-Wei; Tian, Zhong-Qun


    The spontaneous α-to-δ phase transition of the formamidinium-based (FA) lead halide perovskite hinders its large scale application in solar cells. Though this phase transition can be inhibited by alloying with methylammonium-based (MA) perovskite, the underlying mechanism is largely unexplored. In this Communication, we grow high-quality mixed cations and halides perovskite single crystals (FAPbI3)1-x(MAPbBr3)x to understand the principles for maintaining pure perovskite phase, which is essential to device optimization. We demonstrate that the best composition for a perfect α-phase perovskite without segregation is x = 0.1-0.15, and such a mixed perovskite exhibits carrier lifetime as long as 11.0 μs, which is over 20 times of that of FAPbI3 single crystal. Powder XRD, single crystal XRD and FT-IR results reveal that the incorporation of MA+ is critical for tuning the effective Goldschmidt tolerance factor toward the ideal value of 1 and lowering the Gibbs free energy via unit cell contraction and cation disorder. Moreover, we find that Br incorporation can effectively control the perovskite crystallization kinetics and reduce defect density to acquire high-quality single crystals with significant inhibition of δ-phase. These findings benefit the understanding of α-phase stabilization behavior, and have led to fabrication of perovskite solar cells with highest efficiency of 19.9% via solvent management.

  3. Controlled Growth of Organic Semiconductor Films Using Liquid Crystal Solvents (United States)

    Bufkin, Kevin; Ohlson, Brooks; Hillman, Ben; Johnson, Brad; Patrick, David


    Interest in using organic semiconductors in applications such as large area displays, photovoltaic devices, and RFID tags stems in part from their prospects for enabling significantly reduced manufacturing costs compared to traditional inorganic semiconductors. However many of the best performing prototype devices produced so far have involved expensive or time-consuming fabrication methods, such as the use of single crystals or thin films deposited under high vacuum conditions. We present a new approach for growing low molecular weight organic crystalline films at ambient conditions based on a vapor-liquid-solid growth mechanism using thermotropic nematic liquid crystal (LC) solvents. Tetracene is deposited via atmospheric-pressure sublimation onto substrates coated by a LC layer oriented using rubbed polyimide, producing films that are highly crystalline, with large grain sizes, and possessing macroscopic uniaxial orientation. This poster will describe the growth mechanism, discuss the effects of processing conditions such as LC layer thickness, substrate temperature and flux rate, and compare the results to a model of deposition-diffusion aggregation accounting for the finite thickness of the solvent layer.

  4. Role of crystal orientation on chemical mechanical polishing of single crystal copper

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Aibin, E-mail:; He, Dayong; Luo, Wencheng; Liu, Yangyang


    Highlights: • The role of crystal orientation in cooper CMP by quasi-continuum was studied. • The atom displacement diagrams were obtained and analyzed. • The stress distribution diagrams and load-displacement curves were analyzed. • This research is helpful to revealing the material removal mechanism of CMP. - Abstract: The material removal mechanism of single crystal copper in chemical mechanical polishing (CMP) has not been intensively investigated. And the role of crystal orientation in CMP of single crystal cooper is not quite clear yet. Quasi-continuum method was adopted in this paper to simulate the process of nano-particles grinding on single crystal copper in CMP process. Three different crystal orientations, i.e. x[100]y[001], x[001]y[110] and x[–211]y[111], were chosen for analysis. The atom displacement diagrams, stress distribution diagrams and load-displacement curves were obtained. After analyzing the deformation mechanism, residual stress of the work piece material and cutting force, results showed that, the crystal orientation of work piece has great influence on the deformation characteristics and surface quality of work piece during polishing. In the A(001)[100] orientation, the residual stress distribution after polishing is deeper, and the stress is larger than that in the B(110)[001] and C(111)[–211] orientations. And the average tangential cutting force in the A(001)[100] orientation is much larger than those in the other two crystal orientation. This research is helpful to revealing the material removal mechanism of CMP process.

  5. Is the methanation reaction over Ru single crystals structure dependent? (United States)

    Vendelbo, Søren B; Johansson, Martin; Nielsen, Jane H; Chorkendorff, Ib


    The influence of monoatomic steps and defects on the methanation reaction over ruthenium has been investigated. The experiments are performed on a Ru(0 1 54) ruthenium single crystal, which contains one monoatomic step atom for each 27 terrace atoms. The methanation activity is measured at one bar of hydrogen and CO in a high pressure cell, which enables simultaneous measurements of the local reactivity of the well defined single crystal surface and the global reactivity of the entire crystal and its auxiliary support. By adding sulfur we observe that the measured activity from the well defined stepped front-side of the crystal is poisoned faster than the entire crystal containing more defects. We also observe that additional sputtering of the well-defined front-side increases the reactivity measured on the surface. Based on this, we conclude that the methanation reaction takes place on undercoordinated sites, such as steps and kinks, and that the methanation reaction is extremely structure dependent. Simulations of the flow, temperature, and product distributions in the high pressure cell are furthermore presented as supplementary information.

  6. Effect of zinc acetate addition on crystal growth, structural, optical, thermal properties of glycine single crystals

    Directory of Open Access Journals (Sweden)

    S. Anbu Chudar Azhagan


    Full Text Available In the present study, γ-glycine has been crystallized by using zinc acetate dihydrate as an additive for the first time by slow solvent evaporation method. The second harmonic conversion efficiency of γ-glycine crystal was determined using Kurtz and Perry powder technique and was found to be 3.66 times greater than that of standard inorganic material potassium dihydrogen phosphate (KDP. The analytical grade chemicals of glycine and zinc acetate dihydrate were taken in six different molar ratios: 1:0.2, 1:0.4, 1:0.6, 1:0.7, 1:0.8, and 1:0.9 respectively to find out the γ-polymorph of glycine. The lower molar concentration of zinc acetate yield only α-polymorph where as the higher molar concentration of zinc acetate inhibits the γ-polymorph of glycine which was confirmed by single crystal XRD and powder XRD studies. Inductively coupled plasma optical emission spectrometry (ICP-OES was carried out to quantify the concentration of zinc element in the grown glycine single crystals. The concentration of zinc element in the presence of grown γ-glycine single crystal is found to be 0.73 ppm. UV–Visible–NIR transmittance spectra were recorded for the samples to analyse the transparency in visible and near infrared region (NIR. The optical band gap Eg was estimated for γ-glycine single crystal using UV–Visible–NIR study. Functional groups present in the samples were identified by FTIR spectroscopic analysis. Differential scanning calorimetry technique was employed to determine the phase transition, thermal stability and melting point of the grown crystal.

  7. Concomitant crystallization for in situ encapsulation of organic materials

    NARCIS (Netherlands)

    Reus, M.A.; Hoetmer, G.; Heijden, A.E.D.M. van der; Horst, J.H. ter


    Concomitant crystallization leads to process intensification through the synergistic combination of the partial processes of particle formation and encapsulation within a single process step. Both cooling and electrospray crystallization in multi-component solutions were used to create (sub-)micron

  8. Subsurface Stress Fields In Single Crystal (Anisotropic) Contacts (United States)

    Arakere, Nagaraj K.; Knudsen, Erik C.; Duke, Greg; Battista, Gilda; Swanson, Greg


    Single crystal superalloy turbine blades used in high pressure turbomachinery are subject to conditions of high temperature, triaxial steady and alternating stresses, fretting stresses in the blade attachment and damper contact locations, and exposure to high-pressure hydrogen. The blades are also subjected to extreme variations in temperature during start-up and shutdown transients. The most prevalent HCF failure modes observed in these blades during operation include crystallographic crack initiation/propagation on octahedral planes, and noncrystallographic initiation with crystallographic growth. Numerous cases of crack initiation and crack propagation at the blade leading edge tip, blade attachment regions, and damper contact locations have been documented. Understanding crack initiation/propagation under mixed-mode loading conditions is critical for establishing a systematic procedure for evaluating HCF life of single crystal turbine blades. This paper presents analytical and numerical techniques for evaluating two and three dimensional subsurface stress fields in anisotropic contacts. The subsurface stress results are required for evaluating contact fatigue life at damper contacts and dovetail attachment regions in single crystal nickel-base superalloy turbine blades. An analytical procedure is , presented, for evaluating the subsurface stresses in the elastic half-space, using a complex potential method outlined by Lekhnitskii. Numerical results are presented for cylindrical and spherical anisotropic contacts, using finite element analysis. Effects of crystal orientation on stress response and fatigue life are examined.

  9. Coupling of single quantum dots to a photonic crystal waveguide

    DEFF Research Database (Denmark)

    Lund-Hansen, Toke; Stobbe, Søren; Julsgaard, Brian

    is coupled efficiently to a single enhanced mode. One popular approach has been to couple single quantum dots to a nanocavity but a limiting factor in this configuration is that in order to apply the photon it should subsequently be coupled out of the cavity, reducing the overall efficiency significantly....... An alternative approach is to couple the quantum dot directly to the propagating mode of a photonic waveguide. We demonstrate the coupling of single quantum dots to a photonic crystal waveguide using time-resolved spontaneous emission measurements. A pronounced effect is seen in the decay rates of dots coupled......Efficient and high quality single-photon sources is a key element in quantum information processing using photons. As a consequence, much current research is focused on realizing all-solid-state nanophotonic single-photon sources. Single photons can be harvested with high efficiency if the emitter...

  10. Formation of pores in Ge single crystal by laser radiation

    Energy Technology Data Exchange (ETDEWEB)

    Medvid' , A. [Laboratory of Semiconductor Physics, Riga Technical University, LV-1048, 14 Azenes Street, Riga (Latvia)]. E-mail:; Mychko, A. [Laboratory of Semiconductor Physics, Riga Technical University, LV-1048, 14 Azenes Street, Riga (Latvia); Krivich, A. [Laboratory of Semiconductor Physics, Riga Technical University, LV-1048, 14 Azenes Street, Riga (Latvia); Onufrijevs, P. [Laboratory of Semiconductor Physics, Riga Technical University, LV-1048, 14 Azenes Street, Riga (Latvia)


    Formation of a porous structure on the surface of Ge single crystals by pulsed YAG:Nd laser irradiation at the intensity of {approx}25 MW/cm{sup 2} is reported. An increase of surface recombination velocity on the irradiated surface by a factor of 100 is observed and explained by increase of the geometric area of the surface due to formation of pores. The latter is attributed to inhomogeneous pressure of a pulsed laser beam on the melting irradiated surface of the crystal.

  11. Subsurface Stress Fields in FCC Single Crystal Anisotropic Contacts (United States)

    Arakere, Nagaraj K.; Knudsen, Erik; Swanson, Gregory R.; Duke, Gregory; Ham-Battista, Gilda


    Single crystal superalloy turbine blades used in high pressure turbomachinery are subject to conditions of high temperature, triaxial steady and alternating stresses, fretting stresses in the blade attachment and damper contact locations, and exposure to high-pressure hydrogen. The blades are also subjected to extreme variations in temperature during start-up and shutdown transients. The most prevalent high cycle fatigue (HCF) failure modes observed in these blades during operation include crystallographic crack initiation/propagation on octahedral planes, and non-crystallographic initiation with crystallographic growth. Numerous cases of crack initiation and crack propagation at the blade leading edge tip, blade attachment regions, and damper contact locations have been documented. Understanding crack initiation/propagation under mixed-mode loading conditions is critical for establishing a systematic procedure for evaluating HCF life of single crystal turbine blades. This paper presents analytical and numerical techniques for evaluating two and three dimensional subsurface stress fields in anisotropic contacts. The subsurface stress results are required for evaluating contact fatigue life at damper contacts and dovetail attachment regions in single crystal nickel-base superalloy turbine blades. An analytical procedure is presented for evaluating the subsurface stresses in the elastic half-space, based on the adaptation of a stress function method outlined by Lekhnitskii. Numerical results are presented for cylindrical and spherical anisotropic contacts, using finite element analysis (FEA). Effects of crystal orientation on stress response and fatigue life are examined. Obtaining accurate subsurface stress results for anisotropic single crystal contact problems require extremely refined three-dimensional (3-D) finite element grids, especially in the edge of contact region. Obtaining resolved shear stresses (RSS) on the principal slip planes also involves

  12. The crystallization and optical properties of LiNbO3 single crystals

    Directory of Open Access Journals (Sweden)



    Full Text Available LiNbO3 single crystals were grown by the Czochralski technique in an air atmosphere. The critical crystal diameter Dc = 1.5 cm and the critical rate of rotation wc = 35 rpm were calculated from the dynamic of fluids equations for buoyancy-driven and forced convections under which the shape of the melt/crystal interface changed. The domain inversion was carried out at 1473 K using a 10 min 3.75 V/cm electric field. The obtained crystals were cut, polished and etched to determine the presence of dislocations and single domain structures. The lattice parameters a = 0.51494 nm, c = 1.38620 nm and V = 0.3186 nm3 were determined by X-ray powder diffraction. The optical properties were studied by infrared spectroscopy in the wave number range 20 - 5000 cm-1. With decreasing temperature, an atypical behaviour of the phonon modes, due to the ferroelectric properties of LiNbO3 single crystal, could be seen. The optical constants were calculated by Kramers-Kronig analysis and the value of the critical temperature was estimated. The obtained results are discussed and compared with published data.

  13. Synthesis, crystal structure and EPR spectra of tetraaquabis(methylisonicotinate) copper(II) disaccharinate single crystal (United States)

    Çelik, Yunus; Bozkurt, Esat; Uçar, İbrahim; Karabulut, Bünyamin


    The crystal structure of the [Cu(mein)2(H2O)4]·(sac)2 complex (mein: methylisonicotinate, sac: saccharine) was investigated by single crystal X-ray diffraction technique. The vibrational spectrum was also discussed in relation with the other compounds containing methylisonicotinate and saccharinate complexes. The EPR spectra of [Cu(mein)2(H2O)4]·(sac)2 single crystal have been studied in the temperature range between 113 and 300 K in three mutually perpendicular planes and exhibit two sets of four hyperfine lines of Cu2+ ion. The ground state wave function of the Cu2+ ion is an admixture of dx2-y2 and dz2 states.

  14. X-ray scattering from surfaces of organic crystals

    DEFF Research Database (Denmark)

    Gidalevitz, D.; Feidenhans'l, R.; Smilgies, D.-M.


    X-ray scattering experiments have been performed on the surfaces of organic crystals. The (010) cleavage planes of beta-alanine and alpha-glycine were investigated, and both specular and off-specular crystal truncation rods were measured. This allowed a determination of the molecular layering...

  15. Membrane protein structures without crystals, by single particle electron cryomicroscopy. (United States)

    Vinothkumar, Kutti R


    It is an exciting period in membrane protein structural biology with a number of medically important protein structures determined at a rapid pace. However, two major hurdles still remain in the structural biology of membrane proteins. One is the inability to obtain large amounts of protein for crystallization and the other is the failure to get well-diffracting crystals. With single particle electron cryomicroscopy, both these problems can be overcome and high-resolution structures of membrane proteins and other labile protein complexes can be obtained with very little protein and without the need for crystals. In this review, I highlight recent advances in electron microscopy, detectors and software, which have allowed determination of medium to high-resolution structures of membrane proteins and complexes that have been difficult to study by other structural biological techniques. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

  16. Twinning structures in near-stoichiometric lithium niobate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Yao, Shuhua; Chen, Yanfeng [Nanjing Univ. (China). Dept. of Materials Science and Engineering; Hu, Xiaobo; Yan, Tan; Liu, Hong; Wang, Jiyang [Shandong Univ., Jinan (China). State Key Lab. of Crystal Materials; Qin, Xiaoyong [Deqing Huaying Electronics Co. (China)


    A near-stoichiometric lithium niobate single crystal has been grown by the Czochralski method in a hanging double crucible with a continuous powder supply system. Twins were found at one of the three characteristic growth ridges of the as-grown crystal. The twin structure was observed and analyzed by transmission synchrotron topography. The image shifts {delta}X and {delta}Y in the transmission synchrotron topograph were calculated for the 3 anti 2 anti 12 and 0 anti 222 reflections based on results from high-resolution X-ray diffractometry. It is confirmed that one of the {l_brace}01 anti 1 anti 2{r_brace}{sub m} planes is the composition face of the twin and matrix crystals. The formation mechanism of these twins is discussed. (orig.)

  17. Size effects in single crystal thin films : nonlocal crystal plasticity simulations

    NARCIS (Netherlands)

    Yefimov, S.; van der Giessen, E.


    Stress relaxation in single crystalline thin films on substrates subjected to thermal loading is studied using a recently proposed nonlocal continuum crystal plasticity theory. The theory is founded on a statistical-mechanics description of the collective behaviour of dislocations in multiple slip,

  18. Crystal growth, structural, optical, thermal and dielectric properties of lithium hydrogen oxalate monohydrate single crystal (United States)

    Chandran, Senthilkumar; Paulraj, Rajesh; Ramasamy, P.


    The vibrational groups of the lithium hydrogen oxalate monohydrate have been investigated by FTIR and FT- Raman analyses. It has low absorbance in the UV-Vis-NIR region. The laser damage threshold study confirms that the material withstands upto 30 mJ with time of 7 s, after that circular dot damage is seen on the surface. The dark region of the surface damage spot occurs due to the thermal effects. The material is thermally stable upto 93 °C and there is no weight loss below this temperature. The dielectric studies were carried out at the frequency regions of 1 kHz-1 MHz and different temperatures from 40 °C to 80 °C. Semi-organic non-linear optical (NLO) single crystal lithium hydrogen oxalate monohydrate has been grown by slow evaporation solution growth technique. The Hirshfeld surface analysis was performed to understand the different intermolecular interactions in the title compound. The fingerprint plots contain the highest portion of H⋯O/O⋯H (48.3%) interactions.

  19. Twisted intra-molecular charge transfer investigations of semiorganic triglycine phosphate single crystal for non linear optical applications (United States)

    Meera, M. R.; Joselin Beaula, T.; Rayar, S. L.; Bena Jothy, V.


    NLO materials are gaining importance in technologies such as optical communication, optical computing and dynamic image processing. Many NLO crystals grown by mixing amino acids with various organic and inorganic acids have been reported in the literature. Hence, glycine mixed semi-organic material will be of special interest as a fundamental building block to develop many complex crystals with improved NLO properties. A semi organic Single crystal of Triglycine Phosphate (TGP) which was grown and spectral analysis have been using FTIR and Raman spectral analysis. Natural Bond Orbital Analysis and the atomic natural charges are also predicted. HOMO LUMO energy gap value suggests the possibility of charge transfer within the molecule.

  20. Bulk crystal growth and nonlinear optical characterization of semiorganic single crystal: Cadmium (II) dibromide L - Proline monohydrate

    Energy Technology Data Exchange (ETDEWEB)

    Balakrishnan, T., E-mail: [Crystal Growth Laboratory, PG & Research Department of Physics, Periyar EVR College (Autonomous), Tiruchirappalli, 620 023, Tamil Nadu (India); Sathiskumar, S. [Crystal Growth Laboratory, PG & Research Department of Physics, Periyar EVR College (Autonomous), Tiruchirappalli, 620 023, Tamil Nadu (India); Ramamurthi, K. [Crystal Growth and Thin Film Laboratory, Department of Physics and Nanotechnology, SRM University, Kattankulathur, 603 203, Kancheepuram, Tamil Nadu (India); Thamotharan, S. [Department of Bioinformatics, School of Chemical and Biotechnology, SASTRA University, Thanjavur, 613 401 (India)


    Single crystal of a novel metal organic nonlinear optical (NLO) cadmium (II) dibromide L - proline monohydrate (CBLPM) of size 7 × 7 × 5 mm{sup 3} was grown from slow evaporation technique. Single crystal X – ray diffraction analysis reveals that the crystal belongs to orthorhombic system with lattice parameters a = 10.1891 (8) Å, b = 13.4961 (11) Å, c = 7.4491 (5) Å and space group P2{sub 1}2{sub 1}2{sub 1}. The powder X – ray diffraction pattern of CBLPM was recorded and the X – ray diffraction peaks were indexed. The various functional groups of CBLPM were identified by the FT – IR and FT – Raman spectral analyses. The optical transmittance window and lower cut off wavelength of CBLPM were identified from UV – Vis – NIR studies. The mechanical strength of the grown crystal was estimated using Vickers microhardness test. Dielectric constant and dielectric loss measurements were carried out at different temperatures in the frequency range of 50 Hz - 2 MHz. The photoluminescence spectrum was recorded in the wavelength range 200–400 nm and the estimated optical band gap was ∼4.1 eV. Etching studies were carried out for different etching time. Thermal stability of CBLPM was determined using thermogravimetric analysis. Laser induced damage threshold study was carried out for the grown crystal using Nd:YAG laser. Size dependent second harmonic generation efficiency of the grown crystal was determined by Kurtz and Perry powder technique with different particle size using Nd:YAG laser with wavelength 1064 nm. Second harmonic generation efficiency of the powdered CBLPM crystal was ∼2.3 times that of potassium dihydrogen orthophosphate. - Highlights: • CBLPM crystal belongs to orthorhombic crystal system with space group P2{sub 1}2{sub 1}2{sub 1.} • Transmittance of CBLPM is ∼80% in the 650–1100 nm range. • Powder SHG efficiency of CBLPM increases with increase in particle size. • SHG efficiency of 0.57 μm size powdered CBLPM is ∼2

  1. Determining thermodynamic properties of molecular interactions from single crystal studies. (United States)

    Vander Zanden, Crystal M; Carter, Megan; Ho, Pui Shing


    The concept of single crystals of macromolecules as thermodynamic systems is not a common one. However, it should be possible to derive thermodynamic properties from single crystal structures, if the process of crystallization follows thermodynamic rules. We review here an example of how the stabilizing potentials of molecular interactions can be measured from studying the properties of DNA crystals. In this example, we describe an assay based on the four-stranded DNA junction to determine the stabilizing potentials of halogen bonds, a class of electrostatic interactions, analogous to hydrogen bonds, that are becoming increasing recognized as important for conferring specificity in protein-ligand complexes. The system demonstrates how crystallographic studies, when coupled with calorimetric methods, allow the geometries at the atomic level to be directly correlated with the stabilizing energies of molecular interactions. The approach can be generally applied to study the effects of DNA sequence and modifications of the thermodynamic stability of the Holliday junction and, by inference, on recombination and recombination dependent processes. Copyright © 2013 Elsevier Inc. All rights reserved.

  2. Charged Frenkel biexcitons in organic molecular crystals

    CERN Document Server

    Agranovich, V M; Kamchatnov, A M


    It is known that the energy of the lowest electronic transition in neutral molecules of anthracene, tetracene and other polyacenes is blue shifted in comparison with the corresponding transition energy in mono-valent molecular ions. This effect in molecular crystal may be responsible for the attraction between molecular (Frenkel) exciton and charge carrier. Due to this attraction the bound state of Frenkel exciton and free charge (charged Frenkel exciton) may be formed. The same mechanism can be responsible for formation of charged biexcitons (bound state of two Frenkel excitons and a charge carrier). Calculations are performed for molecular crystals like tetracene by means of one-dimensional lattice model

  3. Young's Modulus of Single-Crystal Fullerene C Nanotubes

    Directory of Open Access Journals (Sweden)

    Tokushi Kizuka


    Full Text Available We performed bending tests on single-crystal nanotubes composed of fullerene C70 molecules by in situ transmission electron microscopy with measurements of loading forces by an optical deflection method. The nanotubes with the outer diameters of 270–470 nm were bent using simple-beam and cantilever-beam loading by the piezomanipulation of silicon nanotips. Young's modulus of the nanotubes increased from 61 GPa to 110 GPa as the outer diameter decreased from 470 nm to 270 nm. Young's modulus was estimated to be 66% of that of single-crystal C60 nanotubes of the same outer diameter.

  4. High pressure single crystal and powder XRD study for neighborite (United States)

    Liu, H.


    After Murakami et al. (2004) identified the post-perovskite (ppv) phase transition in MgSiO3 perovskite (pv) at pressures and temperatures consistent with the onset of Earth's D" layer, lots of post-perovskite type phase transitions were founded in other similar systems. These discoveries provided a better understanding of heterogeneous structures and seismic anisotropy observed in the controversial region of the lower mantle. With previous experimental evidence showing the analogue system of neighborite NaMgF3 will transform from pv to ppv at 30 GPa, we performed high quality single crystal XRD experiment, which led to a more precise structure determination. Using helium as pressure medium, one metastable low symmetric phase before the pv-ppv structure transition was discovered, whose total energy was calculated as well. The comparison between single crystal and powder XRD data will be presented, and potential application will be discussed.

  5. Spall behaviour of single crystal aluminium at three principal orientations (United States)

    Owen, G. D.; Chapman, D. J.; Whiteman, G.; Stirk, S. M.; Millett, J. C. F.; Johnson, S.


    A series of plate impact experiments have been conducted to study the spall strength of the three principal crystallographic orientations of single crystal aluminium ([100], [110] and, [111]) and ultra-pure polycrystalline aluminium. The samples have been shock loaded at two impact stresses (4 GPa and 10 GPa). Significant differences have been observed in the elastic behaviour, the pullback velocities, and the general shape of the wave profiles, which can be accounted for by considerations of the microscale homogeneity, the dislocation density, and the absence of grain boundaries in the single crystal materials. The data have shown that there is a consistent order of spall strength measured for the four sample materials. The [111] orientation has the largest spall strength and elastic limit, followed closely by [110], [100], and then the polycrystalline material. This order is consistent with both quasi-static data and geometrical consideration of Schmid factors.

  6. Crystallization of Covalent Organic Frameworks for Gas Storage Applications

    Directory of Open Access Journals (Sweden)

    Lijuan Zhu


    Full Text Available Covalent organic frameworks (COFs have emerged as a new class of crystalline porous materials prepared by integrating organic molecular building blocks into predetermined network structures entirely through strong covalent bonds. The consequently encountered “crystallization problem” has been conquered by dynamic covalent chemistry in syntheses and reticular chemistry in materials design. In this contribution, we have reviewed the progress in the crystallization of COF materials and their hydrogen, methane and carbon dioxide gas storage properties for clean energy applications.

  7. Ion implantation induced blistering of rutile single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Xiang, Bing-Xi [School of Physics, Shandong University, Jinan, Shandong 250100 (China); Jiao, Yang [College of Physics and Electronics, Shandong Normal University, Jinan, Shandong 250100 (China); Guan, Jing [School of Physics, Shandong University, Jinan, Shandong 250100 (China); Wang, Lei [School of Physics, Shandong University, Jinan, Shandong 250100 (China); Key Laboratory of Nanodevices and Applications, Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences (China)


    The rutile single crystals were implanted by 200 keV He{sup +} ions with a series fluence and annealed at different temperatures to investigate the blistering behavior. The Rutherford backscattering spectrometry, optical microscope and X-ray diffraction were employed to characterize the implantation induced lattice damage and blistering. It was found that the blistering on rutile surface region can be realized by He{sup +} ion implantation with appropriate fluence and the following thermal annealing.

  8. Study of diffusion of Ag in Cu single crystals

    CERN Document Server

    Wang, R


    4.0 MeV sup 7 Li sup + sup + RBS and AES were used for investigations of thermal diffusion of Ag in Cu single crystals. The annealing of samples was carried out in vacuum in the temperature range from 498 to 613 K. The element depth concentration profiles transformed from RBS spectra indicate that the diffusion of Ag into Cu is a typical volume diffusion. The Arrhenius parameters corresponding to the diffusion were obtained.

  9. The specific heat of YBCO single crystals near Tc

    Energy Technology Data Exchange (ETDEWEB)

    Reagan, S.; Lawrie, I.D.; Howson, M.A. [Leeds Univ. (United Kingdom)


    The authors present results for the measured specific heat of YBCO single crystals between 80 and 110K. The specific heat has been measured using an a.c. optical heating technique with a temperature resolution of 15mK. The superconducting transition is marked by a sharply peaked {open_quote}Lambda{close_quote} like anomaly. The {open_quote}fluctuation{close_quote} contributions to the specific heat fit a logarithmic divergence very well.

  10. Dynamic Actuation of Single-Crystal Diamond Nanobeams (United States)


    United States E-mail: KEYWORDS: Single-crystal diamond, nanoelectromechanical systems ( NEMS ), nanofabrica- tion...actuate and transduce motion of na- noelectromechanical systems ( NEMS ) and applied to achieve mechanical resonance tuning,20 and coherent control of...wavelength used. Geometrical nonlinearity is the most common nonlinearity observed in NEMS , and according to theory results in a hardening effect.26 In

  11. Residual stress measurement of fiber texture materials near single crystal


    Mori, Toshiya; Gotoh, Masahide; Sasaki, Toshihiko; Hirose, Yukio


    In this paper, a sample having 〈111〉 fiber texture near single crystal structure made by PVD was evaluated about texture states by the pole figure and about residual stress states by the new expression for X-ray stress analysis. As a result, about 6GPa compressive residual stress existed in the film. However, measurement planes of X-ray line were influence on each stress value. Copyright © 2007 by The International Society of Offshore and Polar Engineers(ISOPE).

  12. Influence of solvents on the habit modification of alpha lactose monohydrate single crystals (United States)

    Parimaladevi, P.; Srinivasan, K.


    Restricted evaporation of solvent method was adopted for the growth of alpha lactose monohydrate single crystals from different solvents. The crystal habits of grown crystals were analysed. The form of crystallization was confirmed by powder x-ray diffraction analysis. Thermal behaviour of the grown crystals was studied by using differential scanning calorimetry.

  13. Interfacial dislocation motion and interactions in single-crystal superalloys

    Energy Technology Data Exchange (ETDEWEB)

    Liu, B. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Raabe, D. [Max Planck Inst. fur Eisenforshung. Dusseldorf (Germany); Roters, F. [Max Planck Inst. fur Eisenforshung. Dusseldorf (Germany); Arsenlis, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)


    The early stage of high-temperature low-stress creep in single-crystal superalloys is characterized by the rapid development of interfacial dislocation networks. Although interfacial motion and dynamic recovery of these dislocation networks have long been expected to control the subsequent creep behavior, direct observation and hence in-depth understanding of such processes has not been achieved. Incorporating recent developments of discrete dislocation dynamics models, we simulate interfacial dislocation motion in the channel structures of single-crystal superalloys, and investigate how interfacial dislocation motion and dynamic recovery are affected by interfacial dislocation interactions and lattice misfit. Different types of dislocation interactions are considered: self, collinear, coplanar, Lomer junction, glissile junction, and Hirth junction. The simulation results show that strong dynamic recovery occurs due to the short-range reactions of collinear annihilation and Lomer junction formation. The misfit stress is found to induce and accelerate dynamic recovery of interfacial dislocation networks involving self-interaction and Hirth junction formation, but slow down the steady interfacial motion of coplanar and glissile junction forming dislocation networks. The insights gained from these simulations on high-temperature low-stress creep of single-crystal superalloys are also discussed.

  14. TL properties of newly developed lithium tetraborate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Fernandes, A.C. [Nuclear Physics Centre, Av. Prof. Gama Pinto, 2, 1049 003 Lisbon (Portugal) and Hospital de Santa Maria, Servico de Radioterapia, Av. Prof. Egas Moniz, 1049 035 Lisbon (Portugal); Instituto Politecnico de Leiria, Escola Superior de Tecnologia do Mar, Santuario Na Sra. dos Remedios, 2520 631 Peniche (Portugal)], E-mail:; Osvay, M. [Institute of Isotopes, 1525 Budapest, P.O.B. 77 (Hungary); Santos, J.P. [Nuclear and Technological Institute, Estrada Nacional 10, 2686 953 Sacavem (Portugal); Holovey, V. [Institute of Electron Physics, NASU, 88000 Uzhgorod (Ukraine); Ignatovych, M. [Institute of Surface Chemistry, NASU, 03164 Kyiv (Ukraine)


    The thermoluminescent properties of transparent and colorless plates (6x6x1mm) of undoped and Cu-doped lithium tetraborate single crystals produced in the Institute of Electron Physics (Ukraine) were investigated using low and high LET radiations and mixed-radiation fields (photon and thermal neutrons). A comparative characterization of undoped (LTB) and Cu-doped (LTB:Cu) lithium tetraborate single crystals to TLD-100, TLD-700, TLD-700H and Al{sub 2}O{sub 3}:Mg,Y (D-3) dosemeters is also reported. The results show that LTB:Cu is approximately 50 times more sensitive to gamma radiation than LTB and 5 times more sensitive as compared with TLD-100 dosemeters. On the other hand, LTB:Cu is about 5 times less sensitive to thermal neutrons than LTB, which suggests the application of paired LTB and LTB:Cu for mixed-field dosimetry. Both LTB and LTB:Cu single crystals have negligible light sensitivities, which is a major improvement over former lithium tetraborate-based TLDs.

  15. Diamond turning of Si and Ge single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Blake, P.; Scattergood, R.O.


    Single-point diamond turning studies have been completed on Si and Ge crystals. A new process model was developed for diamond turning which is based on a critical depth of cut for plastic flow-to-brittle fracture transitions. This concept, when combined with the actual machining geometry for single-point turning, predicts that {open_quotes}ductile{close_quotes} machining is a combined action of plasticity and fracture. Interrupted cutting experiments also provide a meant to directly measure the critical depth parameter for given machining conditions.

  16. Grating coupler on single-crystal lithium niobate thin film (United States)

    Chen, Zhihua; Wang, Yiwen; Jiang, Yunpeng; Kong, Ruirui; Hu, Hui


    The grating coupler on single-crystal lithium niobate thin film (lithium niobate on insulator, LNOI) was designed. A bottom reflector was added in the LNOI material to improve the coupling efficiency. The grating structure was optimized by FDTD method. The material parameters such as layer thickness of lithium niobate thin film, SiO2 thickness were discussed with respect to the coupling efficiency, and the tolerances of grating period, etch depth, groove width and fiber position were also studied systematically. The simulated maximum coupling efficiency from a grating coupler with (without) bottom reflector to a single-mode fiber is about 78% (40%) in z-cut LNOI for TE polarization.

  17. Acquisition of Single Crystal Growth and Characterization Equipment

    Energy Technology Data Exchange (ETDEWEB)

    Maple, M. Brian; Zocco, Diego A.


    Final Report for DOE Grant No. DE-FG02-04ER46178 'Acquisition of Single Crystal Growth and Characterization Equipment'. There is growing concern in the condensed matter community that the need for quality crystal growth and materials preparation laboratories is not being met in the United States. It has been suggested that there are too many researchers performing measurements on too few materials. As a result, many user facilities are not being used optimally. The number of proficient crystal growers is too small. In addition, insufficient attention is being paid to the enterprise of finding new and interesting materials, which is the driving force behind much of condensed matter research and, ultimately, technology. While a detailed assessment of this situation is clearly needed, enough evidence of a problem already exists to compel a general consensus that the situation must be addressed promptly. This final report describes the work carried out during the last four years in our group, in which a state-of-the-art single crystal growth and characterization facility was established for the study of novel oxides and intermetallic compounds of rare earth, actinide and transition metal elements. Research emphasis is on the physics of superconducting (SC), magnetic, heavy fermion (HF), non-Fermi liquid (NFL) and other types of strongly correlated electron phenomena in bulk single crystals. Properties of these materials are being studied as a function of concentration of chemical constituents, temperature, pressure, and magnetic field, which provide information about the electronic, lattice, and magnetic excitations at the root of various strongly correlated electron phenomena. Most importantly, the facility makes possible the investigation of material properties that can only be achieved in high quality bulk single crystals, including magnetic and transport phenomena, studies of the effects of disorder, properties in the clean limit, and spectroscopic and

  18. A robust microfluidic device for the synthesis and crystal growth of organometallic polymers with highly organized structures. (United States)

    Liu, Xiao; Yi, Qiaolian; Han, Yongzhen; Liang, Zhenning; Shen, Chaohua; Zhou, Zhengyang; Sun, Jun-Liang; Li, Yizhi; Du, Wenbin; Cao, Rui


    A simple and robust microfluidic device was developed to synthesize organometallic polymers with highly organized structures. The device is compatible with organic solvents. Reactants are loaded into pairs of reservoirs connected by a 15 cm long microchannel prefilled with solvents, thus allowing long-term counter diffusion for self-assembly of organometallic polymers. The process can be monitored, and the resulting crystalline polymers are harvested without damage. The device was used to synthesize three insoluble silver acetylides as single crystals of X-ray diffraction quality. Importantly, for the first time, the single-crystal structure of silver phenylacetylide was determined. The reported approach may have wide applications, such as crystallization of membrane proteins, synthesis and crystal growth of organic, inorganic, and polymeric coordination compounds, whose single crystals cannot be obtained using traditional methods. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Unidirectional growth of L-lysine L-lysinium dichloride nitrate (L-LLDN) single crystals by the SR method

    Energy Technology Data Exchange (ETDEWEB)

    Vasudevan, V. [Crystal Growth and Thin Film Laboratory, School of Physics, Bharathidasan University, Tiruchirappalli 620 024 (India); Ramesh Babu, R., E-mail: [Crystal Growth and Thin Film Laboratory, School of Physics, Bharathidasan University, Tiruchirappalli 620 024 (India); Ramamurthi, K. [Crystal Growth and Thin Film Laboratory, School of Physics, Bharathidasan University, Tiruchirappalli 620 024 (India)


    Bulk semi-organic single crystals of L-lysine L-lysinium dichloride nitrate (L-LLDN) were grown by Sankaranarayanan-Ramasamy (SR) method. The experimental parameters involved in the present work are discussed in detail. The cut-off wavelength and the transmittance of the crystal were determined by UV-vis-NIR spectral analysis. Mechanical stability of the crystal was determined by Vickers microhardness tester. Refractive index of the crystal was measured using Brewster's angle method. A simple interferometric technique was used for measuring birefringence of the crystal. The frequency dependent dielectric constant ({epsilon}{sub r}) and dielectric loss (tan {delta}) were also measured. The results were analyzed for the L-LLDN crystals grown by both conventional and unidirectional methods. -- Research highlights: {yields} Growth of bulk L-LLDN single crystals by unidirectional solution growth method for the first time. {yields} Unidirectionally grown crystals have less defects. {yields} The double refraction was observed in unidirectionally grown L-LLDN single crystal. {yields} The unidirectionally grown L-LLDN crystal has better physical properties.

  20. Computational Modeling of Photonic Crystal Microcavity Single-Photon Emitters (United States)

    Saulnier, Nicole A.

    Conventional cryptography is based on algorithms that are mathematically complex and difficult to solve, such as factoring large numbers. The advent of a quantum computer would render these schemes useless. As scientists work to develop a quantum computer, cryptographers are developing new schemes for unconditionally secure cryptography. Quantum key distribution has emerged as one of the potential replacements of classical cryptography. It relics on the fact that measurement of a quantum bit changes the state of the bit and undetected eavesdropping is impossible. Single polarized photons can be used as the quantum bits, such that a quantum system would in some ways mirror the classical communication scheme. The quantum key distribution system would include components that create, transmit and detect single polarized photons. The focus of this work is on the development of an efficient single-photon source. This source is comprised of a single quantum dot inside of a photonic crystal microcavity. To better understand the physics behind the device, a computational model is developed. The model uses Finite-Difference Time-Domain methods to analyze the electromagnetic field distribution in photonic crystal microcavities. It uses an 8-band k · p perturbation theory to compute the energy band structure of the epitaxially grown quantum dots. We discuss a method that combines the results of these two calculations for determining the spontaneous emission lifetime of a quantum dot in bulk material or in a microcavity. The computational models developed in this thesis are used to identify and characterize microcavities for potential use in a single-photon source. The computational tools developed are also used to investigate novel photonic crystal microcavities that incorporate 1D distributed Bragg reflectors for vertical confinement. It is found that the spontaneous emission enhancement in the quasi-3D cavities can be significantly greater than in traditional suspended slab

  1. Preparation of Single-Crystalline Heterojunctions for Organic Electronics. (United States)

    Wu, Jiake; Li, Qinfen; Xue, Guobiao; Chen, Hongzheng; Li, Hanying


    Organic single-crystalline heterojunctions are composed of different single crystals interfaced together. The intrinsic highly ordered heterostructure in these multicomponent solids holds the capacity for multifunctions, as well as superior charge-transporting properties, promising high-performance electronic applications such as ambipolar transistors and solar cells. However, this kind of heterojunction is not easily available and the preparation methods need to be developed. Recent advances in the efficient strategies that have emerged in yielding high-quality single-crystalline heterojunctions are highlighted here. The advantages and limitations of each strategy are also discussed. The obtained single-crystalline heterojunctions have started to exhibit rich physical properties, including metallic conduction, photovoltaic effects, and so on. Further structural optimization of the heterojunctions to accommodate the electronic device configuration is necessary to significantly advance this research direction. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Self-templated synthesis of single-crystal and single-domain ferroelectric nanoplates

    KAUST Repository

    Chao, Chunying


    Free-standing single-crystal PbTiO 3 nanoplates (see picture) were synthesized by a facile hydrothermal method. A "self-templated" crystal growth is presumed to lead to the formation of the PbTiO 3 nanoplates, which have ferroelectric single-domain structures, whose polarization areas can be manipulated by writing and reading. The nanoplates are also effective catalysts for the oxidation of carbon monoxide. © 2012 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Hierarchical zeolites: progress on synthesis and characterization of mesoporous zeolite single crystal catalysts

    DEFF Research Database (Denmark)

    Kustova, Marina; Egeblad, Kresten; Christensen, Claus H.


    Recently, a new family of crystalline zeolitic materials was reported, the so-called mesoporous zeolite single crystals featuring individual zeolite single crystals with an additional noncrystalline mesopore system interconnected with the usual micropore system of the zeolite, resulting in a hier......Recently, a new family of crystalline zeolitic materials was reported, the so-called mesoporous zeolite single crystals featuring individual zeolite single crystals with an additional noncrystalline mesopore system interconnected with the usual micropore system of the zeolite, resulting...

  4. Encapsulation of nanoparticles into single-crystal ZnO nanorods and microrods

    Directory of Open Access Journals (Sweden)

    Jinzhang Liu


    Full Text Available One-dimensional single crystal incorporating functional nanoparticles of other materials could be an interesting platform for various applications. We studied the encapsulation of nanoparticles into single-crystal ZnO nanorods by exploiting the crystal growth of ZnO in aqueous solution. Two types of nanodiamonds with mean diameters of 10 nm and 40 nm, respectively, and polymer nanobeads with size of 200 nm have been used to study the encapsulation process. It was found that by regrowing these ZnO nanorods with nanoparticles attached to their surfaces, a full encapsulation of nanoparticles into nanorods can be achieved. We demonstrate that our low-temperature aqueous solution growth of ZnO nanorods do not affect or cause degradation of the nanoparticles of either inorganic or organic materials. This new growth method opens the way to a plethora of applications combining the properties of single crystal host and encapsulated nanoparticles. We perform micro-photoluminescence measurement on a single ZnO nanorod containing luminescent nanodiamonds and the spectrum has a different shape from that of naked nanodiamonds, revealing the cavity effect of ZnO nanorod.

  5. Encapsulation of nanoparticles into single-crystal ZnO nanorods and microrods. (United States)

    Liu, Jinzhang; Notarianni, Marco; Rintoul, Llew; Motta, Nunzio


    One-dimensional single crystal incorporating functional nanoparticles of other materials could be an interesting platform for various applications. We studied the encapsulation of nanoparticles into single-crystal ZnO nanorods by exploiting the crystal growth of ZnO in aqueous solution. Two types of nanodiamonds with mean diameters of 10 nm and 40 nm, respectively, and polymer nanobeads with size of 200 nm have been used to study the encapsulation process. It was found that by regrowing these ZnO nanorods with nanoparticles attached to their surfaces, a full encapsulation of nanoparticles into nanorods can be achieved. We demonstrate that our low-temperature aqueous solution growth of ZnO nanorods do not affect or cause degradation of the nanoparticles of either inorganic or organic materials. This new growth method opens the way to a plethora of applications combining the properties of single crystal host and encapsulated nanoparticles. We perform micro-photoluminescence measurement on a single ZnO nanorod containing luminescent nanodiamonds and the spectrum has a different shape from that of naked nanodiamonds, revealing the cavity effect of ZnO nanorod.

  6. Potential Advantage of Multiple Alkali Metal Doped KNbO3 Single Crystals

    Directory of Open Access Journals (Sweden)

    Hideo Kimura


    Full Text Available Potassium niobate crystal KNbO3 (KN is a well-known crystal for lead free piezoelectric or nonlinear optical applications. The KN crystal has been studied in both single crystal form and in thin film form which has resulted in many review articles being published. In order to exceed the KN crystal, it is important to study KN phase forming and doping effects on the K site. This article summarizes the authors’ study towards a multiple alkali metal doped KN crystal and related single crystals briefly from the viewpoint of crystal growth.

  7. Standard Reference Material (SRM 1990) for Single Crystal Diffractometer Alignment (United States)

    Wong-Ng, W.; Siegrist, T.; DeTitta, G.T.; Finger, L.W.; Evans, H.T.; Gabe, E.J.; Enright, G.D.; Armstrong, J.T.; Levenson, M.; Cook, L.P.; Hubbard, C.R.


    An international project was successfully completed which involved two major undertakings: (1) a round-robin to demonstrate the viability of the selected standard and (2) the certification of the lattice parameters of the SRM 1990, a Standard Reference Material?? for single crystal diffractometer alignment. This SRM is a set of ???3500 units of Cr-doped Al2O3, or ruby spheres [(0 420.011 mole fraction % Cr (expanded uncertainty)]. The round-robin consisted of determination of lattice parameters of a pair of crystals' the ruby sphere as a standard, and a zeolite reference to serve as an unknown. Fifty pairs of crystals were dispatched from Hauptman-Woodward Medical Research Institute to volunteers in x-ray laboratories world-wide. A total of 45 sets of data was received from 32 laboratories. The mean unit cell parameters of the ruby spheres was found to be a=4.7608 A?? ?? 0.0062 A??, and c=12.9979 A?? ?? 0.020 A?? (95 % intervals of the laboratory means). The source of errors of outlier data was identified. The SRM project involved the certification of lattice parameters using four well-aligned single crystal diffractometers at (Bell Laboratories) Lucent Technologies and at NRC of Canada (39 ruby spheres), the quantification of the Cr content using a combined microprobe and SEM/EDS technique, and the evaluation of the mosaicity of the ruby spheres using a double-crystal spectrometry method. A confirmation of the lattice parameters was also conducted using a Guinier-Ha??gg camera. Systematic corrections of thermal expansion and refraction corrections were applied. These rubies_ are rhombohedral, with space group R3c. The certified mean unit cell parameters are a=4.76080 ?? 0.00029 A??, and c=12 99568 A?? ?? 0.00087 A?? (expanded uncertainty). These certified lattice parameters fall well within the results of those obtained from the international round-robin study. The Guinier-Ha??gg transmission measurements on five samples of powdered rubies (a=4.7610 A?? ?? 0

  8. Employing a cylindrical single crystal in gas-surface dynamics (United States)

    Hahn, Christine; Shan, Junjun; Liu, Ying; Berg, Otto; Kleijn, Aart W.; Juurlink, Ludo B. F.


    We describe the use of a polished, hollow cylindrical nickel single crystal to study effects of step edges on adsorption and desorption of gas phase molecules. The crystal is held in an ultra-high vacuum apparatus by a crystal holder that provides axial rotation about a [100] direction, and a crystal temperature range of 89 to 1100 K. A microchannel plate-based low energy electron diffraction/retarding field Auger electron spectrometer (AES) apparatus identifies surface structures present on the outer surface of the cylinder, while a separate double pass cylindrical mirror analyzer AES verifies surface cleanliness. A supersonic molecular beam, skimmed by a rectangular slot, impinges molecules on a narrow longitudinal strip of the surface. Here, we use the King and Wells technique to demonstrate how surface structure influences the dissociation probability of deuterium at various kinetic energies. Finally, we introduce spatially-resolved temperature programmed desorption from areas exposed to the supersonic molecular beam to show how surface structures influence desorption features.

  9. Large pyramid shaped single crystals of BiFeO{sub 3} by solvothermal synthesis method

    Energy Technology Data Exchange (ETDEWEB)

    Sornadurai, D.; Ravindran, T. R.; Paul, V. Thomas; Sastry, V. Sankara [Condensed Matter Physics Division, Materials Science Group, Physical Metallurgy Division, Metallurgy and Materials Group, Indira Gandhi Centre for Atomic Research, Kalpakkam, Tamil Nadu (India); Condensed Matter Physics Division, Materials Science Group (India)


    Synthesis parameters are optimized in order to grow single crystals of multiferroic BiFeO{sub 3}. 2 to 3 mm size pyramid (tetrahedron) shaped single crystals were successfully obtained by solvothermal method. Scanning electron microscopy with EDAX confirmed the phase formation. Raman scattering spectra of bulk BiFeO3 single crystals have been measured which match well with reported spectra.

  10. Micromechanical Behavior of Single-Crystal Superalloy with Different Crystal Orientations by Microindentation

    Directory of Open Access Journals (Sweden)

    Jinghui Li


    Full Text Available In order to investigate the anisotropic micromechanical properties of single-crystal nickel-based superalloy DD99 of four crystallographic orientations, (001, (215, (405, and (605, microindentation test (MIT was conducted with different loads and loading velocities by a sharp Berkovich indenter. Some material parameters reflecting the micromechanical behavior of DD99, such as microhardness H, Young’s modulus E, yield stress σy, strain hardening component n, and tensile strength σb, can be obtained from load-displacement relations. H and E of four different crystal planes evidently decrease with the increase of h. The reduction of H is due to dislocation hardening while E is related to interplanar spacing and crystal variable. σy of (215 is the largest among four crystal planes, followed by (605, and (001 has the lowest value. n of (215 is the lowest, followed by (605, and that of (001 is the largest. Subsequently, a simplified elastic-plastic material model was employed for 3D microindentation simulation of DD99 with various crystal orientations. The simulation results agreed well with experimental, which confirmed the accuracy of the simplified material model.

  11. Growth and Characterization of Lead-free Piezoelectric Single Crystals

    Directory of Open Access Journals (Sweden)

    Philippe Veber


    Full Text Available Lead-free piezoelectric materials attract more and more attention owing to the environmental toxicity of lead-containing materials. In this work, we review our first attempts of single crystal grown by the top-seeded solution growth method of BaTiO3 substituted with zirconium and calcium (BCTZ and (K0.5Na0.5NbO3 substituted with lithium, tantalum, and antimony (KNLSTN. The growth methodology is optimized in order to reach the best compositions where enhanced properties are expected. Chemical analysis and electrical characterizations are presented for both kinds of crystals. The compositionally-dependent electrical performance is investigated for a better understanding of the relationship between the composition and electrical properties. A cross-over from relaxor to ferroelectric state in BCTZ solid solution is evidenced similar to the one reported in ceramics. In KNLSTN single crystals, we observed a substantial evolution of the orthorhombic-to-tetragonal phase transition under minute composition changes.

  12. Strength anomaly in B2 FeAl single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Yoshimi, K.; Hanada, S.; Yoo, M.H. [Oak Ridge National Lab., TN (United States); Matsumoto, N. [Tohoku Univ. (Japan). Graduate School


    Strength and deformation microstructure of B2 Fe-39 and 48%Al single crystals (composition given in atomic percent), which were fully annealed to remove frozen-in vacancies, have been investigated at temperatures between room temperature and 1073K. The hardness of as-homogenized Fe-48Al is higher than that of as-homogenized Fe-39Al while after additional annealing at 698K the hardness of Fe-48Al becomes lower than that of Fe-39Al. Fe-39Al single crystals slowly cooled after homogenizing at a high temperature were deformed in compression as a function of temperature and crystal orientation. A peak of yield strength appears around 0.5T{sub m} (T{sub m} = melting temperature). The orientation dependence of the critical resolved shear stress does not obey Schmid`s law even at room temperature and is quite different from that of b.c.c. metals and B2 intermetallics at low temperatures. At the peak temperature slip transition from <111>-type to <001>-type is found to occur macroscopically and microscopically, while it is observed in TEM that some of the [111] dislocations decompose into [101] and [010] on the (1096I) plane below the peak temperature. The physical sources for the positive temperature dependence of yield stress of B2 FeAl are discussed based on the obtained results.

  13. Strain incompatibility and residual strains in ferroelectric single crystals. (United States)

    Pramanick, A; Jones, J L; Tutuncu, G; Ghosh, D; Stoica, A D; An, K


    Residual strains in ferroelectrics are known to adversely affect the material properties by aggravating crack growth and fatigue degradation. The primary cause for residual strains is strain incompatibility between different microstructural entities. For example, it was shown in polycrystalline ferroelectrics that residual strains are caused due to incompatibility between the electric-field-induced strains in grains with different crystallographic orientations. However, similar characterization of cause-effect in multidomain ferroelectric single crystals is lacking. In this article, we report on the development of plastic residual strains in [111]-oriented domain engineered BaTiO(3) single crystals. These internal strains are created due to strain incompatibility across 90° domain walls between the differently oriented domains. The average residual strains over a large crystal volume measured by in situ neutron diffraction is comparable to previous X-ray measurements of localized strains near domain boundaries, but are an order of magnitude lower than electric-field-induced residual strains in polycrystalline ferroelectrics.

  14. Single-crystal membrane for anisotropic and efficient gas permeation. (United States)

    Takamizawa, Satoshi; Takasaki, Yuichi; Miyake, Ryosuke


    Development of gas separation materials has been one of the basic requirements of industry. Microporous materials have adequate pores for gas separation and have contributed to the advancement of gas purification techniques. Because the simplest and most economical method would be membrane separation, various microporous membranes have been prepared and explored for their separation properties. However, a key issue remains as to how to generate defect-free membranes with practical gas permeance. Here we report the preparation of a well-oriented single-crystal membrane with high permeance by using a flexible single crystal of [Cu(2)(bza)(4)(pyz)](n) possessing one-dimensional (1D) penetration channels; this membrane exhibits anisotropic gas permeation through the 1D channels with high permselectivity for H(2) and CO(2). Although the diameter of the neck of the narrow channels is smaller than the kinetic diameters of the sample gases, various gases pass through the 1D channels. This report provides a new way of developing gas permeation membranes as sophisticated crystal devices for gas purification techniques.

  15. Advanced Method for Single Crystal Casting of Turbine Blades for Gas Turbine Engines and Plants (United States)

    Toloraiya, V. N.; Orekhov, N. G.; Kablov, E. N.


    A method for fabricating single crystal blades that combines the techniques of seed crystals and selection is suggested. The method realizes the advantages of both techniques, i.e., the high structural perfection and the possibility of fabricating single crystals with specified spatial orientation. Metallographic and x-ray diffraction analyses are used to study the processes of nucleation of the single crystal structure of blade castings fabricated from high-temperature nickel alloys by the method of selection and seed crystals. A commercial process for fabricating cast single crystal turbine blades by the new method is suggested.

  16. Determination of Crystal Orientation by Ω-Scan Method in Nickel-Based Single-Crystal Turbine Blades (United States)

    Gancarczyk, Kamil; Albrecht, Robert; Berger, Hans; Szeliga, Dariusz; Gradzik, Andrzej; Sieniawski, Jan


    The article presents an assessment of the crystal perfection of single-crystal turbine blades based on the crystal orientation and lattice parameter distribution on their surface. Crystal orientation analysis was conducted by the X-ray diffraction method Ω-scan and the X-ray diffractometer provided by the EFG Company. The Ω-scan method was successfully used for evaluation of the crystal orientation and lattice parameters in semiconductors. A description of the Ω-scan method and an example of measurement of crystal orientation compared to the Laue and EBSD methods are presented.

  17. Single-Crystal-to-Single-Crystal Anion Exchange in a Gadolinium MOF: Incorporation of POMs and [AuCl4]−

    Directory of Open Access Journals (Sweden)

    Javier López-Cabrelles


    Full Text Available The encapsulation of functional molecules inside porous coordination polymers (also known as metal-organic frameworks, MOFs has become of great interest in recent years at the field of multifunctional materials. In this article, we present a study of the effects of size and charge in the anion exchange process of a Gd based MOF, involving molecular species like polyoxometalates (POMs, and [AuCl4]−. This post-synthetic modification has been characterized by IR, EDAX, and single crystal diffraction, which have provided unequivocal evidence of the location of the anion molecules in the framework.

  18. High pressure Raman spectra of monoglycine nitrate single crystal (United States)

    Carvalho, J. O.; Moura, G. M.; Dos Santos, A. O.; Lima, R. J. C.; Freire, P. T. C.; Façanha Filho, P. F.


    Single crystal of monoglycine nitrate has been studied by Raman spectroscopy under high pressures up to 5.5 GPa. The results show changes in lattice modes in the pressure ranges of 1.1-1.6 GPa and 4.0-4.6 GPa. The first change occurs with appearance of bands related to the lattice modes as well as discontinuity in the slope of dΩ/dP of these modes. Moreover, bands associated with the skeleton of glycine suggest that the molecule undergoes conformational modifications. The appearance of a strong band at 55 cm- 1 point to a second phase transition associated with the lattice modes, while the internal modes remain unchanged. These anomalies are probably due to rearrangement of hydrogen bonds. Additionally, decompression to ambient pressure shows that the phase transitions are reversible. Finally, the results show that the nitrate anions play an important role on the stability of the monoglycine nitrate crystal.

  19. α-Lead tellurite from single-crystal data

    Directory of Open Access Journals (Sweden)

    Adam I. Stash


    Full Text Available The crystal structure of the title compound, α-PbTeO3 (PTO, has been reported previously by Mariolacos [Anz. Oesterr. Akad. Wiss. Math. Naturwiss. Kl. (1969, 106, 128–130], refined on powder data. The current determination at room temperature from data obtained from single crystals grown by the Czochralski method shows a significant improvement in the precision of the geometric parameters when all atoms have been refined anisotropically. The selection of a centrosymmetric (C2/c structure model was confirmed by the second harmonic generation test. The asymmetric unit contains three formula units. The structure of PTO is built up of three types of distorted [PbOx] polyhedra (x = 7 and 9 which share their O atoms with TeO3 pyramidal units. These main anionic polyhedra are responsible for establishing the two types of tunnel required for the stereochemical activity of the lone pairs of the Pb2+ and Te4+ cations.

  20. Design and analysis of large-core single-mode windmill single crystal sapphire optical fiber (United States)

    Cheng, Yujie; Hill, Cary; Liu, Bo; Yu, Zhihao; Xuan, Haifeng; Homa, Daniel; Wang, Anbo; Pickrell, Gary


    We present a large-core single-mode "windmill" single crystal sapphire optical fiber (SCSF) design, which exhibits single-mode operation by stripping off the higher-order modes (HOMs) while maintaining the fundamental mode. The "windmill" SCSF design was analyzed using the finite element analysis method, in which all the HOMs are leaky. The numerical simulation results show single-mode operation in the spectral range from 0.4 to 2 μm in the windmill SCSF, with an effective core diameter as large as 14 μm. Such fiber is expected to improve the performance of many of the current sapphire fiber optic sensor structures.

  1. Crystallization of Organic Semiconductor Molecules in Nanosized Cavities

    DEFF Research Database (Denmark)

    Milita, Silvia; Dionigi, Chiara; Borgatti, Francesco


    The crystallization of an organic semiconductor, viz., tetrahexil-sexithiophene (H4T6) molecules, confined into nanosized cavities of a self-organized polystyrene beads template, has been investigated by means of in situ grazing incidence X-ray diffraction measurements, during the solvent...

  2. Fabrication of ZnO Bi-crystals with twist boundaries using Co doped ZnO single crystals

    CERN Document Server

    Ohashi, N; Ohgaki, T; Tsurumi, T; Fukunaga, O; Haneda, H; Tanaka, J


    Zn O single crystals doped with Co were grown by using a flux method and their electrical properties were investigated by Hall effect. Then, these crystals were polished with diamond paste and bonded to form bi-crystal by hot pressing under a pressure of 10 MPa at 1000 .deg. C. The bi-crystals showed nonlinear I-V curves, and the curvature of I-V relation agreed with that for Co-doped polycrystalline ZnO.

  3. Field emission properties of single crystal chromium disilicide nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Valentin, L. A.; Carpena-Nunez, J.; Yang, D.; Fonseca, L. F. [Department of Physics, University of Puerto Rico, Rio Piedras Campus, P.O. Box 70377, San Juan, 00931 (Puerto Rico)


    The composition, crystal structure, and field emission properties of high-crystallinity chromium disilicide (CrSi{sub 2}) nanowires synthesized by a vapor deposition method have been studied. High resolution transmission electron microscopy, energy dispersive spectroscopy, and selected area electron diffraction studies confirm the single-crystalline structure and composition of the CrSi{sub 2} nanowires. Field emission measurements show that an emission current density of 0.1 {mu}A/cm{sup 2} was obtained at a turn-on electric field intensity of 2.80 V/{mu}m. The maximum emission current measured was 1.86 mA/cm{sup 2} at 3.6 V/{mu}m. The relation between the emission current density and the electric field obtained follows the Fowler-Nordheim equation, with an enhancement coefficient of 1140. The electrical conductivity of single nanowires was measured by using four-point-probe specialized microdevices at different temperatures, and the calculated values are close to those reported in previous studies for highly conductive single crystal bulk CrSi{sub 2}. The thermal tolerance of the nanowires was studied up to a temperature of 1100 Degree-Sign C. The stability of the field emission current, the I-E values, their thermal tolerance, and high electrical conductivity make CrSi{sub 2} nanowires a promising material for field emission applications.

  4. Field emission properties of single crystal chromium disilicide nanowires (United States)

    Valentín, L. A.; Carpena-Nuñez, J.; Yang, D.; Fonseca, L. F.


    The composition, crystal structure, and field emission properties of high-crystallinity chromium disilicide (CrSi2) nanowires synthesized by a vapor deposition method have been studied. High resolution transmission electron microscopy, energy dispersive spectroscopy, and selected area electron diffraction studies confirm the single-crystalline structure and composition of the CrSi2 nanowires. Field emission measurements show that an emission current density of 0.1 μA/cm2 was obtained at a turn-on electric field intensity of 2.80 V/μm. The maximum emission current measured was 1.86 mA/cm2 at 3.6 V/μm. The relation between the emission current density and the electric field obtained follows the Fowler-Nordheim equation, with an enhancement coefficient of 1140. The electrical conductivity of single nanowires was measured by using four-point-probe specialized microdevices at different temperatures, and the calculated values are close to those reported in previous studies for highly conductive single crystal bulk CrSi2. The thermal tolerance of the nanowires was studied up to a temperature of 1100 °C. The stability of the field emission current, the I-E values, their thermal tolerance, and high electrical conductivity make CrSi2 nanowires a promising material for field emission applications.

  5. Characteristics evaluation of stilbene single crystal grown by vertical bridgman technique

    Energy Technology Data Exchange (ETDEWEB)

    Jo, Kwang Ho


    As the nature of organic scintillator, stilbene single crystal's decay time is only a couple of nano seconds, which makes it suitable for fast neutron detection. However, the entire amount of stilbene single crystal being used relies on import currently. As the necessity of fast neutron detection equipment such as KSTAR and Sodium-cooled Fast Reactor system increases, the goal is to have our own domestic technology through the growth of stilbene single crystal. The emission wavelength of grown stilbene single crystal is confirmed, and the property of grown stilbene single crystal is assessed compared to commercial stilbene (Ukraine ISMA research center) through gamma ray and neutron tests. In this research, we have grown stilbenes through Bridgman technique, and obtained three stilbenes out of two amples. (Two ones of {Phi} 30 mm x 15 mm, and {Phi} 40 mm x 17 mm from the first ample, and size of {Phi} 25 mm x 13 mm from the other) The grown stilbene's emission wavelength and inherent property of stilbene are confirmed. As the result of gamma ray test, we have confirmed linearity of grown stilbene's scintillator, and the relative light yield ratio is proven 101% efficiency to reference stilbene. Neutron detection efficiency of the three stilbenes amounts to 80% of reference stilbene, and FOM of them is 108% efficiency to reference stilbene's one. Although Ukraine ISMA research center still holds a dominant position with world-class efficiency and performance of its stilbene, we expect to produce a better stilbene with our domestic technology development. Through this, fast neutron detection technique can be obtained, which opens up an opportunity to be used not only in neutron monitoring system in nuclear fusion reactor, but also in alternative measurement technique as the unit price of He-3 increases recently

  6. Recent developments in SiC single-crystal electronics (United States)

    Ivanov, P. A.; Chelnokov, V. E.


    The present paper is an analytical review of the last five or six years of research and development in SiC. It outlines the major achievements in single crystal growth and device technology. Electrical performance of SiC devices designed during these years and some new trends in SiC electronics are also discussed. During the 1980s the studies on sublimation and liquid-phase epitaxial growth of SiC single crystal were continued successfully. At that time, such methods as chemical vapour deposition, thermal oxidation, 'dry' plasma etching and ion implantation which yielded good results with silicon, came into use. As a result of the technological progress, discrete devices appeared, which incorporated the potential advantages of SiC as a wide bandgap material. Among these were high temperature (500-600 degrees C) rectifier diodes and field-effect transistors, high efficiency light-emitting diodes for the short-wave region of the visible spectrum, and detectors of ultraviolet radiation. It should be stressed that the devices were of commercial quality and could be applied in various fields (control systems of automobile engines, aerospace apparatus, geophysical equipment, colour displays in information systems, etc.). The developments in technology and the promising results of research on electrical performance of the devices already available give hope that in the near future SiC may become the basic material for power microwave devices, and for thermo- and radiation-resistant integrated circuits. This process can be stimulated by further perfection of single-crystal substrates of large area, by development of stable high temperature ohmic contacts, micro- and heterostructures.

  7. Tensor tomography of stresses in cubic single crystals

    Directory of Open Access Journals (Sweden)

    Dmitry D. Karov


    Full Text Available The possibility of optical tomography applying to investigation of a two-dimensional and a three-dimensional stressed state in single cubic crystals has been studied. Stresses are determined within the framework of the Maxwell piezo-optic law (linear dependence of the permittivity tensor on stresses and weak optical anisotropy. It is shown that a complete reconstruction of stresses in a sample is impossible both by translucence it in the parallel planes system and by using of the elasticity theory equations. For overcoming these difficulties, it is offered to use a method of magnetophotoelasticity.

  8. Plastic anisotropy in MoSi{sub 2} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Mitchell, T.E.; Maloy, S.A.


    Single crystals Of MoSi{sub 2} are an order of magnitude stronger when compressed along [001] than along any other orientation. This is because the easy slip systems, <101><100> and <110><111>, have a zero Schmid factor acting on them so that harder slip systems are forced into operation. We find that [001] crystals compressed at 1OOO{degree}C yield by slip on <103><331>. TEM shows that the 1/2<331> dislocations tend to decompose into 1/2<111> and <110> dislocations. This decomposition process apparently inhibits the mobility of 1/2<331> dislocations at higher temperatures and another system, <101><1ll>, becomes operative at 1300{degree}C and above. [021] crystals have been tested for comparison and are found to yield at much lower stresses on the easy systems. In the design of advanced high temperature structural materials based on MOSi{sub 2}, the large plastic anisotropy should be used to advantage.

  9. Defect sensitive etching of hexagonal boron nitride single crystals (United States)

    Edgar, J. H.; Liu, S.; Hoffman, T.; Zhang, Yichao; Twigg, M. E.; Bassim, Nabil D.; Liang, Shenglong; Khan, Neelam


    Defect sensitive etching (DSE) was developed to estimate the density of non-basal plane dislocations in hexagonal boron nitride (hBN) single crystals. The crystals employed in this study were precipitated by slowly cooling (2-4 °C/h) a nickel-chromium flux saturated with hBN from 1500 °C under 1 bar of flowing nitrogen. On the (0001) planes, hexagonal-shaped etch pits were formed by etching the crystals in a eutectic mixture of NaOH and KOH between 450 °C and 525 °C for 1-2 min. There were three types of pits: pointed bottom, flat bottom, and mixed shape pits. Cross-sectional transmission electron microscopy revealed that the pointed bottom etch pits examined were associated with threading dislocations. All of these dislocations had an a-type burgers vector (i.e., they were edge dislocations, since the line direction is perpendicular to the [ 2 11 ¯ 0 ]-type direction). The pit widths were much wider than the pit depths as measured by atomic force microscopy, indicating the lateral etch rate was much faster than the vertical etch rate. From an Arrhenius plot of the log of the etch rate versus the inverse temperature, the activation energy was approximately 60 kJ/mol. This work demonstrates that DSE is an effective method for locating threading dislocations in hBN and estimating their densities.

  10. Large-mode-area single-polarization single-mode photonic crystal fiber: design and analysis. (United States)

    Kumar, Ajeet; Saini, Than Singh; Naik, Kishor Dinkar; Sinha, Ravindra Kumar


    A rectangular core photonic crystal fiber structure has been presented and analyzed for single-polarization single-mode operation. Single-polarization is obtained with asymmetric design and by introducing different loss for x-polarization and y-polarization of fundamental modes. Single-polarization single-mode operation of the proposed photonic crystal fiber is investigated in detail by using a full vector finite element method with an anisotropic perfectly matched layer. The variations of the confinement loss and effective mode area of x-polarization and y-polarization of fundamental modes have been simulated by varying the structural parameters of the proposed photonic crystal fiber. At the optimized parameters, confinement loss and effective mode area is obtained as 0.94 dB/m and 60.67  μm2 for y-polarization as well as 26.67 dB/m and 67.23  μm2 for x-polarization of fundamental modes, respectively, at 1.55 μm. Therefore simulation results confirmed that, 0.75 m length of fiber will be sufficient to get a y-polarized fundamental mode with an effective mode area as large as 60.67  μm2.

  11. Growth and surface topography of WSe{sub 2} single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Dixit, Vijay, E-mail:; Vyas, Chirag; Pataniya, Pratik; Jani, Mihir; Pathak, Vishal; Patel, Abhishek; Pathak, V. M., E-mail:; Patel, K. D., E-mail:; Solanki, G. K. [Department of Physics, Sardar Patel University, Vallabh Vidya Nagar, Anand Gujarat India 388120 (India)


    Tungsten Di-Selenide belongs to the family of TMDCs showing their potential applications in the fields of Optoelectronics and PEC solar cells. Here in the present investigation single crystals of WSe{sub 2} were grown by Direct Vapour Transport Technique in a dual zone furnace having temperature difference of 50 K between the two zones. These single crystals were characterized by EDAX which confirms the stiochiometry of the grown crystals. Surface topography of the crystal was studied by optical micrograph showing the left handed spirals on the surface of WSe{sub 2} crystals. Single crystalline nature of the crystals was confirmed by SAED.

  12. CH3NH3PbCl3 Single Crystals: Inverse Temperature Crystallization and Visible-Blind UV-Photodetector

    KAUST Repository

    Maculan, Giacomo


    Single crystals of hybrid perovskites have shown remarkably improved physical properties compared to their polycrystalline film counterparts, underscoring their importance in the further development of advanced semiconductor devices. Here we present a new method of sizeable CH3NH3PbCl3 single crystal growth based on retrograde solubility behavior of hybrid perovskites. We show, for the first time, the energy band structure, charge-carrier recombination and transport properties of single crystal CH3NH3PbCl3. The chloride-based perovskite crystals exhibit trap-state density, charge carriers concentration, mobility and diffusion length comparable with the best quality crystals of methylammonium lead iodide or bromide perovskites reported so far. The high quality of the crystal along with its suitable optical bandgap enabled us to design and build an efficient visible-blind UV-photodetector, demonstrating the potential of this material to be employed in optoelectronic applications.

  13. Single Crystal Diamond Needle as Point Electron Source (United States)

    Kleshch, Victor I.; Purcell, Stephen T.; Obraztsov, Alexander N.


    Diamond has been considered to be one of the most attractive materials for cold-cathode applications during past two decades. However, its real application is hampered by the necessity to provide appropriate amount and transport of electrons to emitter surface which is usually achieved by using nanometer size or highly defective crystallites having much lower physical characteristics than the ideal diamond. Here, for the first time the use of single crystal diamond emitter with high aspect ratio as a point electron source is reported. Single crystal diamond needles were obtained by selective oxidation of polycrystalline diamond films produced by plasma enhanced chemical vapor deposition. Field emission currents and total electron energy distributions were measured for individual diamond needles as functions of extraction voltage and temperature. The needles demonstrate current saturation phenomenon and sensitivity of emission to temperature. The analysis of the voltage drops measured via electron energy analyzer shows that the conduction is provided by the surface of the diamond needles and is governed by Poole-Frenkel transport mechanism with characteristic trap energy of 0.2-0.3 eV. The temperature-sensitive FE characteristics of the diamond needles are of great interest for production of the point electron beam sources and sensors for vacuum electronics.

  14. The refractive index of zinc oxide microwire single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Czekalla, Christian; Kuehne, Philipp; Sturm, Chris; Schmidt-Grund, Ruediger; Grundmann, Marius [Universitaet Leipzig (Germany). Fakultaet fuer Physik und Geowissenschaften, Institut fuer Experimentelle Physik II


    Among a large number of applications, zinc oxide (ZnO) single crystals (bulk and micro- and nanowires) are expected to form important building blocks for future optoelectronic devices like light emitting and laser diodes. Optical resonances from ZnO structures have been observed by a number of groups in the past years. In most of the publications, modeling of the mode structure, especially in the near bandgap spectral region, is difficult because the energy dependent refractive index n(E) is typically not known. Additionally, in case of the self assembled micro- and nanowires, the structures are too small to perform spectroscopic ellipsometry to determine n(E). We compare n(E) obtained from (a) spectroscopic ellipsometry measurements of ZnO bulk single crystals and (b) spatially resolved photoluminescence measurements of ZnO microwires employing a plane wave whispering gallery mode model for the observed resonances. We discuss the differences between the results obtained from the two methods and their mutual impact, leading to a highly precise determination of n(E) in an energy range between 1.80 eV and 3.25 eV and for temperatures between 10 K and 295 K.

  15. Stress topology within silicon single-crystal cantilever beam

    Directory of Open Access Journals (Sweden)

    Alexander P. Kuzmenko


    Full Text Available Flexural elastic deformations of single-crystal silicon have been studied using microspectral Raman scattering. Results are reported on nano-scaled sign-changing shifts of the main peak of the microspectral Raman scattering within the single-crystal silicon cantilever beam during exposure to flexural stress. The maximum value of Raman shift characteristic of the 518 cm−1 silicon peak at which elasticity still remains has been found to be 8 cm−1 which corresponds to an applied deformation of 4 GPa. We report three-dimensional maps of the distribution of internal stresses at different levels of deformation up to irreversible changes and brittle fracture of the samples that clearly show compression and tension areas and an undeformed area. A qualitative explanation of the increase in the strength of the cantilever beam due to its small thickness (2 μm has been provided that agrees with the predictions of real-world physical parameters obtained in SolidWorks software environment with the SimulationXpress module. We have defined the relative strain of the beam surface which was 2% and received a confirmation of changes in the silicon lattice parameter from 0.54307 nm to 0.53195 nm by the BFGS algorithm.

  16. Large single-crystal diamond substrates for ionizing radiation detection

    Energy Technology Data Exchange (ETDEWEB)

    Girolami, Marco; Bellucci, Alessandro; Calvani, Paolo; Trucchi, Daniele M. [Istituto di Struttura della Materia (ISM), Consiglio Nazionale delle Ricerche (CNR), Sede Secondaria di Montelibretti, Monterotondo Stazione, Roma (Italy)


    The need for large active volume detectors for ionizing radiations and particles, with both large area and thickness, is becoming more and more compelling in a wide range of applications, spanning from X-ray dosimetry to neutron spectroscopy. Recently, 8.0 x 8.0 mm{sup 2} wide and 1.2 mm thick single-crystal diamond plates have been put on the market, representing a first step to the fabrication of large area monolithic diamond detectors with optimized charge transport properties, obtainable up to now only with smaller samples. The more-than-double thickness, if compared to standard plates (typically 500 μm thick), demonstrated to be effective in improving the detector response to highly penetrating ionizing radiations, such as γ-rays. Here we report on the first measurements performed on large active volume single-crystal diamond plates, both in the dark and under irradiation with optical wavelengths (190-1100 nm), X-rays, and radioactive γ-emitting sources ({sup 57}Co and {sup 22}Na). (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Ultrafast dynamic response of single crystal β-HMX (United States)

    Zaug, Joseph M.; Armstrong, Michael R.; Crowhurst, Jonathan C.; Radousky, Harry B.; Ferranti, Louis; Swan, Raymond; Gross, Rick; Teslich, Nick E.; Wall, Mark A.; Austin, Ryan A.; Fried, Laurence E.


    We report results from ultrafast compression experiments conducted on β-HMX single crystals. Results consist of nominally 12 picosecond time-resolved wave profile data, (ultrafast time domain interferometry -TDI measurements), that were analyzed to determine high-velocity wave speeds as a function of piston velocity. TDI results are used to validate calculations of anisotropic stress-strain behavior of shocked loaded energetic materials. Our previous results derived using a 350 ps duration compression drive revealed anisotropic elastic wave response in single crystal β-HMX from (110) and (010) impact planes. Here we present results using a 1.05 ns duration compression drive with a 950 ps interferometry window to extend knowledge of the anisotropic dynamic response of β-HMX within eight microns of the initial impact plane. We observe two distinct wave profiles from (010) and three wave profiles from (010) impact planes. The (110) impact plane wave speeds typically exceed (010) impact plane wave speeds at the same piston velocities. The development of multiple hydrodynamic wave profiles begins at 20 GPa for the (110) impact plane and 28 GPa for the (10) impact plane. We compare our ultrafast TDI results with previous gun and plate impact results on β-HMX and PBX9501.

  18. 2D lattice formation by YAG:Nd laser on the surface of Ge single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Medvid, A. [Riga Technical University, Laboratory of Semiconductor Physics, LV-1048, 14 Azenes Str. (Latvia)]. E-mail:; Fukuda, Y. [Research Institute of Electronics, Shizuoka University, 3-5-1 Johoku, Hamamatsu 432-8011 (Japan); Michko, A. [Riga Technical University, Laboratory of Semiconductor Physics, LV-1048, 14 Azenes Str. (Latvia); Onufrievs, P. [Riga Technical University, Laboratory of Semiconductor Physics, LV-1048, 14 Azenes Str. (Latvia); Anma, Y. [Research Institute of Electronics, Shizuoka University, 3-5-1 Johoku, Hamamatsu 432-8011 (Japan)


    Experimentally observed self-organization of a 2D lattice on the surface of Ge single crystal after irradiation by pulsed YAG:Nd laser is reported. The 2D lattice consists of nano-size elevations arranged in a pattern of C{sub 6i} point group symmetry and is characterized by translational symmetry with the period of 1 {mu}m. Calculations of time depended distribution of temperature in the bulk of the Ge sample are presented to explain the phenomenon. The calculations show that overheating of the crystal lattice occurs at laser radiation intensities exceeding 30 MW/cm{sup 2}. According to synergetic ideas, the presence of the non-equilibrium liquid phase of Ge and huge gradient of temperature ({approx}3 x 10{sup 8} K/m) can lead to self-organization of the 2D lattice similar to Bernar's cells.

  19. Floating zone growth and characterization of Ca 2Fe 2O 5 single crystals (United States)

    Maljuk, A.; Strempfer, J.; Lin, C. T.


    We report the growth of inclusion and sub-grain free Ca 2Fe 2O 5 (CFO) single crystals by the floating zone method. Single crystals were successfully obtained with volumes of up to 1.0 cm 3. The X-ray rocking curve of the CFO single crystal has the full-width at half-maximum (FWHM) of 0.065°. The oxygen content in the as-grown CFO single crystal was measured by the thermo-gravimetric (TG) method in Ar/H 2 flow. Two magnetic transitions at T1≈140 K and T2≈60 K were observed in the CFO crystal.

  20. Structural, thermal, optical and nonlinear optical properties of ethylenediaminium picrate single crystals (United States)

    Indumathi, C.; T. C., Sabari Girisun; Anitha, K.; Alfred Cecil Raj, S.


    A new organic optical limiting material, ethylenediaminium picrate (EDAPA) was synthesized through acid base reaction and grown as single crystals by solvent evaporation method. Single crystal XRD analysis showed that EDAPA crystallizes in orthorhombic system with Cmca as space group. The formation of charge transfer complex during the reaction of ethylenediamine and picric acid was strongly evident through the recorded Fourier Transform Infra Red (FTIR), Raman and Nuclear Magnetic Resonance (NMR) spectrum. Thermal (TG-DTA and DSC) curves indicated that the material possesses high thermal stability with decomposition temperature at 243 °C. Optical (UV-Visible-NIR) analysis showed that the grown crystal was found to be transparent in the entire visible and NIR region. Z-scan studies with intense short pulse (532 nm, 5 ns, 100 μJ) excitations, revealed that EDAPA exhibited two photon absorption behaviour and the nonlinear absorption coefficient was found to be two orders of magnitude higher than some of the known optical limiter like Cu nano glasses. EDAPA exhibited a strong optical limiting action with low limiting threshold which make them a potential candidate for eye and photosensitive component protection against intense short pulse lasers.

  1. Single waveguide silicon-organic hybrid modulator (United States)

    Hoppe, Niklas; Rothe, Christian; Celik, Arda; Félix Rosa, María; Vogel, Wolfgang; Widmann, Daniel; Rathgeber, Lotte; Ruiz Delgado, M. Carmen; Villacampa, Belén; Ludwigs, Sabine; Berroth, Manfred


    We present a novel silicon-organic hybrid modulator based on an integrated dual-mode interferometer. The modulator offers a compact, simplified design and enhanced robustness to on-chip fluctuations of temperature compared to conventional Mach-Zehnder based systems. A prototype modulator showing a voltage dependent transmission spectrum is obtained by cladding a dual-mode waveguide in a 250 nm silicon-on-insulator technology with a customized organic electro-optic layer. Estimated phase shifts and corresponding figures of merit are discussed in this contribution. The used organic layer is based on the guest-host approach with customized donor-π-acceptor chromophore embedded and poled in a poly(methylmethacrylate) matrix. The presented prototype is to the best of the authors' knowledge the first integrated single waveguide silicon-organic hybrid modulator.

  2. Single waveguide silicon-organic hybrid modulator

    Directory of Open Access Journals (Sweden)

    N. Hoppe


    Full Text Available We present a novel silicon-organic hybrid modulator based on an integrated dual-mode interferometer. The modulator offers a compact, simplified design and enhanced robustness to on-chip fluctuations of temperature compared to conventional Mach-Zehnder based systems. A prototype modulator showing a voltage dependent transmission spectrum is obtained by cladding a dual-mode waveguide in a 250 nm silicon-on-insulator technology with a customized organic electro-optic layer. Estimated phase shifts and corresponding figures of merit are discussed in this contribution. The used organic layer is based on the guest-host approach with customized donor-π-acceptor chromophore embedded and poled in a poly(methylmethacrylate matrix. The presented prototype is to the best of the authors' knowledge the first integrated single waveguide silicon-organic hybrid modulator.

  3. Influence of organic cations on the crystal packing of decavanadate ...

    Indian Academy of Sciences (India)


    Influence of organic cations on the crystal packing of decavanadate containing solids. A RAMANAN, PRASUN ROY, T DURAISAMY, SANJEEV SHARMA and P AYYAPPAN. Department of Chemistry, Indian Institute of Technology, New Delhi. 110 016, India. Polyoxometallates form a rich class of inorganic materials which ...

  4. Luminescence Properties of ScPO{sub 4} Single Crystals

    Energy Technology Data Exchange (ETDEWEB)

    Boatner, L.A.; Trukhin, A.N.


    Flux-grown ScPO{sub 4} single crystals exhibit a number of luminescence bands in their x-ray-excited luminescence spectra - including sharp lines arising from rare-earth elements plus a number of broad bands at 5.6 cV, 4.4 eV, and 3 eV. The band at 5.6 eV was attributed to a self-trapped exciton (STE) [l], and it could be excited at 7 eV and higher energies. This luminescence is strongly polarized (P = 70 %) along the optical axes of the crystal and exhibits a kinetic decay time constant that varies from several ns at room temperature to {approximately}10 {micro}s at 60 K and up to {approximately}1 ms at 10 K. It is assumed that the STE is localized on the SC ions. The band at 3 eV can be excited in the range of the ScPO{sub 4} crystal transparency (decay time = 3 to 4 {micro}s.) This band is attributed to a lead impurity that creates different luminescence centers. At high temperatures, the band at 4.4 eV is dominant in the x-ray-excited TSL and afterglow spectra. Its intensity increases with irradiation time beginning at zero at the initial irradiation time. The 4.4 eV band does not appear in a fast process under a pulsed electron beam, showing that accumulation is necessary for its observation. A sample of ScPO{sub 4} doped with vanadium exhibited a prevalent band at 4.4 eV at T = 480 K.

  5. Magnetic anisotropy in clinopyroxene and orthopyroxene single crystals (United States)

    Biedermann, Andrea R.; Pettke, Thomas; Bender Koch, Christian; Hirt, Ann M.


    Pyroxenes constitute an important component in mafic igneous and metamorphic rocks. They often possess a prismatic habit, and their long axis, the crystallographic c axis, helps define a lineation in a textured rock. Anisotropy of magnetic susceptibility (AMS) serves as a fabric indicator in igneous and metamorphic rocks. If a rock's AMS is carried by pyroxenes, it can be related to their crystallographic preferred orientation and degree of alignment. This requires knowing the intrinsic AMS of pyroxene single crystals. This study provides a comprehensive low-field and high-field AMS investigation of chemically diverse orthopyroxene and clinopyroxene crystals in relation to crystal structure, chemical composition, oxidation state of Fe, and the possible presence of ferromagnetic inclusions. The paramagnetic anisotropy, extracted from high-field data, shows clear relationships to crystallographic directions and Fe concentration both in clinopyroxene and orthopyroxene. In the diopside-augite series, the intermediate susceptibility is parallel to b, and the maximum is at 45° to the c axis. In aegirine, the intermediate axis remains parallel to b, while the maximum susceptibility is parallel to c. The AMS of spodumene depends on Fe concentration. In enstatite, the maximum susceptibility aligns with c and the minimum with b, and in the case of hypersthene, the maximum susceptibility is normal to the exsolution lamellae. Magnetite inclusions within augite possess a ferromagnetic anisotropy with consistent orientation of the principal susceptibilities, which dominates the low-field anisotropy. These results provide better understanding of magnetic anisotropy in pyroxenes and form a solid basis for interpretation of magnetic fabrics in pyroxene-bearing rocks.

  6. Growth and characterization of nonlinear optical single crystal: Nicotinic L-tartaric

    Energy Technology Data Exchange (ETDEWEB)

    Sheelarani, V.; Shanthi, J., E-mail: [Department of Physics, Avinashilingam Institute for Home Science and Higher Education for Women, Coimbatore-641043 (India)


    Nonlinear optical single crystals were grown from Nicotinic and L-Tartaric acid by slow evaporation technique at room temperature. Structure of the grown crystal was confirmed by single crystal X-ray diffraction studies, The crystallinity of the Nicotinic L-Tartaric (NLT) crystals was confirmed from the powder XRD pattern. The transparent range and cut off wavelength of the grown crystal was studied by the UV–Vis spectroscopic analysis.The thermal stability of the crystal was studied by TG-DTA. The second harmonic generation (SHG) efficiency of NLT was confirmed by Kurtz Perry technique.

  7. Growth and characterization of pure and doped bis(thiourea) cadmium acetate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Selvakumar, S. [Department of Physics, Sathyabama University, Chennai 600119 (India); Kumar, S.M. Ravi [Department of Physics, Loyola College, Chennai 600034 (India); Joseph, Ginson P. [Department of Physics, Loyola College, Chennai 600034 (India); Rajarajan, K. [Department of Physics, Loyola College, Chennai 600034 (India); Madhavan, J. [Department of Physics, Loyola College, Chennai 600034 (India); Rajasekar, S.A. [Department of Physics, Vellore Institute of Technology, Vellore 632014 (India); Sagayaraj, P. [Department of Physics, Loyola College, Chennai 600034 (India)]. E-mail:


    Single crystals of pure and Zn{sup 2+} doped bis(thiourea) cadmium acetate (BTCA) were grown by slow solvent evaporation technique. The grown crystals were confirmed by single crystal XRD. The metal coordination with thiourea through sulphur in both pure and doped BTCA was ascertained by FTIR studies. The optical transmission spectra of pure and doped BTCA crystals were recorded and the results are discussed. The thermal decomposition of pure and doped BTCA crystals was investigated by means of thermogravimetric analysis (TGA). The dielectric response and photoconducting nature of the crystals were also investigated and reported.

  8. Solidification microstructures in single-crystal stainless steel melt pools

    Energy Technology Data Exchange (ETDEWEB)

    Sipf, J.B.; Boatner, L.A.; David, S.A.


    Development of microstructure of stationary melt pools of oriented stainless steel single crystals (70%Fe-15%Ni-15%Cr was analyzed. Stationary melt pools were formed by electron-beam and gas-tungsten-arc heating on (001), (011), and (111) oriented planes of the austenitic, fcc-alloy crystals. Characterization and analysis of resulting microstructure was carried out for each crystallographic plane and welding method. Results showed that crystallography which favors ``easy growth`` along the <100> family of directions is a controlling factor in the microstructural formation along with the melt-pool shape. The microstructure was found to depend on the melting method, since each method forms a unique melt-pool shape. These results are used in making a three-dimensional reconstruction of the microstructure for each plane and melting method employed. This investigation also suggests avenues for future research into the microstructural properties of electron-beam welds as well as providing an experimental basis for mathematical models for the prediction of solidification microstructures.

  9. Ultrathin aluminum sample cans for single crystal inelastic neutron scattering. (United States)

    Stone, M B; Loguillo, M J; Abernathy, D L


    Single crystal inelastic neutron scattering measurements are often performed using a sample environment for controlling sample temperature. One difficulty associated with this is establishing appropriate thermal coupling from the sample to the temperature controlled portion of the sample environment. This is usually accomplished via a sample can which thermally couples the sample environment to the sample can and the sample can to the sample via an exchange gas. Unfortunately, this can will contribute additional background signal to one's measurement. We present here the design of an ultrathin aluminum sample can based upon established technology for producing aluminum beverage cans. This design minimizes parasitic sample can scattering. Neutron scattering measurements comparing a machined sample can to our beverage can design clearly indicate a large reduction in scattering intensity and texture when using the ultrathin sample can design. We also examine the possibility of using standard commercial beverage cans as sample cans.

  10. Phonon interactions with methyl radicals in single crystals

    Directory of Open Access Journals (Sweden)

    James W. Wells


    Full Text Available The high temperature ESR spectra’s anomalous appearance at very low temperatures for the methyl radical created in single crystals is explained by magnetic dipole interactions with neighboring protons. These protons acting via phonon vibrations induce resonant oscillations with the methyl group to establish a very temperature sensitive ‘‘relaxation’’ mode that allows the higher energy ‘‘E’’ state electrons with spin 12 to ‘‘decay’’ into ‘‘A’’ spin 12 states. Because of the amplitude amplification with temperature, the ‘‘E’’ state population is depleted and the ‘‘A’’ state population augmented to produce the high temperature ESR spectrum. This phenomenon is found to be valid for all but the very highest barriers to methyl group tunneling. In support, a time dependent spin population study shows this temperature evolution in the state populations under this perturbation.

  11. A neutron sensor based on synthetic single crystal diamond

    Energy Technology Data Exchange (ETDEWEB)

    Schmid, G J; Koch, J A; Lerche, R A; Moran, M J


    We report the first neutron data for a single crystal Chemical Vapor Deposition (CVD) diamond sensor. Results are presented for 2.5, 14.1, and 14.9 MeV incident neutrons. We show that the energy resolution for 14.1 MeV neutrons is at least 2.9% (as limited by the energy spread of the incident neutrons), and perhaps as good as 0.4% (as extrapolated from high resolution {alpha} particle data). This result could be relevant to fusion neutron spectroscopy at machines like the International Thermonuclear Experimental Reactor (ITER). We also show that our sensor has a high neutron linear attenuation coefficient, due to the high atomic density of diamond, and this could lead to applications in fission neutron detection.

  12. Optical studies of neutron-irradiated lithium hydride single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Oparin, D.V.; Pilipenko, G.I.; Tyutyunnik, O.I.; Gavrilov, F.F.; Sulimov, E.M. (Ural' skij Politekhnicheskij Inst., Sverdlovsk (USSR))


    Lithium hydride single crystals irradiated with neutrons were studied by the optical method. Wide bands belonging to the large F-aggregate and quasimetallic F-centres and to the metallic lithium colloids were discovered in the absorption spectra at room temperature. The small Fsub(n)-centres and molecular lithium centres were detected at 77 K. From the electron-vibrational structure of the absorption spectra of these centres the energies of acoustic phonons in X, W, L points of the Brillouin zone of lithium hydride have been found out: TA(L)-235 cm/sup -1/, TA(X)-27g cm/sup -1/, TA(W)-327 cm/sup -1/, LA(W)-384 cm/sup -1/, LA(X)-426 cm/sup -1/.

  13. Anisotropic large magnetoresistance in TaTe4 single crystals (United States)

    Gao, Yuxia; Xu, Longmeng; Qiu, Yang; Tian, Zhaoming; Yuan, Songliu; Wang, Junfeng


    Strong anisotropic magnetotransport is reported in high-quality TaTe4 single crystals synthesized by flux methods. Large positive magnetoresistance (MR) and field-induced metal-semiconductor-like transition are observed at low temperatures with B perpendicular to c axis. The MR value reaches 3200% in 9 T at 2 K with B parallel to a axis, contrast to 79% for B along c axis. Angle dependent magnetoresistance with B rotated within ab plane displays eightfold symmetry and pronounced Shubnikov-de Haas (SdH) oscillations at low temperatures. The analysis of angle dependent resistivity, Hall effect and observed SdH oscillations suggest the high mobile electron and anisotropic Fermi surface responsible for the large anisotropic MR in TaTe4.

  14. Photoinduced surface voltage mapping study for large perovskite single crystals (United States)

    Liu, Xiaojing; Liu, Yucheng; Gao, Fei; Yang, Zhou; Liu, Shengzhong Frank


    Using a series of illumination sources, including white light (tungsten-halogen lamp), 445-nm, 532-nm, 635-nm, and 730-nm lasers, the surface photovoltage (SPV) images were mapped for centimeter-sized CH3NH3PbX3 (X = Cl, Br, I) perovskite single crystals using Kelvin probe force microscopy. The significant SPV signals were observed to be wavelength-dependent. We attribute the appreciable SPV to the built-in electric field in the space charge region. This study shines light into the understanding of photoinduced charge generation and separation processes at nanoscale to help advance the development of perovskite solar cells, optoelectronics, laser, photodetector, and light-emitting diode (LED).

  15. Negative magnetoresistance in YBCO single crystals: Spin fluctuations?

    Energy Technology Data Exchange (ETDEWEB)

    Overend, N.; Lawrie, I.D.; Howson, M.A. [Leeds Univ. (United Kingdom)


    The authors present results for the magnetoresistance in a number of single crystals of YBCO. They all have Tc in the vicinity of 93K with transitions widths of around 0.5K. Between 93K and 100K the positive magnetoresistance due to superconducting fluctuations is present and the authors are able to fit the data to theory yielding values of the coherence length in the {open_quote}c{close_quote} axis of around 0.2nm. However, above 100K a negative contribution to the resistivity appears. Above about 115K the magnetoresistance is dominated by this negative contribution. The negative contribution is proportional to the field and its magnitude is consistent with a spin fluctuation contribution to the magnetoresistance. The magnitude of the effect increases as the temperature is reduced until it peaks at around 100K.

  16. Platinum single crystal electrodes for the electrocatalysis of methane oxidation

    Directory of Open Access Journals (Sweden)

    Mayara Munaretto


    Full Text Available The main objective of this paper is to characterize the voltammetric profiles of platinum single crystals of low Miller indexes Pt(100 and Pt(110 and study their catalytic activities on the oxidation of methane. In this way, it was developed a metallic surface modified by presence of other metal oxide, which presents catalytic activity for this reaction. It is well known that the electrooxidation of methane (CH4 leads mainly to the formation of CO2 and H2O, however, the oxidation can also lead to the formation of CO, a reaction intermediate that has strong interaction with metal surfaces, such as platinum. This molecule tends to accumulate on the platinum surface and to passive it, due to the self-poisoning, decreasing its catalytic activity. Therefore, the main aim of this work was the development of a platinum electrode modified by deposition of titanium oxide, which presented electrocatalytic properties for the oxidation of methane.

  17. Growth of single-crystal YAG fiber optics. (United States)

    Nie, Craig D; Bera, Subhabrata; Harrington, James A


    Single-crystal YAG (Y3Al5O12) fibers have been grown by the laser heated pedestal growth technique with losses as low as 0.3 dB/m at 1.06 μm. These YAG fibers are as long as about 60 cm with diameters around 330 μm. The early fibers were grown from unoriented YAG seed fibers and these fibers exhibited facet steps or ridges on the surface of the fiber. However, recently we have grown fibers using an oriented seed to grow step-free fibers. Scattering losses made on the fibers indicate that the scattering losses are equal to about 30% of the total loss.

  18. Simulation of V/G During Φ450 mm Czochralski Grown Silicon Single Crystal Growth Under the Different Crystal and Crucible Rotation Rates

    National Research Council Canada - National Science Library

    Guan X J; Zhang X Y


    ... of Φ450 mm Czochralski grown silicon single crystal (shortly called Cz silicon crystal), the effects of crystal rotation rate and crucible one on the V/G ratio were simulated by using CGSim software...

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

    Energy Technology Data Exchange (ETDEWEB)

    Chauhan, Sanjaysinh M.; Chaki, Sunil, E-mail:; 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)


    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.

  20. Single crystal growth and enhancing effect of glycine on characteristic properties of bis-thiourea zinc acetate crystal (United States)

    Anis, Mohd; Muley, G. G.


    A single crystal of glycine-doped bis-thiourea zinc acetate (G-BTZA) with a dimension of 15 × 6 × 4 mm3 has been grown using the slow solution evaporation technique. The structural parameters of the crystals were determined using the single crystal XRD technique. The increase in optical transparency of the doped BTZA crystal was ascertained in the range of 200 to 900 nm using UV-visible spectral analysis. The improved optical band gap of the G-BTZA crystal is found to be 4.19 eV, and vital optical constants have been calculated using the transmittance data. The influence of glycine on the mechanical parameters of the BTZA crystal has been investigated via microhardness studies. The thermal stability of pure and doped BTZA crystals has been determined by employing the thermogravimetric and differential thermal analysis technique. The improvement in the dielectric properties of the BTZA crystal after the addition of glycine has been evaluated in a temperature range of 30 to 120 °C at a frequency of 100 KHz. The SHG efficiency of the glycine-doped BTZA crystal is found to be much higher than KDP and BTZA crystal material in a Kurtz-Perry powder analysis.

  1. Wafer-scale single-crystal perovskite patterned thin films based on geometrically-confined lateral crystal growth (United States)

    Lee, Lynn; Baek, Jangmi; Park, Kyung Sun; Lee, Yong-Eunkoo; Shrestha, Nabeen K.; Sung, Myung M.


    We report a facile roll-printing method, geometrically confined lateral crystal growth, for the fabrication of large-scale, single-crystal CH3NH3PbI3 perovskite thin films. Geometrically confined lateral crystal growth is based on transfer of a perovskite ink solution via a patterned rolling mould to a heated substrate, where the solution crystallizes instantly with the immediate evaporation of the solvent. The striking feature of this method is that the instant crystallization of the feeding solution under geometrical confinement leads to the unidirectional lateral growth of single-crystal perovskites. Here, we fabricated single-crystal perovskites in the form of a patterned thin film (3 × 3 inch) with a high carrier mobility of 45.64 cm2 V-1 s-1. We also used these single-crystal perovskite thin films to construct solar cells with a lateral configuration. Their active-area power conversion efficiency shows a highest value of 4.83%, which exceeds the literature efficiency values of lateral perovskite solar cells.

  2. Wafer-scale single-crystal perovskite patterned thin films based on geometrically-confined lateral crystal growth (United States)

    Lee, Lynn; Baek, Jangmi; Park, Kyung Sun; Lee, Yong-EunKoo; Shrestha, Nabeen K.; Sung, Myung M.


    We report a facile roll-printing method, geometrically confined lateral crystal growth, for the fabrication of large-scale, single-crystal CH3NH3PbI3 perovskite thin films. Geometrically confined lateral crystal growth is based on transfer of a perovskite ink solution via a patterned rolling mould to a heated substrate, where the solution crystallizes instantly with the immediate evaporation of the solvent. The striking feature of this method is that the instant crystallization of the feeding solution under geometrical confinement leads to the unidirectional lateral growth of single-crystal perovskites. Here, we fabricated single-crystal perovskites in the form of a patterned thin film (3 × 3 inch) with a high carrier mobility of 45.64 cm2 V−1 s−1. We also used these single-crystal perovskite thin films to construct solar cells with a lateral configuration. Their active-area power conversion efficiency shows a highest value of 4.83%, which exceeds the literature efficiency values of lateral perovskite solar cells. PMID:28691697

  3. Sample Size Induced Brittle-to-Ductile Transition of Single-Crystal Aluminum Nitride (United States)


    Interestingly, the dislocation plasticity of the single- crystal AlN strongly depends on specimen sizes. As shown in Fig. 5a and b, the large plastic...ARL-RP-0528 ● AUG 2015 US Army Research Laboratory Sample Size Induced Brittle-to-Ductile Transition of Single- Crystal Aluminum...originator. ARL-RP-0528 ● AUG 2015 US Army Research Laboratory Sample Size Induced Brittle-to-Ductile Transition of Single- Crystal

  4. Cryogenic Clamp-on Ultrasonic Flowmeters using Single Crystal Piezoelectric Transducers Project (United States)

    National Aeronautics and Space Administration — Clamp-on ultrasound cryogenic flowmeters using single crystal piezoelectric transducers are proposed to enable reliable, accurate cryogenic instrumentation needs in...

  5. Advanced Electroactive Single Crystal and Polymer Actuator Concepts for Passive Optics Project (United States)

    National Aeronautics and Space Administration — TRS Technologies proposes large stroke and high precision piezoelectric single crystal and electroactive polymer actuator concepts?HYBrid Actuation System (HYBAS)...

  6. Detailed Investigation of the Structural, Thermal, and Electronic Properties of Gold Isocyanide Complexes with Mechano-Triggered Single-Crystal-to-Single-Crystal Phase Transitions. (United States)

    Seki, Tomohiro; Sakurada, Kenta; Muromoto, Mai; Seki, Shu; Ito, Hajime


    Mechano-induced phase transitions in organic crystalline materials, which can alter their properties, have received much attention. However, most mechano-responsive molecular crystals exhibit crystal-to-amorphous phase transitions, and the intermolecular interaction patterns in the daughter phase are difficult to characterize. We have investigated phenyl(phenylisocyanide)gold(I) (1) and phenyl(3,5-dimethylphenylisocyanide)gold(I) (2) complexes, which exhibit a mechano-triggered single-crystal-to-single-crystal phase transition. Previous reports of complexes 1 and 2 have focused on the relationships between the crystalline structures and photoluminescence properties; in this work we have focused on other aspects. The face index measurements of complexes 1 and 2 before and after the mechano-induced phase transitions have indicated that they undergo non-epitaxial phase transitions without a rigorous orientational relationship between the mother and daughter phases. Differential scanning calorimetry analyses revealed the phase transition of complex 1 to be enthalpically driven by the formation of new aurophilic interactions. In contrast, the phase transition of complex 2 was found to be entropically driven, with the closure of an empty void in the mother phase. Scanning electron microscopy observation showed that the degree of the charging effect of both complexes 1 and 2 was changed by the phase transitions, which suggests that the formation of the aurophilic interactions affords more effective conductive pathways. Moreover, flash-photolysis time-resolved microwave conductivity measurements revealed that complex 1 increased in conductivity after the phase change, whereas the conductivity of complex 2 decreased. These contrasting results were explained by the different patterns in the aurophilic interactions. Finally, an intriguing disappearing polymorphism of complex 2 has been reported, in which a polymorph form could not be obtained again after some period of time

  7. Enhanced Catalysis Activity in a Coordinatively Unsaturated Cobalt-MOF Generated via Single-Crystal-to-Single-Crystal Dehydration. (United States)

    Ren, Hai-Yun; Yao, Ru-Xin; Zhang, Xian-Ming


    Hydrothermal reaction of Co(NO3)2 and terphenyl-3,2",5",3'-tetracarboxyate (H4tpta) generated Co3(OH)2 chains based 3D coordination framework Co3(OH)2(tpta)(H2O)4 (1) that suffered from single-crystal-to-single-crystal dehydration by heating at 160 °C and was transformed into dehydrated Co3(OH)2(tpta) (1a). During the dehydration course, the local coordination environment of part of the Co atoms was transformed from saturated octahedron to coordinatively unsaturated tetrahedron. Heterogenous catalytic experiments on allylic oxidation of cyclohexene show that dehydrated 1a has 6 times enhanced catalytic activity than as-synthesized 1 by using tert-butyl hydroperoxide (t-BuOOH) as oxidant. The activation energy for the oxidation of cylcohexene with 1a catalyst was 67.3 kJ/mol, far below the value with 1 catalysts, which clearly suggested that coordinatively unsaturated Co(II) sites in 1a have played a significant role in decreasing the activation energy. It is interestingly found that heterogeneous catalytic oxidation of cyclohexene in 1a not only gives the higher conversion of 73.6% but also shows very high selectivity toward 2-cyclohexene-1-one (ca. 64.9%), as evidenced in high turnover numbers (ca. 161) based on the open Co(II) sites of 1a catalyst. Further experiments with a radical trap indicate a radical chain mechanism. This work demonstrates that creativity of coordinatively unsaturated metal sites in MOFs could significantly enhance heterogeneous catalytic activity and selectivity.

  8. Crystal morphology variation in inkjet-printed organic materials (United States)

    Ihnen, Andrew C.; Petrock, Anne M.; Chou, Tsengming; Samuels, Phillip J.; Fuchs, Brian E.; Lee, Woo Y.


    The recent commercialization of piezoelectric-based drop-on-demand inkjet printers provides an additive processing platform for producing and micropatterning organic crystal structures. We report an inkjet printing approach where macro- and nano-scale energetic composites composed of cyclotrimethylenetrinitramine (RDX) crystals dispersed in a cellulose acetate butyrate (CAB) matrix are produced by direct phase transformation from organic solvent-based all-liquid inks. The characterization of printed composites illustrates distinct morphological changes dependent on ink deposition parameters. When 10 pL ink droplets rapidly formed a liquid pool, a coffee ring structure containing dendritic RDX crystals was produced. By increasing the substrate temperature, and consequently the evaporation rate of the pooled ink, the coffee ring structure was mitigated and shorter dendrites from up to ∼1 to 0.2 mm with closer arm spacing from ∼15 to 1 μm were produced. When the nucleation and growth of RDX and CAB were confined within the evaporating droplets, a granular structure containing nanoscale RDX crystals was produced. The results suggest that evaporation rate and microfluidic droplet confinement can effectively be used to tailor the morphology of inkjet-printed energetic composites.

  9. Fabrication of Single Crystal MgO Capsules (United States)

    Danielson, Lisa


    A method has been developed for machining MgO crystal blocks into forms for containing metallic and silicate liquids at temperatures up to 2,400 C, and pressures up to at least 320 kilobars. Possible custom shapes include tubes, rods, insulators, capsules, and guides. Key differences in this innovative method include drilling along the crystallographic zone axes, use of a vibration minimizing material to secure the workpiece, and constant flushing of material swarf with a cooling medium/lubricant (water). A single crystal MgO block is cut into a section .5 mm thick, 1 cm on a side, using a low-speed saw with a 0.004 blade. The cut is made parallel to the direction of cleavage. The block may be cut to any thickness to achieve the desired length of the piece. To minimize drilling vibrations, the MgO block is mounted on a piece of adhesive putty in a vise. The putty wad cradles the bottom half of the entire block. Diamond coring tools are used to drill the MgO to the desired custom shape, with water used to wet and wash the surface of swarf. Compressed air may also be used to remove swarf during breaks in drilling. The MgO workpiece must be kept cool at all times with water. After all the swarf is rinsed off, the piece is left to dry overnight. If the workpiece is still attached to the base of the MgO block after drilling, it may be cut off by using a diamond cutoff wheel on a rotary hand tool or by using a low-speed saw.

  10. Single-crystal elastic constants of natural ettringite

    KAUST Repository

    Speziale, Sergio


    The single-crystal elastic constants of natural ettringite were determined by Brillouin spectroscopy at ambient conditions. The six non-zero elastic constants of this trigonal mineral are: C11 = 35.1 ± 0.1 GPa, C12 = 21.9 ±0.1 GPa, C13 = 20.0 ± 0.5 GPa, C14 = 0.6 ± 0.2 GPa, C33 = 55 ± 1 GPa, C44 = 11.0 ± 0.2 GPa. The Hill average of the aggregate bulk, shear modulus and the polycrystal Young\\'s modulus and Poisson\\'s ratio are 27.3 ± 0.9 GPa, 9.5 ± 0.8 GPa, 25 ± 2 GPa and 0.34 ± 0.02 respectively. The longitudinal and shear elastic anisotropy are C33/C11 = 0.64 ± 0.01 and C66/C44 =0.60 ± 0.01. The elastic anisotropy in ettringite is connected to its crystallographic structure. Stiff chains of [Al(OH)6]3- octahedra alternating with triplets of Ca2+ in eight-fold coordination run parallel to the c-axis leading to higher stiffness along this direction. The determination of the elastic stiffness tensor can help in the prediction of the early age properties of cement paste when ettringite crystals precipitate and in the modeling of both internal and external sulfate attack when secondary ettringite formation leads to expansion of concrete. © 2008 Elsevier Ltd. All rights reserved.

  11. Synthesis and Single Crystal X-Ray Crystallographic Analysis of 2 ...

    African Journals Online (AJOL)

    dihydropyrimidin-1-ium) tetrachlorocobaltate(II) [H2pymo]2[CoCl4]. The compound was re-crystallized in diethyl ether to obtain a suitable single crystal for X-ray diffraction analysis which revealed a molecule crystallizes in the orthorhombic ...

  12. Investigations on the optical, thermal and surface modifications of electron irradiated L-threonine single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Ramesh Kumar, G.; Gokul Raj, S. [Department of Physics, Presidency College, Chepauk, Chennai 600005 (India); Bogle, K.A.; Dhole, S.D.; Bhoraskar, V.N. [Department of Physics, University of Pune, Pune 411007 (India); Mohan, R. [Department of Physics, Presidency College, Chepauk, Chennai 600005 (India)], E-mail:


    L-Threonine single crystals have been irradiated by 6 MeV electrons. Irradiated crystals at various electron fluences were subjected to various techniques such as UV-vis-NIR, atomic force microscopy (AFM) and thermomechanical analyses. Thermal strength of the irradiated crystals has also been studied through differential scanning calorimetry (DSC) measurements. The results have been discussed in detail.

  13. Synthesis and ultrastructure of plate-like apatite single crystals as a model for tooth enamel

    Energy Technology Data Exchange (ETDEWEB)

    Zhuang, Zhi, E-mail: [Department of Applied Chemistry, School of Science and Technology, Meiji University, 1-1-1 Higashimita, Tama-ku, Kawasaki, Kanagawa 214-8571 (Japan); Yoshimura, Hideyuki, E-mail: [Department of Physics, School of Science and Technology, Meiji University, 1-1-1 Higashimita, Tama-ku, Kawasaki, Kanagawa 214-8571 (Japan); Aizawa, Mamoru, E-mail: [Department of Applied Chemistry, School of Science and Technology, Meiji University, 1-1-1 Higashimita, Tama-ku, Kawasaki, Kanagawa 214-8571 (Japan)


    Hydroxyapatite (HAp) is an inorganic constituent compound of human bones and teeth, with superior biocompatibility and bioactivity characteristics. Its crystal structure is hexagonal, characterized by a(b)- and c-planes. In vertebrate long bones, HAp crystals have a c-axis orientation, while in tooth enamel, they have an a(b)-axis orientation. Many methods can be used to synthesize c-axis oriented HAp single crystals; however, to the best of our knowledge, there have been no reports on a synthesis method for a(b)-axis oriented HAp single crystals. In this study, we successfully synthesized plate-like HAp crystals at the air–liquid interface of a starting solution via an enzyme reaction of urea with urease. Crystal phase analysis and ultrastructure observations were carried out, and the results indicated that the particles were single crystals, with almost the same a(b)-axis orientation as tooth enamel. It is hoped that by utilizing their unique surface charge and atomic arrangement, the resulting particles can be used as a high-performance biomaterial, capable of adsorbing bio-related substances and a model for tooth enamel. - Highlights: ► Synthesis of plate-like hydroxyapatite crystals at air–liquid interface ► Ultrastructural analysis of plate-like hydroxyapatite crystals ► Plate-like hydroxyapatite single crystals with a high a(b)-axis orientation ► Plate-like hydroxyapatite single crystals as a model for tooth enamel.

  14. Cu(I)-MOF: naked-eye colorimetric sensor for humidity and formaldehyde in single-crystal-to-single-crystal fashion. (United States)

    Yu, Yang; Zhang, Xiao-Meng; Ma, Jian-Ping; Liu, Qi-Kui; Wang, Peng; Dong, Yu-Bin


    A porous Cu(I)-MOF was constructed from CuI and 1-benzimidazolyl-3,5-bis(4-pyridyl)benzene. This Cu(I)-MOF can be a highly sensitive naked-eye colorimetric sensor to successively detect water and formaldehyde species in a single-crystal-to-single-crystal fashion. Solid-state guest-responsive luminescence is also used to monitor the sensing process.

  15. Effect of crystal orientation on conductivity and electron mobility in single-crystal alumina (United States)

    Will, Fritz G.; Delorenzi, Horst G.; Janora, Kevin H.


    The electrical conductivity of high-purity, single-crystal alumina is determined parallel to and perpendicular to the c-axis. The mean conductivity of four samples of each orientation is a factor 3.3 higher parallel to the c-axis than perpendicular to it. The conductivity as a function of temperature is attributed to extrinsic electron conduction at temperatures from 400 to 900 C, and intrinsic semiconduction at temperatures from 900 to 1300 C. In the high-temperature regime, the slope on all eight specimens is 4.7 +/- 0.1 eV. Hence, the thermal bandgap at O K is 9.4 +/- 0.2 eV.

  16. Synthesis of ordered carbonaceous frameworks from organic crystals. (United States)

    Nishihara, Hirotomo; Hirota, Tetsuya; Matsuura, Kenta; Ohwada, Mao; Hoshino, Norihisa; Akutagawa, Tomoyuki; Higuchi, Takeshi; Jinnai, Hiroshi; Koseki, Yoshitaka; Kasai, Hitoshi; Matsuo, Yoshiaki; Maruyama, Jun; Hayasaka, Yuichiro; Konaka, Hisashi; Yamada, Yasuhiro; Yamaguchi, Shingi; Kamiya, Kazuhide; Kamimura, Takuya; Nobukuni, Hirofumi; Tani, Fumito


    Despite recent advances in the carbonization of organic crystalline solids like metal-organic frameworks or supramolecular frameworks, it has been challenging to convert crystalline organic solids into ordered carbonaceous frameworks. Herein, we report a route to attaining such ordered frameworks via the carbonization of an organic crystal of a Ni-containing cyclic porphyrin dimer (Ni2-CPDPy). This dimer comprises two Ni-porphyrins linked by two butadiyne (diacetylene) moieties through phenyl groups. The Ni2-CPDPy crystal is thermally converted into a crystalline covalent-organic framework at 581 K and is further converted into ordered carbonaceous frameworks equipped with electrical conductivity by subsequent carbonization at 873-1073 K. In addition, the porphyrin's Ni-N4 unit is also well retained and embedded in the final framework. The resulting ordered carbonaceous frameworks exhibit an intermediate structure, between organic-based frameworks and carbon materials, with advantageous electrocatalysis. This principle enables the chemical molecular-level structural design of three-dimensional carbonaceous frameworks.Carbon-based materials are promising alternatives to noble metal catalysts, but their structures are typically disordered and difficult to control. Here, the authors obtain ordered carbonaceous frameworks with advantageous electrocatalytic properties via the carbonization of nickel-containing porphyrin dimer networks.

  17. Lattice Dynamics and Intermolecular Forces in Organic Molecular Crystals


    Bougeard, D.


    Recent developments in the theory and the application of determination of intermolecular forces are discussed for the computer simulation of the lattice dynamics of organic molecular crystals. Different atom-atom potentials for carbon, hydrogen, halogens, oxygen and nitrogen are presented. The influences of hydrogen bonds and multipolar forces are illustrated with some examples. Such potentials are applied to glutaric and squaric acid, hexachloroethane, malononitrile and parachlorobenzamide.


    Energy Technology Data Exchange (ETDEWEB)

    A. Wang; G. Pickrell; R. May


    Accurate measurement of temperature is essential for the safe and efficient operation and control of a wide range of industrial processes. Appropriate techniques and instrumentation are needed depending on the temperature measurement requirements in different industrial processes and working environments. Harsh environments are common in many industrial applications. These harsh environments may involve extreme physical conditions, such as high-temperature, high-pressure, corrosive agents, toxicity, strong electromagnetic interference, and high-energy radiation exposure. Due to these severe environmental conditions, conventional temperature sensors are often difficult to apply. This situation has opened a new but challenging opportunity for the sensor society to provide robust, high-performance, and cost-effective temperature sensors capable of operating in those harsh environments. The focus of this research program has been to develop a temperature measurement system for temperature measurements in the primary and secondary stages of slagging gasifiers. For this application the temperature measurement system must be able to withstand the extremely harsh environment posed by the high temperatures and corrosive agents present in these systems. Real-time, accurate and reliable monitoring of temperature for the coal gasification process is important to realize the full economic potential of these gasification systems. Long life and stability of operation in the high temperature environment is essential for the temperature measurement system to ensure the continuous running of the coal gasification system over the long term. In this high temperature and chemically corrosive environment, rather limited high temperature measurement techniques such as high temperature thermocouples and optical/acoustic pyrometers are available, each with their own limitations. In this research program, five different temperature sensing schemes based on the single crystal sapphire

  19. Growth of BPO4 single crystals from Li2Mo3O10 flux (United States)

    Xu, Guogang; Li, Jing; Han, Shujuan; Guo, Yongjie; Wang, Jiyang


    Transparent single crystal of BPO4 with a typical sizes of 5 × 7 × 9 mm3 have been grown by the top-seeded solution growth (TSSG) slow-cooling method using Li2Mo3O10 as the flux. X-ray powder diffraction result shows that the as-grown crystal was well crystallized and indexed in a tetragonal system. The processing parameters and the effects of the flux on the crystal growth were investigated.

  20. Structure determination from a single high-pressure-frozen virus crystal. (United States)

    Burkhardt, Anja; Wagner, Armin; Warmer, Martin; Reimer, Rudolph; Hohenberg, Heinrich; Ren, Jingshan; Fry, Elizabeth E; Stuart, David I; Meents, Alke


    Successful cryogenic X-ray structure determination from a single high-pressure-frozen bovine enterovirus 2 crystal is reported. The presented high-pressure-freezing procedure is based on a commercially available device and allows the cryocooling of macromolecular crystals directly in their mother liquor without the time- and crystal-consuming search for optimal cryoconditions. The method is generally applicable and will allow cryogenic data collection from all types of macromolecular crystals.

  1. Synthesis, crystal structure, growth, optical and third order nonlinear optical studies of 8HQ2C5N single crystal - An efficient third-order nonlinear optical material

    Energy Technology Data Exchange (ETDEWEB)

    Divya Bharathi, M.; Ahila, G.; Mohana, J. [Department of Physics, Presidency College, Chennai 600005 (India); Chakkaravarthi, G. [Department of Physics, CPCL Polytechnic College, Chennai 600068 (India); Anbalagan, G., E-mail: [Department of Nuclear Physics, University of Madras, Chennai 600025 (India)


    A neoteric organic third order nonlinear optical material 8-hydroxyquinolinium 2-chloro-5-nitrobenzoate dihydrate (8HQ2C5N) was grown by slow cooling technique using ethanol: water (1:1) mixed solvent. The calculated low value of average etch pit solidity (4.12 × 10{sup 3} cm{sup −2}) indicated that the title crystal contain less defects. From the single crystal X-ray diffraction data, it was endowed that 8HQ2C5N crystal belongs to the monoclinic system with centrosymmetric space group P2{sub 1}/c and the cell parameters values, a = 9.6546 (4) Ǻ, b = 7.1637(3) Ǻ, c = 24.3606 (12) Ǻ, α = γ = 90°, β = 92.458(2)° and volume = 1683.29(13) Ǻ{sup 3}. The FT-IR and FT-Raman spectrum were used to affirm the functional group of the title compound. The chemical structure of 8HQ2C5N was scrutinized by {sup 13}C and {sup 1}H NMR spectral analysis and thermal stability through the differential scanning calorimetry study. Using optical studies the lower cut-off wavelength and optical band gap of 8HQ2C5N were found to be 364 nm and 3.17 eV respectively. Using the single oscillator model suggested by Wemple – Didomenico, the oscillator energy (E{sub o}), the dispersion energy (E{sub d}) and static dielectric constant (ε{sub o}) were estimated. The third-order susceptibility were determined as Im χ{sup (3)} = 2.51 × 10{sup −5} esu and Re χ{sup (3)} = 4.46 × 10{sup −7} esu. The theoretical third-order nonlinear optical susceptibility χ{sup (3)} was calculated and the results were compared with experimental value. Photoluminescence spectrum of 8HQ2C5N crystal showed the yellow emission. The crystal had the single shot laser damage threshold of 5.562 GW/cm{sup 2}. Microhardness measurement showed that 8HQ2C5N belongs to a soft material category. - Highlights: • A new organic single crystals were grown and the crystal structure was reported. • Crystal possess, good transmittance, thermal and mechanical stability. • Single shot LDT value is found to be

  2. Synthesis, structure, crystal growth and characterization of a novel semiorganic nonlinear optical L-proline lithium bromide monohydrate single crystal (United States)

    Sathiskumar, S.; Balakrishnan, T.; Ramamurthi, K.; Thamotharan, S.


    L-Proline lithium bromide monohydrate (LPLBM), a promising semiorganic nonlinear optical material, was synthesized and single crystals of LPLBM were grown from solution by slow evaporation technique. Single crystal X-ray structure solution reveals that the grown crystal belongs to monoclinic system with space group P21. Presence of various functional groups was identified by FT-IR and FT-Raman spectral analyses. UV-Vis-NIR spectroscopic study shows that the LPLBM crystal possesses 90% of transmittance in the range of 250-1100 nm. Vickers microhardness values, the dielectric constant and dielectric loss of the LPLBM crystal were reported. Elemental analysis by energy dispersive X-ray analysis shows the presence of carbon, nitrogen, oxygen and bromine. The surface morphology of the crystal was investigated using scanning electron microscopic study. The thermal stability of the LPLBM crystal was studied from TGA and DSC analysis. Second harmonic generation efficiency of the LPLBM crystal measured by Kurtz and Perry powder technique using Nd:YAG laser is about 0.3 times that of urea.

  3. Buckling of Single-Crystal Silicon Nanolines under Indentation

    Directory of Open Access Journals (Sweden)

    Min K. Kang


    Full Text Available Atomic force microscope-(AFM- based indentation tests were performed to examine mechanical properties of parallel single-crystal silicon nanolines (SiNLs of sub-100-nm line width, fabricated by a process combining electron-beam lithography and anisotropic wet etching. The SiNLs have straight and nearly atomically flat sidewalls, and the cross section is almost perfectly rectangular with uniform width and height along the longitudinal direction. The measured load-displacement curves from the indentation tests show an instability with large displacement bursts at a critical load ranging from 480 μN to 700 μN. This phenomenon is attributed to a transition of the buckling mode of the SiNLs under indentation. Using a set of finite element models with postbuckling analyses, we analyze the indentation-induced buckling modes and investigate the effects of tip location, contact friction, and substrate deformation on the critical load of mode transition. The results demonstrate a unique approach for the study of nanomaterials and patterned nanostructures via a combination of experiments and modeling.

  4. Understanding surface structure and chemistry of single crystal lanthanum aluminate

    KAUST Repository

    Pramana, Stevin S.


    The surface crystallography and chemistry of a LaAlO3 single crystal, a material mainly used as a substrate to deposit technologically important thin films (e.g. for superconducting and magnetic devices), was analysed using surface X-ray diffraction and low energy ion scattering spectroscopy. The surface was determined to be terminated by Al-O species, and was significantly different from the idealised bulk structure. Termination reversal was not observed at higher temperature (600 °C) and chamber pressure of 10−10 Torr, but rather an increased Al-O occupancy occurred, which was accompanied by a larger outwards relaxation of Al from the bulk positions. Changing the oxygen pressure to 10−6 Torr enriched the Al site occupancy fraction at the outermost surface from 0.245(10) to 0.325(9). In contrast the LaO, which is located at the next sub-surface atomic layer, showed no chemical enrichment and the structural relaxation was lower than for the top AlO2 layer. Knowledge of the surface structure will aid the understanding of how and which type of interface will be formed when LaAlO3 is used as a substrate as a function of temperature and pressure, and so lead to improved design of device structures.

  5. Ultraviolet Laser-induced ignition of RDX single crystal. (United States)

    Yan, Zhonghua; Zhang, Chuanchao; Liu, Wei; Li, Jinshan; Huang, Ming; Wang, Xuming; Zhou, Guorui; Tan, Bisheng; Yang, Zongwei; Li, Zhijie; Li, Li; Yan, Hongwei; Yuan, Xiaodong; Zu, Xiaotao


    The RDX single crystals are ignited by ultraviolet laser (355 nm, 6.4 ns) pulses. The laser-induced damage morphology consisted of two distinct regions: a core region of layered fracture and a peripheral region of stripped material surrounding the core. As laser fluence increases, the area of the whole crack region increases all the way, while both the area and depth of the core region increase firstly, and then stay stable over the laser fluence of 12 J/cm(2). The experimental details indicate the dynamics during laser ignition process. Plasma fireball of high temperature and pressure occurs firstly, followed by the micro-explosions on the (210) surface, and finally shock waves propagate through the materials to further strip materials outside and yield in-depth cracks in larger surrounding region. The plasma fireball evolves from isotropic to anisotropic under higher laser fluence resulting in the damage expansion only in lateral direction while maintaining the fixed depth. The primary insights into the interaction dynamics between laser and energetic materials can help developing the superior laser ignition technique.

  6. What is the role of rhenium in single crystal superalloys?

    Directory of Open Access Journals (Sweden)

    Mottura Alessandro


    Full Text Available Rhenium plays a critical role in single-crystal superalloys –its addition to first generation alloys improves creep life by a factor of at least two, with further benefits for fatigue performance. Its use in alloys such as PWA1484, CMSX-4 and Rene N5 is now widespread, and many in this community regard Re as the “magic dust”. In this paper, the latest thinking concerning the origins of the “rhenium-effect” is presented. We start by reviewing the hypothesis that rhenium clusters represent barriers to dislocation motion. Recent atom probe tomography experiments have shown that Re may instead form a solid solution with Ni at low concentrations (< 7 at.%. Density functional theory calculations indicate that, in the solid solution, short range ordering of Re may be expected. Finally, Re has been shown to diffuse slowly in the γ-Ni phase. Calculations using a semi-analytical dislocation climb/glide model based upon the work of McLean and Dyson have been used to rationalise the composition-dependence of creep deformation in these materials. All evidence points to two important factors: (i the preferred partitioning of Re to the γ phase, where dislocation activity preferentially occurs during the tertiary creep regime and (ii a retardation effect on dislocation segments at γ/γ′ interfaces, which require non-conservative climb and thus an associated vacancy flux.

  7. Synthesis, single crystal structure and energy optimization of a multicomponent salt of imidazole and tetrabromoterepthalic acid

    Energy Technology Data Exchange (ETDEWEB)

    Singha, S.; Kumar, S., E-mail: [Department of Physics, Jadavpur University, Kolkata-700032 (India); Dey, S. K., E-mail: [Department of Physics, Jadavpur University, Kolkata-700032 (India); Department of Physics, NITMAS, 24 Paragana(S)-743368 (India)


    Single crystal of a multicomponent salt (IMTBTP) of imidazole with tetrabromoterepthalic acid has been synthesized by slow evaporation method at room temperature. The crystal structure of the salt has been determined by single crystal x-ray diffraction technique. The supramolecular structure analysis reveals that the multicomponent salt is formed by noncovalent hydrogen bonding interaction and Br···π interaction. The energy optimization and HOMO-LUMO energy gap calculation have been carried out by Density Functional Theory.

  8. Characterization of Point Defects in Lithium Aluminate (LiAlO2) Single Crystals (United States)


    natural lithium , so enriching lithium aluminate with 6Li during the crystal- growth process will increase the tritium production for a given volume of...CHARACTERIZATION OF POINT DEFECTS IN LITHIUM ALUMINATE (LiAlO2) SINGLE CRYSTALS DISSERTATION Maurio S. Holston, CPT, USA AFIT-ENP-DS-15-S-025...15-S-025 CHARACTERIZATION OF POINT DEFECTS IN LITHIUM ALUMINATE (LiAlO2) SINGLE CRYSTALS DISSERTATION Presented to the Faculty Graduate School of

  9. Synthesis, single crystal structure and energy optimization of a multicomponent salt of imidazole and tetrabromoterepthalic acid (United States)

    Singha, S.; Dey, S. K.; Kumar, S.


    Single crystal of a multicomponent salt (IMTBTP) of imidazole with tetrabromoterepthalic acid has been synthesized by slow evaporation method at room temperature. The crystal structure of the salt has been determined by single crystal x-ray diffraction technique. The supramolecular structure analysis reveals that the multicomponent salt is formed by noncovalent hydrogen bonding interaction and Br...π interaction. The energy optimization and HOMO-LUMO energy gap calculation have been carried out by Density Functional Theory.

  10. Growth rate analysis of gibbsite single crystals growing from aqueous sodium aluminate solutions

    NARCIS (Netherlands)

    Sweegers, C.; Meekes, H.L.M.; Enckevort, W.J.P. van; Hiralal, I.D.K.; Rijkeboer, A.


    In-situ optical microscopy was used to measure the growth rate of gibbsite single crystals growing from aqueous sodium aluminate solutions. The growth rate was measured for various crystal faces, i.e., {100} and {001} faces in case of twinned hexagons and {110} faces for single crystalline lozenges.

  11. A reconstruction strategy to synthesize mesoporous SAPO molecular sieve single crystals with high MTO catalytic activity. (United States)

    Wang, Chan; Yang, Miao; Li, Mingrun; Xu, Shutao; Yang, Yue; Tian, Peng; Liu, Zhongmin


    Mesoporous SAPO-34 single crystals with tunable porosity and Si content have been fast synthesized within 4 hours by a reconstruction strategy, which show excellent hydrothermal stability and MTO catalytic activity. This new strategy is further proven to be applicable to prepare other mesoporous SAPO molecular sieve single crystals.

  12. Guest replacement in a flexible single-crystal host by mixing the surrounding gas. (United States)

    Takamizawa, Satoshi; Miyake, Ryosuke


    The adsorption behavior of a single-crystal host [Cu2(bza)4(pyz)]n under vapor was studied by adsorption measurements and single-crystal X-ray analyses, demonstrating the sharp replacement of the included guest by mixing the surrounding vapor.

  13. Comparative Study of Phase Transformation in Single-Crystal Germanium during Single and Cyclic Nanoindentation

    Directory of Open Access Journals (Sweden)

    Koji Kosai


    Full Text Available Single-crystal germanium is a semiconductor material which shows complicated phase transformation under high pressure. In this study, new insight into the phase transformation of diamond-cubic germanium (dc-Ge was attempted by controlled cyclic nanoindentation combined with Raman spectroscopic analysis. Phase transformation from dc-Ge to rhombohedral phase (r8-Ge was experimentally confirmed for both single and cyclic nanoindentation under high loading/unloading rates. However, compared to single indentation, double cyclic indentation with a low holding load between the cycles caused more frequent phase transformation events. Double cyclic indentation caused more stress in Ge than single indentation and increased the possibility of phase transformation. With increase in the holding load, the number of phase transformation events decreased and finally became less than that under single indentation. This phenomenon was possibly caused by defect nucleation and shear accumulation during the holding process, which were promoted by a high holding load. The defect nucleation suppressed the phase transformation from dc-Ge to r8-Ge, and shear accumulation led to another phase transformation pathway, respectively. A high holding load promoted these two phenomena, and thus decreased the possibility of phase transformation from dc-Ge to r8-Ge.

  14. Series of solvent-induced single-crystal to single-crystal transformations with different sizes of solvent molecules. (United States)

    He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang


    A highly stable soft porous coordination polymer (PCP), namely [Cu3(TP)4(N3)2(DMF)2]·2H2O·2DMF (1), has been synthesized via an in situ synthesis of 4-tetrazole pyridine (TP) under solvothermal conditions (DMF = N,N'-dimethylformamide). Remarkably, the solvent molecules in 1 can be respectively exchanged with cyclohexane (C6H12), cyclopentane (C5H10), decahydronaphthalene (C10H18), 1,4-dioxane (C4H8O2), and tetrahydropyrane (C5H10O) in single-crystal to single-crystal (SCSC) manners to yield [Cu3(TP)4(N3)2(DMF)2]·3C6H12 (1a), [Cu3(TP)4(N3)2(DMF)2]·2C5H10 (1b), [Cu3(TP)4(N3)2(DMF)2]·H2O·C10H18 (1c), [Cu3(TP)4(N3)2(DMF)2]·C4H8O2 (1d), [Cu3(TP)4(N3)2]·3C4H8O2 (1e), and [Cu3(TP)4(N3)2]·2H2O·C5H10O (1f). Further, the occluded cyclohexane molecules in 1a can be removed by heating to give its porous guest-free form [Cu3(TP)4(N3)2(DMF)2] (1g). Particularly, in water, 1 can lose its coordinated N3(-) anions to generate [Cu(TP)2(H2O)4]·4H2O (1h). More interestingly, the soft PCP (1) demonstrates the guest selectivity for the cycloalkane solvents, namely cyclohexane, cyclopentane, and decahydronaphthalene, in SCSC manners for the first time, attributed to the synergy effect between the size and geometry of the solvent and the shape of the framework cavity. Moreover, the desolvated samples of 1e show the highly selective gas adsorption of CO2 over N2, indicating its potential application in the separation of the CO2/N2 mixture.

  15. The evolution of machining-induced surface of single-crystal FCC copper via nanoindentation. (United States)

    Zhang, Lin; Huang, Hu; Zhao, Hongwei; Ma, Zhichao; Yang, Yihan; Hu, Xiaoli


    The physical properties of the machining-induced new surface depend on the performance of the initial defect surface and deformed layer in the subsurface of the bulk material. In this paper, three-dimensional molecular dynamics simulations of nanoindentation are preformed on the single-point diamond turning surface of single-crystal copper comparing with that of pristine single-crystal face-centered cubic copper. The simulation results indicate that the nucleation of dislocations in the nanoindentation test on the machining-induced surface and pristine single-crystal copper is different. The dislocation embryos are gradually developed from the sites of homogeneous random nucleation around the indenter in the pristine single-crystal specimen, while the dislocation embryos derived from the vacancy-related defects are distributed in the damage layer of the subsurface beneath the machining-induced surface. The results show that the hardness of the machining-induced surface is softer than that of pristine single-crystal copper. Then, the nanocutting simulations are performed along different crystal orientations on the same crystal surface. It is shown that the crystal orientation directly influences the dislocation formation and distribution of the machining-induced surface. The crystal orientation of nanocutting is further verified to affect both residual defect generations and their propagation directions which are important in assessing the change of mechanical properties, such as hardness and Young's modulus, after nanocutting process.

  16. Self-organized defect strings in two-dimensional crystals. (United States)

    Lechner, Wolfgang; Polster, David; Maret, Georg; Keim, Peter; Dellago, Christoph


    Using experiments with single-particle resolution and computer simulations we study the collective behavior of multiple vacancies injected into two-dimensional crystals. We find that the defects assemble into linear strings, terminated by dislocations with antiparallel Burgers vectors. We show that these defect strings propagate through the crystal in a succession of rapid one-dimensional gliding and rare rotations. While the rotation rate decreases exponentially with the number of defects in the string, the diffusion constant is constant for large strings. By monitoring the separation of the dislocations at the end points, we measure their effective interactions with high precision beyond their spontaneous formation and annihilation, and we explain the double-well form of the dislocation interaction in terms of continuum elasticity theory.

  17. A novel ultra-broadband single polarization single mode photonic crystal fiber (United States)

    Jiang, Linghong; Zheng, Yi; Hou, Lantian; Zheng, Kai; Peng, Jiying; Zhao, Xingtao


    The concept of employing a central hole infiltrated with nematic liquid crystal (NLC) and two additional air holes in the core region is exploited to obtain an ultra-broadband single polarization single mode photonic crystal fiber (SPSM-PCF). The effects of structural parameters on the SPSM operation are studied using the full-vectorial finite element method. Numerical results show that the proposed structure can attain the SPSM operation bandwidth of 1610 nm (from 1.51 to 3.12 μm) with confinement loss lower than 0.01 dB/km. The SPSM operation range can also be widely tuned to shorter wavelengths by adjusting the structure parameters. And meanwhile, a broad dispersion-flattened SPSM PCF is also obtained around the communication wavelength. Moreover, the dual-core SPSM PCF has also been investigated, enabling potential applications in the wavelength splitter of 1.31 and 1.55 μm bands at a short fiber length of 1.629 mm with SPSM operation.

  18. Solid-state molecular organometallic chemistry. Single-crystal to single-crystal reactivity and catalysis with light hydrocarbon substrates. (United States)

    Chadwick, F Mark; McKay, Alasdair I; Martinez-Martinez, Antonio J; Rees, Nicholas H; Krämer, Tobias; Macgregor, Stuart A; Weller, Andrew S


    Single-crystal to single-crystal solid/gas reactivity and catalysis starting from the precursor sigma-alkane complex [Rh(Cy2PCH2CH2PCy2)(η2η2-NBA)][BArF4] (NBA = norbornane; ArF = 3,5-(CF3)2C6H3) is reported. By adding ethene, propene and 1-butene to this precursor in solid/gas reactions the resulting alkene complexes [Rh(Cy2PCH2CH2PCy2)(alkene) x ][BArF4] are formed. The ethene (x = 2) complex, [Rh(Cy2PCH2CH2PCy2)(ethene)2][BArF4]-Oct, has been characterized in the solid-state (single-crystal X-ray diffraction) and by solution and solid-state NMR spectroscopy. Rapid, low temperature recrystallization using solution methods results in a different crystalline modification, [Rh(Cy2PCH2CH2PCy2)(ethene)2][BArF4]-Hex, that has a hexagonal microporous structure (P6322). The propene complex (x = 1) [Rh(Cy2PCH2CH2PCy2)(propene)][BArF4] is characterized as having a π-bound alkene with a supporting γ-agostic Rh···H3C interaction at low temperature by single-crystal X-ray diffraction, variable temperature solution and solid-state NMR spectroscopy, as well as periodic density functional theory (DFT) calculations. A fluxional process occurs in both the solid-state and solution that is proposed to proceed via a tautomeric allyl-hydride. Gas/solid catalytic isomerization of d3-propene, H2C 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111 0000000000000000000000000000000000 0000000000000000000000000000000000

  19. Low Temperature Mechanical Properties of Boron - Single-Crystal Silicon. (United States)

    Mihailovich, Robert Emilio

    We have investigated, using mechanical resonator techniques, the importance of electronic states in the scattering of audio-frequency sound waves at low temperatures. Such states are known to exist in the energy-split ground state of holes bound to acceptor impurities in semiconductors. Accordingly, we studied the mechanical response of double-paddle resonators fabricated from single-crystal silicon wafers, doped to boron concentrations of 5.6 times 10^{13}/cc, 1.4 times 10^{15}/cc, 1.1 times 10^{16 }/cc, and 5.7 times 10 ^{16}/cc. The three highest dopant oscillators show a low -strain mechanical response that is dominated by scattering from such electronic hole states. All three oscillators show a dissipation maximum at 70-100mK, whose peak value increases with doping level. The normalized period change of all oscillators exhibits crystal softening below 10K, with this period change increasing with the doping level. The acoustic scattering from the holes is very strong. The oscillator made from our highest dopant sample, with about 1ppm boron impurities, has a peak dissipation of 2 times 10^{-5} at 65mK, and a period change of 3 times 10^{-3} below 1K. The dissipation data suggests that for these three oscillators, the hole level-splittings originate in the elastic strains from oxygen impurities. The response of the lowest doping oscillator shows very low dissipation and small normalized period shifts. We obtain a dissipation at 22mK of 3 times 10^{-8}. Such oscillators, then, would be very sensitive platforms for the study of small-dissipation processes at low temperatures. In addition, we observe in all our oscillators a high-strain nonlinear response which is more pronounced below about 0.3K. This nonlinearity was studied in the frequency shift of the resonance curve peak with amplitude. These "pulled" resonance curves are well described by classical nonlinear equations. Using these equations, we have mapped out the temperature dependence of this nonlinearity

  20. Liquid Crystals for Organic Field-Effect Transistors (United States)

    O'Neill, Mary; Kelly, Stephen M.

    Columnar, smectic and lamellar polymeric liquid crystals are widely recognized as very promising charge-transporting organic semiconductors due to their ability to spontaneously self-assemble into highly ordered domains in uniform thin films over large areas. The transport properties of smectic and columnar liquid crystals are discussed in Chaps. 2 (10.1007/978-90-481-2873-0_2) and 3 (10.1007/978-90-481-2873-0_3). Here we examine their application to organic field-effect transistors (OFETs): after a short introduction in Sect. 9.1 we introduce the OFET configuration and show how the mobility is measured in Sect. 9.2. Section 9.3 discusses polymeric liquid crystalline semiconductors in OFETs. We review research that shows that annealing of polymers in a fluid mesophase gives a more ordered microcrystalline morphology on cooling than that kinetically determined by solution processing of the thin film. We also demonstrate the benefits of monodomain alignment and show the application of liquid crystals in light-emitting field-effect transistors. Some columnar and smectic phases are highly ordered with short intermolecular separation to give large π-π coupling. We discuss their use in OFETs in Sects. 9.4, and 9.5 respectively. Section 9.6 summarises the conclusions of the chapter.


    Energy Technology Data Exchange (ETDEWEB)

    Rao, S I; Dimiduk, D M; Tang, M; Parthasarathy, T A; Uchic, M D; Woodward, C


    A recent study indicated that the behavior of single-ended dislocation sources contributes to the flow strength of micrometer-scale crystals. In this study 3D discrete dislocation dynamics simulations of micrometer-sized volumes are used to calculate the effects of anisotropy of dislocation line tension (increasing Poisson's ratio, {nu}) on the strength of single-ended dislocation sources and, to compare them with the strength of double-ended sources of equal length. This is done by directly modeling their plastic response within a 1 micron cubed FCC Ni single crystal using DDS. In general, double-ended sources are stronger than single-ended sources of an equal length and exhibit no significant effects from truncating the long-range elastic fields at this scale. The double-ended source strength increases with Poisson ratio ({nu}), exhibiting an increase of about 50% at u = 0.38 (value for Ni) as compared to the value at {nu} = 0. Independent of dislocation line direction, for {nu} greater than 0.20, the strengths of single-ended sources depend upon the sense of the stress applied. The value for {alpha}, in the expression for strength, {tau} = {alpha}(L){micro}b/L is shown to vary from 0.4 to 0.84 depending upon the character of the dislocation and the direction of operation of the source at {nu} corresponding to that of Ni, 0.38 and a length of 933b. By varying the lengths of the sources from 933b to 233b, it was shown that the scaling of the strength of single-ended and double-ended sources with their length both follow a ln(L/b)/(L/b) dependence. Surface image stresses are shown to have little effect on the critical stress of single-ended sources at a length of {approx}250b or greater. The relationship between these findings and a recent statistical model for the hardening of small volumes is also discussed.

  2. Growth and characterization of nonlinear optical single crystals: bis ...

    Indian Academy of Sciences (India)


    Experimental. 2.1 Synthesis and crystal growth of BCT and C4MB. Cyclohexylamine, terephthalic acid and para-methoxy benzoic acid reagents were the starting materials used to synthesise the title compounds. BCT crystal was grown by. *Author for correspondence (, ...

  3. High purity, low dislocation GaAs single crystals (United States)

    Chen, R. T.; Holmes, D. E.; Kirkpatrick, C. G.


    Liquid encapsulated Czochralski crystal growth techniques for producing undoped, high resistivity, low dislocation material suitable for device applications is described. Technique development resulted in reduction of dislocation densities in 3 inch GaAs crystals. Control over the melt stoichiometry was determined to be of critical importance for the reduction of twinning and polycrystallinity during growth.

  4. On the growth of calcium tartrate tetrahydrate single crystals

    Indian Academy of Sciences (India)


    tartaric acid content of the gel is completely exhausted partly through the formation of calcium tartrate crystals and partly through the demonstrable loss of tartaric acid to the solution at the top in the gel region close to the super- natant liquid. Normally, many small crystals grow in the gel medium and only a few of them are ...

  5. A porous 4-fold-interpenetrated chiral framework exhibiting vapochromism, single-crystal-to-single-crystal solvent exchange, gas sorption, and a poisoning effect. (United States)

    Zeng, Ming-Hua; Tan, Yan-Xi; He, Yan-Ping; Yin, Zheng; Chen, Qing; Kurmoo, Mohamedally


    The synthesis and characterization of a 4-fold-interpenetrated pseudodiamond metal-organic framework (MOF), Co(II)(pybz)2·2DMF [pybz = 4-(4-pyridyl)benzoate], are reported. N,N-Dimethylformamide (DMF) of the channels can be removed to give the porous framework, and it can also be exchanged for methanol, ethanol, benzene, and cyclohexane. It is a rare example of a stable MOF based on a single octahedral building unit. The single-crystal structures of Co(II)(pybz)2·2DMF, Co(II)(pybz)2, Co(II)(pybz)2·4MeOH, and Co(II)(pybz)2·2.5EtOH have been successfully determined. In all of them, the framework is marginally modified and contains a highly distorted and strained octahedral node of cobalt with two pyridine nitrogen atoms and two chelate carboxylate groups. In air, the crystals of Co(II)(pybz)2·2DMF readily change color from claret red to light pink. Thermogravimetric analysis and Raman spectroscopy indicate a change in coordination, where the carboxylate becomes monodentate and an additional two water molecules are coordinated to each cobalt atom. In a dry solvent, this transformation does not take place. Tests show that Co(II)(pybz)2 may be a more efficient drying agent than silica gel and anhydrous CuSO4. The desolvated Co(II)(pybz)2 can absorb several gases such as CO2, N2, H2, and CH4 and also vapors of methanol, ethanol, benzene, and cyclohexane. If Co(II)(pybz)2 is exposed to air and followed by reactivation, its sorption capacity is considerably reduced, which we associate with a poisoning effect. Because of the long distance between the cobalt atoms in the structure, the magnetic properties are those of a paramagnet.

  6. Single-Crystal Sapphire Optical Fiber Sensor Instrumentation

    Energy Technology Data Exchange (ETDEWEB)

    Pickrell, Gary [Virginia Polytechnic Inst. & State Univ., Blacksburg, VA (United States); Scott, Brian [Virginia Polytechnic Inst. & State Univ., Blacksburg, VA (United States); Wang, Anbo [Virginia Polytechnic Inst. & State Univ., Blacksburg, VA (United States); Yu, Zhihao [Virginia Polytechnic Inst. & State Univ., Blacksburg, VA (United States)


    This report summarizes technical progress on the program “Single-Crystal Sapphire Optical Fiber Sensor Instrumentation,” funded by the National Energy Technology Laboratory of the U.S. Department of Energy, and performed by the Center for Photonics Technology of the Bradley Department of Electrical and Computer Engineering at Virginia Tech. This project was completed in three phases, each with a separate focus. Phase I of the program, from October 1999 to April 2002, was devoted to development of sensing schema for use in high temperature, harsh environments. Different sensing designs were proposed and tested in the laboratory. Phase II of the program, from April 2002 to April 2009, focused on bringing the sensor technologies, which had already been successfully demonstrated in the laboratory, to a level where the sensors could be deployed in harsh industrial environments and eventually become commercially viable through a series of field tests. Also, a new sensing scheme was developed and tested with numerous advantages over all previous ones in Phase II. Phase III of the program, September 2009 to December 2013, focused on development of the new sensing scheme for field testing in conjunction with materials engineering of the improved sensor packaging lifetimes. In Phase I, three different sensing principles were studied: sapphire air-gap extrinsic Fabry-Perot sensors; intensity-based polarimetric sensors; and broadband polarimetric sensors. Black body radiation tests and corrosion tests were also performed in this phase. The outcome of the first phase of this program was the selection of broadband polarimetric differential interferometry (BPDI) for further prototype instrumentation development. This approach is based on the measurement of the optical path difference (OPD) between two orthogonally polarized light beams in a single-crystal sapphire disk. At the beginning of Phase II, in June 2004, the BPDI sensor was tested at the Wabash River coal gasifier

  7. Structural, Microhardness, Photoconductivity, and Dielectric Properties of Tris(thiourea Cadmium Sulphate Single Crystals

    Directory of Open Access Journals (Sweden)

    A. P. Arthi


    Full Text Available Semiorganic nonlinear optical tris(thiourea cadmium sulphate (TTCS single crystals were grown by slow evaporation method. The crystal system, cell parameter of the grown crystal, was identified by powder X-ray diffraction study. The self-focusing Z-scan technique has been employed to observe the third-order nonlinear optical property of the grown crystal. The mechanical property of the grown crystal was examined by using Vicker’s microhardness test. Chemical etching studies were made on the TTCS crystal using water as an etchant. The dark current and photocurrent properties of the crystal were estimated by using photoconductivity study. The dielectric constant of grown crystal was studied in different temperature by varying applied frequencies.

  8. Growth and characterization of air annealing Mn-doped YAG:Ce single crystal for LED

    Energy Technology Data Exchange (ETDEWEB)

    Xiang, Weidong, E-mail: [College of Chemistry and Materials Engineering, Wenzhou University, Wenzhou, Zhejiang 325035 (China); College of Materials Science and Engineering, Tongji University, Shanghai 201804 (China); Zhong, Jiasong [College of Chemistry and Materials Engineering, Wenzhou University, Wenzhou, Zhejiang 325035 (China); College of Materials Science and Engineering, Tongji University, Shanghai 201804 (China); Zhao, Yinsheng [Pan Asia Technical Automotive Center Co. Ltd., Shanghai 201201 (China); Zhao, Binyu [College of Materials Science and Engineering, Tongji University, Shanghai 201804 (China); Liang, Xiaojuan [College of Chemistry and Materials Engineering, Wenzhou University, Wenzhou, Zhejiang 325035 (China); Dong, Yongjun [Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Science, Shanghai 201800 (China); Zhang, Zhimin; Chen, Zhaoping; Liu, Bingfeng [College of Chemistry and Materials Engineering, Wenzhou University, Wenzhou, Zhejiang 325035 (China)


    Highlights: Black-Right-Pointing-Pointer The YAG:Ce,Mn single crystal was well synthesized by the Czochralski (CZ) method. Black-Right-Pointing-Pointer The emission intensity of the sample has been influenced after annealing. Black-Right-Pointing-Pointer Annealed in the air at 1200 Degree-Sign C was the most optimal annealing condition. Black-Right-Pointing-Pointer The single crystal could be used in the white light LED which emitted by blue light. - Abstract: The growth of Mn-doped YAG:Ce (yttrium aluminum garnet doped cerium) single crystal by the Czochralski (CZ) method and the characterization of its spectroscopy and color-electric parameters are presented. The absorption spectra indicate that the crystal absorbed highly in the 300-500 nm wavelength range. The emission spectrum of the crystal consists of a peak around 538 nm when excited by 460 nm blue light, which prove the YAG:Ce,Mn single crystal could be used in the white light emitting doides (LED). The different charges of Mn ions have different luminescence properties, and the air annealing process for the single crystal would change the concentration of Mn ions with different charges, which could influence the emission intensity of the single crystal.

  9. Synthesis and photocatalytic activity of mesoporous – (001) facets TiO{sub 2} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Yeshuo [School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072 (China); Fei, Xuening, E-mail: [School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072 (China); School of Science, Tianjin Chengjian University, Tianjin 300384 (China); Zhou, Yongzhu [School of Science, Tianjin Chengjian University, Tianjin 300384 (China)


    Highlights: • The (001) facets of TiO{sub 2} single crystals with mesoporous structure. • The (010) and (100) facets of TiO{sub 2} single crystals were covered by the flower – shaped TiO{sub 2} crystals. • This special structure could promote charge separation and provide more active sites, which will lead to a substantial increase in photocatalytic activity. - Abstract: In this work, the mesoporous – (001) facets TiO{sub 2} single crystals have been successfully synthesized through a two-step solvothermal route without any template. Their structure and morphology were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), ultraviolet-visible (UV–vis) diffuse reflectance spectroscopy and energy dispersive X-ray spectrometer (EDX). Based on the different characteristics and atomic arrangements on each facet of anatase TiO{sub 2} single crystals, we synthesized these mesoporous – (001) facets TiO{sub 2} single crystals by controlling the interaction characteristics of hydrofluoric acid (HF) and isopropanol (i-PrOH) on the crystal facets. It can been seen that the (001) facets of these as-synthesized TiO{sub 2} single crystals have a clear mesoporous structure through the SEM images and BET methods. Moreover, the other four facets were covered by the flower – shaped TiO{sub 2} crystals with the generation of the mesoporous – (001) facets. This special and interesting morphology could promote charge separation and provide more active sites, which will lead to a substantial increase in photocatalytic activity. Moreover, it is more intuitive to reflect that the different crystal facets possess the different properties due to their atomic arrangement. Besides, according to the different synthetic routes, we proposed and discussed a plausible synthesis mechanism of these mesoporous – (001) facets TiO{sub 2} single crystals.

  10. Mechanism of the superior mechanical strength of nanometer-sized metal single crystals revealed

    KAUST Repository

    Afify, N. D.


    Clear understanding of the superior mechanical strength of nanometer-sized metal single crystals is required to derive advanced mechanical components retaining such superiority. Although high quality studies have been reported on nano-crystalline metals, the superiority of small single crystals has neither been fundamentally explained nor quantified to this date. Here we present a molecular dynamics study of aluminum single crystals in the size range from 4.1 nm to 40.5 nm. We show that the ultimate mechanical strength deteriorates exponentially as the single crystal size increases. The small crystals superiority is explained by their ability to continuously form vacancies and to recover them. © 2013 Published by Elsevier B.V.

  11. Synthesis and characterization of rare earth coordinated with thiourea single crystal (United States)

    Singh, Harjinder; Slathia, Goldy; Bamzai, K. K.


    Single crystal of yttrium chloride coordinated with thiourea was successfully grown from aqueous solution by slow solvent evaporation technique at room temperature using deionized water as a solvent. The structure of the crystal belongs to orthorhombic system and crystallizes in non-centro-symmetric space group Pn21a. The thermal stability was analyzed by thermo gravimetric / differential thermo analytical (TG/DTA). FTIR studies confirmed the compound formation and presence of functional groups in the crystal. UV-Vis-NIR spectroscopic studies show that the crystals possess wide transmittance in the visible region and significant optical band gap of 4.2ev with cut off wavelength of 246 nm.

  12. Laue diffraction: The key to neutron crystallography from submillimetric-volume single crystals (United States)

    Lemée-Cailleau, M.-H.; McIntyre, G. J.; Wilkinson, C.


    For several decades, chemists and physicists have been fascinated by molecular compounds rich in delocalized electrons. In the solid state these compounds may offer a very rich fan of properties: optical, conduction and dielectric, magneticldots Each state is the result of a delicate balance amongst intra- and/or intermolecular interactions which can be controlled, not just by direct chemical substitution, but also by external parameters such as temperature, pressure, continuous electric or magnetic fields, or by light. The recent evolution of this field of science towards more and more sophisticated materials makes also more and more difficult their crystal growth. While neutron scattering is an extremely powerful technique to get precise structural information, it is also often disregarded in this field because usually large single crystals are required. With the recent renaissance of Laue techniques using the very intense flux provided by the reactor of the Institut Laue-Langevin (ILL), accurate structural and/or magnetic information can be now extracted routinely from molecular crystals of volume 0.1 mm3 or smaller, with easy possibilities of high pressure (up to 3 GPa) down to 0.2 K. A general survey of these new possibilities is illustrated by an example taken from the field of low-dimensional organic complexes.

  13. Mechanism of linear and nonlinear optical properties of bis-thiourea cadmium chloride single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Yang, J.T., E-mail: [School of Science, Hubei University of Automotive Technology (China); School of Physics, Huazhong University of Science and Technology (China); Luo, S.J., E-mail: [School of Science, Hubei University of Automotive Technology (China); Yi, L. [School of Physics, Huazhong University of Science and Technology (China); Laref, A. [School of Science, Hubei University of Automotive Technology (China)


    Within the generalized gradient approximation (GGA), a calculation of the electronic structure of a semiorganic crystal named bis-thiourea cadmium chloride (BTCC) was performed, then the linear and nonlinear optical responses were obtained over a wide energy range, using a scissor energy of 1.30 eV, and our results are in good agreement with the experiments. The accurate full-potential projected augmented wave (FP-PAW) method was used. The prominent spectrum of the second harmonic generation (SHG) was successfully correlated with the dielectric function in terms of single- and double-photon resonances. Both the virtual electron (VE) and virtual hole (VH) processes make contributions to the SHG of BTCC crystal, and the VH process is enhanced by the Cd-centered tetrahedron. The SHG effect of the semiorganic material is attributed to the charge transfer (CT). The CT model for the semiorganic crystal is named as 'M-{Pi}{sub O} Midline-Horizontal-Ellipsis X'. 'M' is a metal atom providing electrons, '{Pi}{sub O}' is a {pi}-conjugated covalent of an organic molecule, and 'X' is a high electronegativity atom. The CT across the BTCC molecule is along a {pi}-electron conjugation covalence bond, and the delocalized electrons of sulfur provide an excellent bridge. The strong 'pull' effect for the CT is due to the intramolecular hydrogen bonds provided by the chlorine with the high electron affinity.

  14. Fabrication of Triangular Nanobeam Waveguide Networks in Bulk diamond Using Single-Crystal Silicon Hard Masks

    CERN Document Server

    Bayn, I; Li, L; Goldstein, J A; Schröder, T; Zhang, J; Chen, E H; Gaathon, O; Lu, M; Stein, A; Ruggiero, C A; Salzman, J; Kalish, R; Englund, D


    A scalable approach for integrated photonic networks in single-crystal diamond using triangular etching of bulk samples is presented. We describe designs of high quality factor (Q=2.51x10^6) photonic crystal cavities with low mode volume (Vm=1.062x({\\lambda}/n)^3), which are connected via waveguides supported by suspension structures with predicted transmission loss of only 0.05 dB. We demonstrate the fabrication of these structures using transferred single-crystal silicon hard masks and angular dry etching, yielding photonic crystal cavities in the visible spectrum with measured quality factors in excess of Q=3x103.

  15. Towards solution and refinement of organic crystal structures by fitting to the atomic pair distribution function. (United States)

    Prill, Dragica; Juhás, Pavol; Billinge, Simon J L; Schmidt, Martin U


    A method towards the solution and refinement of organic crystal structures by fitting to the atomic pair distribution function (PDF) is developed. Approximate lattice parameters and molecular geometry must be given as input. The molecule is generally treated as a rigid body. The positions and orientations of the molecules inside the unit cell are optimized starting from random values. The PDF is obtained from carefully measured X-ray powder diffraction data. The method resembles `real-space' methods for structure solution from powder data, but works with PDF data instead of the diffraction pattern itself. As such it may be used in situations where the organic compounds are not long-range-ordered, are poorly crystalline, or nanocrystalline. The procedure was applied to solve and refine the crystal structures of quinacridone (β phase), naphthalene and allopurinol. In the case of allopurinol it was even possible to successfully solve and refine the structure in P1 with four independent molecules. As an example of a flexible molecule, the crystal structure of paracetamol was refined using restraints for bond lengths, bond angles and selected torsion angles. In all cases, the resulting structures are in excellent agreement with structures from single-crystal data.

  16. White light emitting silicon nano-crystals-polymeric hybrid films prepared by single batch solution based method

    Energy Technology Data Exchange (ETDEWEB)

    Balci, Mustafa H. [Department of Materials Science and Engineering, NTNU, 7491 Trondheim (Norway); Aas, Lars Martin Sandvik; Kildemo, Morten; Sæterli, Ragnhild; Holmestad, Randi; Lindgren, Mikael [Department of Physics, NTNU, 7491 Trondheim (Norway); Grande, Tor [Department of Materials Science and Engineering, NTNU, 7491 Trondheim (Norway); Einarsrud, Mari-Ann, E-mail: [Department of Materials Science and Engineering, NTNU, 7491 Trondheim (Norway)


    Silicon nano-crystals have been studied intensively due to their photoluminescence properties and possible applications in new generation opto-electronic devices. Their importance in lightning and display technologies is increasing due to the abundance and non-toxicity of silicon. Here we report a single batch solution based synthesis route to silicon nano-crystal organic hybrid films exhibiting white light photoluminescence at room temperature upon excitation by ultraviolet light. Films prepared by ethylene glycol terminated Si nano-crystals showed maximum 240 nm red shift in photoluminescence response upon excitation at 350 nm. The shift was found to decrease in order for hybrid films fabricated using acrylic acid, 1-octanol acid and oleic acid terminated Si nano-crystals. The mean size of the Si nano-crystals (~ 2–10 nm) estimated by Raman spectroscopy were smallest for the ethylene glycol capped Si nano-crystal films. The calculated Tauc bandgaps of the hybrid films varied between 1.51 and 2.35 eV. - Highlights: • White light emitting Si nanocrystal hybrid films were synthesized at low temperature • The effect of the surface termination of the Si nano-crystals is reported • A red shift in photoluminescence response was observed • The hybrid films are new candidate white light emitting diodes • The hybrid films can be used in solar cell applications for spectral-shifting control.

  17. Preparative crystallization of a single chain antibody using an aqueous two-phase system. (United States)

    Huettmann, Hauke; Berkemeyer, Matthias; Buchinger, Wolfgang; Jungbauer, Alois


    A simultaneous crystallization and aqueous two-phase extraction of a single chain antibody was developed, demonstrating process integration. The process conditions were designed to form an aqueous two-phase system, and to favor crystallization, using sodium sulfate and PEG-2000. At sufficiently high concentrations of PEG, a second phase was generated in which the protein crystallization occurred simultaneously. The single chain antibody crystals were partitioned to the top, polyethylene glycol-rich phase. The crystal nucleation took place in the sodium sulfate-rich phase and at the phase boundary, whereas crystal growth was progressing mainly in the polyethylene glycol-rich phase. The crystals in the polyethylene glycol-rich phase grew to a size of >50 µm. Additionally, polyethylene glycol acted as an anti-solvent, thus, it influenced the crystallization yield. A phase diagram with an undersaturation zone, crystallization area, and amorphous precipitation zone was established. Only small differences in polyethylene glycol concentration caused significant shifts of the crystallization yield. An increase of the polyethylene glycol content from 2% (w/v) to 4% (w/v) increased the yield from approximately 63-87%, respectively. Our results show that crystallization in aqueous two-phase systems is an opportunity to foster process integration. © 2014 Wiley Periodicals, Inc.

  18. Single Mode Photonic Crystal Vertical Cavity Surface Emitting Lasers

    Directory of Open Access Journals (Sweden)

    Kent D. Choquette


    Full Text Available We review the design, fabrication, and performance of photonic crystal vertical cavity surface emitting lasers (VCSELs. Using a periodic pattern of etched holes in the top facet of the VCSEL, the optical cavity can be designed to support the fundamental mode only. The electrical confinement is independently defined by proton implantation or oxide confinement. By control of the refractive index and loss created by the photonic crystal, operation in the Gaussian mode can be insured, independent of the lasing wavelength.

  19. Single shot ultrafast dynamic ellipsometry (UDE) of laser-driven shocks in single crystal explosives

    Energy Technology Data Exchange (ETDEWEB)

    Whitley, Von H [Los Alamos National Laboratory; Mcgrane, Shawn D [Los Alamos National Laboratory; Moore, David S [Los Alamos National Laboratory; Eakins, Dan E [Los Alamos National Laboratory; Bolme, Cindy A [Los Alamos National Laboratory


    We report on the first experiments to measure states in shocked energetic single crystals with dynamic ellipsometry. We demonstrate that these ellipsometric techniques can produce reasonable Hugoniot values using small amounts of crystalline RDX and PETN. Pressures, particle velocities and shock velocities obtained using shocked ellipsometry are comparable to those found using gas-gun flyer plates and molecular dynamics calculations. The adaptation of the technique from uniform thin films of polymers to thick non-perfect crystalline materials was a significant achievement. Correct sample preparation proved to be a crucial component. Through trial and error, we were able to resolve polishing issues, sample quality problems, birefringence effects and mounting difficulties that were not encountered using thin polymer films.

  20. Studies of Second Order Optical Nonlinearities of 4-Aminobenzophenone (ABP) Single Crystal Films (United States)

    Bhowmik, Achintya; Thakur, Mrinal


    Specific organic materials exhibit very high second order optical susceptibilities. Growth of single crystal films of these materials and characterization of nonlinear optical properties are necessary for implementation of device applications. We have grown large-area films ( 1 cm^2 area, 4 μm thick) of ABP by a modification of the shear method. Single crystal nature of the films was confirmed by polarized optical microscopy. X-ray diffraction analysis showed a [100] surface orientation. The absorption spectra revealed transparency from 390 nm to 1940 nm. Significant elements of the second order optical susceptibility tensor were measured by detailed SHG experiments using a Nd:YAG laser (1064 nm, 100 ps, 82 MHz). Second-harmonic power was measured using lock-in detection with carefully selected polarization conditions while the film was rotated about the propagation direction. Using LiNbØas the reference, d-coefficients of ABP were found to be d_23=7.2 pm/V and d_22=0.7 pm/V. Type-I and type-II phase-matching directions were identified on the film by analyzing the optical indicatrix surfaces at fundamental and second-harmonic frequencies.

  1. Demonstration of a single-crystal reflector-filter for enhancing slow neutron beams

    DEFF Research Database (Denmark)

    Muhrer, G.; Schonfeldt, T.; Iverson, E. B.


    , the suppression of intermediate wavelength neutrons is often unwelcome. It has been hypothesized that replacing the polycrystalline reflector-filter concept with a single-crystal reflector-filter concept would overcome the suppression of intermediate wavelength neutrons and thereby extend the usability...... of the reflector-filter concept to shorter but still important wavelengths. In this paper we present the first experimental data on a single-crystal reflector-filter at a reflected neutron source and compare experimental results with hypothesized performance. We find that a single-crystal reflector-filter retains...

  2. Steady-state crack growth in single crystals under Mode I loading

    DEFF Research Database (Denmark)

    Juul, Kristian Jørgensen; Nielsen, Kim Lau; Niordson, Christian Frithiof


    that the largest shielding effect develops in HCP crystals, while the lowest shielding exists for FCC crystals. Rate-sensitivity is found to affect the plastic zone size, but the characteristics overall remain similar for each individual crystal structure. An increasing rate-sensitivity at low crack velocities......The active plastic zone that surrounds the tip of a sharp crack growing under plane strain Mode I loading conditions at a constant velocity in a single crystal is studied. Both the characteristics of the plastic zone and its effect on the macroscopic toughness is investigated in terms of crack tip...... shielding due to plasticity (quantified by employing the Suo, Shih, and Varias set-up). Three single crystals (FCC, BCC, HCP) are modelled in a steady-state elastic visco-plastic framework, with emphasis on the influence of rate-sensitivity and crystal structures. Distinct velocity discontinuities...

  3. Crystal front shape control by use of an additional heater in a Czochralski sapphire single crystal growth system (United States)

    Hur, Min-Jae; Han, Xue-Feng; Choi, Ho-Gil; Yi, Kyung-Woo


    The quality of sapphire single crystals used as substrates for LED production is largely influenced by two defects: dislocation density and bubbles trapped in the crystal. In particular, the dislocation density has a higher value in sapphire grown by the Czochralski (CZ) method than by other methods. In the present study, we predict a decreased value for the convexity and thermal gradient at the crystal front (CF) through the use of an additional heater in an induction-heated CZ system. In addition, we develop a solute concentration model by which the location of bubble formation in CZ growth is calculated, and the results are compared with experimental results. We further calculate the location of bubble entrapment corresponding with the use of an additional heater. We find that sapphire crystal growth with an additional heater yields a decreased thermal gradient at the CF, together with decreased CF convexity, improved energy efficiency, and improvements in terms of bubble formation location.

  4. Improved critical current density in Zn doped YBCO single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Hussain, Manzoor, E-mail: [Department of Electrical and Electronic Engineering, University Technology PETRONAS, 31750 Tronoh, Perak (Malaysia); Takita, Koki [Institute of Materials Science, University of Tsukuba, Tsukuba, Ibaraki 305 (Japan)


    Magnetic measurements were made using pure YBCO and Zn doped YBa{sub 2}(Cu{sub 1-x}Zn{sub x}){sub 3}O{sub 7-s}igma. Single crystals with Zn concentration of 0.5%, 1.5%, 3.0% and 4.3%. The magnetic hysteresis loops for these samples were measured in the temperature range 0.1 <= T/T{sub c} <= 0.96 under magnetic fields of 5 T using SQUID. It was found that the critical current density J{sub c} increased for low Zn content samples up to 3% Zn concentration compared to pure YBCO sample and decreased for the higher Zn content samples. These values varied consistently when compared at magnetic fields of 1 T and 3 T. Moreover Zn doped samples showed significant values of J{sub c} in the temperature range of 0.7-0.9T{sub c}, close to critical temperature compared to pure YBCO sample. The irreversibility field H{sub irr} was also enhanced in this temperature range showing consistent decrease with increase of Zn concentration. The peak field H{sub p} above H{sub c1} and irreversibility field H{sub irr}, both show power law dependence of the form H = m{sub 1}(1 - T/T{sub c}){sup m2} in the temperature range of 0.75-0.96T{sub c}. The values of parameter m{sub 2} increased from 1.44 to 1.95 for the samples up to 3% Zn content and decreased to 1.37 for higher Zn contents. The ratio H{sub irr}/H{sub p} was found to be 3-4 for the lower Zn content samples and was 7-8 for the sample with high Zn content indicating more disorder for higher Zn content samples. The region between peak field H{sub p} and irreversibility field H{sub irr} was broadened with the increase of Zn concentration. The strong effect of Zn substitution in modifying behavior of these samples even at elevated temperatures is possibly due to the changes in the anisotropy of our samples with the increase of Zn concentration and also due to the locally induced changes in magnetic moments by Zn substitution.

  5. Kyropoulos method for growth of nonlinear optical organic crystal ABP (4-aminobenzophenone) from the melt (United States)

    Pan, Shoukui; Okano, Y.; Tsunekawa, S.; Fukuda, T.


    The Kyropoulus method was used to grow nonlinear optical organic crystals ABP (4-aminobenzophenone). The crystals were characterized by nonlinear optical measurements and had a large effect of frequency doubling.

  6. Gallium arsenide single crystal solar cell structure and method of making (United States)

    Stirn, Richard J. (Inventor)


    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.

  7. Structure and Properties of Reduced Barium Niobium Oxide Single Crystals Obtained from Borate Fluxes

    NARCIS (Netherlands)

    Hessen, B.; Sunshine, S.A.; Siegrist, T.; Fiory, A.T.; Waszczak, J.V.


    Single crystals of the reduced niobate Ba2Nb15O32 are produced by heating NbO2 in BaO·3B2O3 under high-vacuum conditions. The borate acts both as a source of BaO and as a flux for crystallization. The compound Ba2Nb15O32 crystallizes in space group R3 (a = 7.777 (1) Å, c = 35.518 (6) Å) and contains

  8. Comparative characterization of rhombohedral and tetragonal PZN-PT single crystals

    Directory of Open Access Journals (Sweden)

    D. Kobor


    Full Text Available Ferroelectric single crystals Pb(Zn1/3Nb2/3O3–PbTiO3 (PZN–PT are promising full materials for nonresonant or large bandwidth transducers due to the large values of their piezoelectric properties (dij, kij and their mechanical quality factor (Qij. However the properties of these materials depend greatly on the content of titanium which influences very significantly the symmetry of the crystal. In this paper we try to understand the influence of the percentage of Titanium in these crystals by studying the two compositions that are in very different phases at room temperature (rhombohedral and tetragonal symmetries. Crystals of pure PZN–4.5PT and PZN-12PT were grown by a Flux technique. The typical single crystals obtained are brown yellow. The room temperature dielectric permittivity along the direction is about 900 for the PZN-12PT, which is smaller than that of the PZN–4.5PT (5840. The Curie point Tc of the tetragonal crystal is about 220 °C (which is higher than that of the rhombohedral one (166 °C, while the ferroelectric phase transition temperature is 130 °C for the PZN-4.5PT single crystal. The remnant polarization and coercive field of oriented crystals measured at 1 kHz are around 40 μC/cm2 and 3.30 kV/cm, respectively for the PZN-4.5PT, 27μC/cm2 and 11.1 kV/cm for the PZN-12PT single crystal. The d33 versus uniaxial stress shows that this coefficient is more stable for the single crystal with low Ti than for that with high rate of Ti. The study of temperature stability on these crystals shows a possible presence of an unidentified phase in the low and negative range temperature for the PZN-4.5PT.

  9. Organic Matter in Extraterrestrial Water-Bearing Salt Crystals (United States)

    Chan, Q. H. S.; Zolensky, M. E.; Kebukwa, Y.; Fries, M.; Steele, A.


    Introduction: Direct samples of early Solar System fluids are present in two thermally-metamorphosed ordinary chondrite regolith breccias (Monahans (1998) [H5] and Zag [H3-6]), which were found to contain brine-bearing halite (NaCl) crystals that have been added to the regolith of an S-type asteroid following asteroidal metamorphism [1, 2]. The brine-bearing halite grains were proposed to be formed on an icy C-type asteroids (possibly Ceres), and transferred to an S-type asteroid via cryovolcanic event(s) [3]. A unique aspect of these halites is that they contain abundant organic rich solid inclusions hosted within the halites alongside the water inclusions. Methods: We analyzed in detail the compositions of the organic solids and the amino acid content of the halite crystals with two-step laser desorption/laser ionization mass spectrometry (L(sup 2) MS), Raman spectroscopy, X-ray absorption near edge structure (XANES), nanoscale secondary ion mass spectrometry (NanoSIMS), and ultra-performance liquid chromatography fluorescence detection and quadrupole time of flight hybrid mass spectrometry (UPLC-FD/QToF-MS). Results and Discussion: The L(sup 2) MS results show signatures of low-mass polyaromatic hydro-carbons (PAHs) indicated by sequences of peaks separated by 14 atomic mass units (amu) due to successive addition of methylene (CH2) groups to the PAH skeletons [4]. Raman spectra of the micron-sized solid inclusions of the halites indicate the presence of abundant and highly variable organic matter that include a mixture of short-chain aliphatic compounds and macromolecular carbon. C-XANES analysis identified C-rich areas with peaks at 285.0 eV (aromatic C=C) and 286.6 eV (vinyl-keto C=O). However, there is no 1s-sigma* exciton peak (291.7 eV) that is indicative of the development of graphene structure [5], which suggests the organics were synthesized cold. Na-noSIMS analyses show C-rich and N-rich areas that exhibit similar isotopic values with that of the IOM in

  10. Nanoscience with liquid crystals from self-organized nanostructures to applications

    CERN Document Server

    Li, Quan


    This book focuses on the exciting topic of nanoscience with liquid crystals: from self-organized nanostructures to applications. The elegant self-organized liquid crystalline nanostructures, the synergetic characteristics of liquid crystals and nanoparticles, liquid crystalline nanomaterials, synthesis of nanomaterials using liquid crystals as templates, nanoconfinement and nanoparticles of liquid crystals are covered and discussed, and the prospect of fabricating functional materials is highlighted. Contributions, collecting the scattered literature of the field from leading and active player

  11. The Bridgman method growth and spectroscopic characterization of calcium fluoride single crystals

    Directory of Open Access Journals (Sweden)

    Elswie Ibrahim Hana


    Full Text Available It must be noted that the main objective of this study was to obtain single crystals of calcium fluoride - CaF2, and after that the crystals were characterized with various spectroscopic methods. The crystals were grown using the Bridgman technique. By optimizing growth conditions, oriented CaF2 crystals up to 20 mm in diameter were grown. Number of dislocations in CaF2 crystals was 5×104 - 2×105 per cm2. Selected CaF2 single crystal is cut into several tiles with the diamond saw. The plates were polished, first with the silicon carbide, then the paraffin oil, and finally with a diamond paste. The obtained crystal wаs studied by Raman and infrared -IR spectroscopy. The crystal structure is confirmed by X-ray diffraction (XRD. One Raman and two IR optical modes predicted by group theory are observed. A low photoluminescence testifies that the concentration of oxygen defects within the host CaF2 is small. All performed investigations show that the obtained CaF2 single crystal has good optical quality, which was the goal of this work. [Projekat Ministarstva nauke Republike Srbije, br. III 45003 i br. TR34011

  12. Study of structural and optical properties of YAG and Nd:YAG single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kostić, S. [Institute of Physics, University of Belgrade, P.O. Box 68, Pregrevica 118, Zemun, Belgrade (Serbia); Lazarević, Z.Ž., E-mail: [Institute of Physics, University of Belgrade, P.O. Box 68, Pregrevica 118, Zemun, Belgrade (Serbia); Radojević, V. [Faculty of Technology and Metallurgy, University of Belgrade, Belgrade (Serbia); Milutinović, A.; Romčević, M.; Romčević, N.Ž. [Institute of Physics, University of Belgrade, P.O. Box 68, Pregrevica 118, Zemun, Belgrade (Serbia); Valčić, A. [Faculty of Technology and Metallurgy, University of Belgrade, Belgrade (Serbia)


    Highlights: • Transparent YAG and pale pink Nd:YAG single crystals were produced by the Czochralski technique. • Growth mechanisms and shape of the liquid/solid interface and incorporation of Nd{sup 3+} were studied. • The structure of the crystals was investigated by X-ray diffraction, Raman and IR spectroscopy. • The 15 Raman and 17 IR modes were observed. • The obtained YAG and Nd:YAG single crystals were without core and of good optical quality. - Abstract: Yttrium aluminum garnet (YAG, Y{sub 3}Al{sub 5}O{sub 12}) and yttrium aluminum garnet doped with neodymium (Nd:YAG) single crystals were grown by the Czochralski technique. The critical diameter and the critical rate of rotation were calculated. Suitable polishing and etching solutions were determined. As a result of our experiments, the transparent YAG and pale pink Nd:YAG single crystals were produced. The obtained crystals were studied by X-ray diffraction, Raman and IR spectroscopy. The crystal structure was confirmed by XRD. The 15 Raman and 17 IR modes were observed. The Raman and IR spectroscopy results are in accordance with X-ray diffraction analysis. The obtained YAG and Nd:YAG single crystals were without core and of good optical quality. The absence of a core was confirmed by viewing polished crystal slices. Also, it is important to emphasize that the obtained Nd:YAG single crystal has a concentration of 0.8 wt.% Nd{sup 3+} that is characteristic for laser materials.

  13. EXAFS investigations on PbMoO4 single crystals grown under ...

    Indian Academy of Sciences (India)

    Some information pertaining to the presence of possible impurity phases in stoichiometry deficient crystals was also reported recently (Sangeeta et al 2006). X-ray photoelectron spectroscopic (XPS) investigations carried out have revealed the presence of a single peak in photoelectron spectrum of Mo3d for LMO crystals ...

  14. Piezoelectric properties of Sr3 Ga2 Ge4 O14 single crystals

    Indian Academy of Sciences (India)

    A new piezoelectric single crystal, Sr3Ga2Ge4O14 (SGG), has been grown successfully by the vertical Bridgman method with crucible-sealing technique. SGG crystal up to 2″ in diameter has been obtained. The relative dielectric constants, the piezoelectric strain constants, elastic compliance constants and ...

  15. Growth and thermoelectric properties of p-type layered GaTe single crystals (United States)

    Vu, Thi Hoa; Pham Anh, Tuan; Duong Anh, Tuan; Nguyen van, Quang; Cho, Sunglae

    Gallium Telluride (GaTe) crystal is a member of chalcogenide crystal family as same as two-dimensional (2D) semiconductors. As for GaTe, the high dissymmetry between intra- and inter bond strengths can give rise to a strong scattering of the charge carriers by optical phonon polarized perpendicular to the layers, so thermal conductivity can be reduced. However, due to the difficulty in growth of large-size high quality crystals, it is one of the less investigated materials. In this talk, we report on the crystal structure and thermoelectric properties of p-type GaTe single crystals. The sample was obtained by the vertical temperature gradient method. The single crystal structure was determined by XRD and FE-SEM measurement. Thermoelectric and transport properties both along and perpendicular to the layered planes were evaluated in the temperature range from 20 to 400 K. We observed very high positive Seebeck coefficients in GaTe single crystal. Maximum values are about 2000 and 843 for in-plane and perpendicular direction, respectively. The results indicate a p-type semiconductor in GaTe single crystal. We will discuss on temperature and direction dependent power factor value of p-type GaTe in detail.

  16. Growth of large, defect-free pure C60 single crystals (United States)

    Meng, R. L.; Ramirez, D.; Jiang, X.; Chow, P. C.; Diaz, C.; Matsuishi, K.; Moss, S. C.; Hor, P. H.; Chu, C. W.


    Millimeter-sized single crystals of C60 were grown by sublimation of C60 powder in a vacuum for 6-24 h. The crystals had excellent facets, were free of C70 or solvent, and showed face-centered cubic symmetry with a very small mosaic spread down to 0.01 deg.

  17. Experimental realization of highly efficient broadband coupling of single quantum dots to a photonic crystal waveguide

    DEFF Research Database (Denmark)

    Lund-Hansen, Toke; Stobbe, Søren; Julsgaard, Brian


    We present time-resolved spontaneous emission measurements of single quantum dots embedded in photonic crystal waveguides. Quantum dots that couple to a photonic crystal waveguide are found to decay up to 27 times faster than uncoupled quantum dots. From these measurements -factors of up to 0...

  18. Optical and electrical properties of ZrSe3 single crystals grown by ...

    Indian Academy of Sciences (India)


    Abstract. Single crystals of the lamellar compound, ZrSe3, were grown by chemical vapour transport tech- nique using iodine as a transporting agent. The grown crystals were characterized with the help of energy dispersive analysis by X-ray (EDAX), which gave confirmation about the stoichiometry. The optical band gap.

  19. Optical and spin properties of a single praseodymium ion in a crystal


    Xia, Kangwei; Kolesov, Roman; Wang, Ya; Siyushev, Petr; Kornher, Thomas; Reuter, Rolf; Yang, Sen; Wrachtrup, Jörg


    The investigation of single atoms in solids, with both optical and nuclear spin access is of particularly interest with applications ranging from nanoscale sensing to quantum computation. Here, we study the optical and spin properties of single praseodymium ions in an yttrium aluminum garnet (YAG) crystal at cryogenic temperature. The single nuclear spin of single praseodymium ions is detected through a background-free optical upconverting readout technique. Single ions show stable photolumin...

  20. Methods for producing single crystal mixed halide perovskites (United States)

    Zhu, Kai; Zhao, Yixin


    An aspect of the present invention is a method that includes contacting a metal halide and a first alkylammonium halide in a solvent to form a solution and maintaining the solution at a first temperature, resulting in the formation of at least one alkylammonium halide perovskite crystal, where the metal halide includes a first halogen and a metal, the first alkylammonium halide includes the first halogen, the at least one alkylammonium halide perovskite crystal includes the metal and the first halogen, and the first temperature is above about C.

  1. Single Crystal Piezoelectric Deformable Mirrors with High Actuator Density and Large Stroke Project (United States)

    National Aeronautics and Space Administration — Single crystal piezoelectric deformable mirrors with high actuator density, fine pitch, large stroke and no floating wires will be developed for future NASA science...

  2. Single Crystal Piezomotor for Large Stroke, High Precision and Cryogenic Actuations Project (United States)

    National Aeronautics and Space Administration — TRS Technologies proposes a novel single crystal piezomotor for large stroke, high precision, and cryogenic actuations with capability of position set-hold with...

  3. Advanced Electroactive Single Crystal and Polymer Actuators for Passive Optics Project (United States)

    National Aeronautics and Space Administration — Large stroke and high precision electroactive single crystal and polymer actuators are desired for cryogenic passive optics such as Fabry-Perot Interferometer (FPI)...

  4. Environmental Qualification of a Single-Crystal Silicon Mirror for Spaceflight Use (United States)

    Hagopian, John; Chambers, John; Rohrback. Scott; Bly, Vincent; Morell, Armando; Budinoff, Jason


    This innovation is the environmental qualification of a single-crystal silicon mirror for spaceflight use. The single-crystal silicon mirror technology is a previous innovation, but until now, a mirror of this type has not been qualified for spaceflight use. The qualification steps included mounting, gravity change measurements, vibration testing, vibration- induced change measurements, thermal cycling, and testing at the cold operational temperature of 225 K. Typical mirrors used for cold applications for spaceflight instruments include aluminum, beryllium, glasses, and glass-like ceramics. These materials show less than ideal behavior after cooldown. Single-crystal silicon has been demonstrated to have the smallest change due to temperature change, but has not been spaceflight-qualified for use. The advantage of using a silicon substrate is with temperature stability, since it is formed from a stress-free single crystal. This has been shown in previous testing. Mounting and environmental qualification have not been shown until this testing.

  5. Polycrystal deformation and single crystal deformation: Dislocation structure and flow stress in copper

    DEFF Research Database (Denmark)

    Huang, X.; Borrego, A.; Pantleon, W.


    The relation between the polycrystal deformation and single crystal deformation has been studied for pure polycrystalline copper deformed in tension. The dislocation microstructure has been analyzed for grains of different orientation by transmission electron microscopy (TEM) and three types...

  6. Single crystal particles of a mesoporous mixed transition metal oxide with a wormhole structure. (United States)

    Lee, B; Lu, D; Kondo, J N; Domen, K


    A new type of mesoporous mixed transition metal oxide of Nb and Ta (NbTa-TIT-1) has been prepared through a two-step calcination, which consists of single crystal particles with wormhole mesoporous structure.

  7. Polymerizable Ionic Liquid Crystals Comprising Polyoxometalate Clusters toward Inorganic-Organic Hybrid Solid Electrolytes

    Directory of Open Access Journals (Sweden)

    Takeru Ito


    Full Text Available Solid electrolytes are crucial materials for lithium-ion or fuel-cell battery technology due to their structural stability and easiness for handling. Emergence of high conductivity in solid electrolytes requires precise control of the composition and structure. A promising strategy toward highly-conductive solid electrolytes is employing a thermally-stable inorganic component and a structurally-flexible organic moiety to construct inorganic-organic hybrid materials. Ionic liquids as the organic component will be advantageous for the emergence of high conductivity, and polyoxometalate, such as heteropolyacids, are well-known as inorganic proton conductors. Here, newly-designed ionic liquid imidazolium cations, having a polymerizable methacryl group (denoted as MAImC1, were successfully hybridized with heteropolyanions of [PW12O40]3− (PW12 to form inorganic-organic hybrid monomers of MAImC1-PW12. The synthetic procedure of MAImC1-PW12 was a simple ion-exchange reaction, being generally applicable to several polyoxometalates, in principle. MAImC1-PW12 was obtained as single crystals, and its molecular and crystal structures were clearly revealed. Additionally, the hybrid monomer of MAImC1-PW12 was polymerized by a radical polymerization using AIBN as an initiator. Some of the resulting inorganic-organic hybrid polymers exhibited conductivity of 10−4 S·cm−1 order under humidified conditions at 313 K.

  8. A porous Cu(II) metal-organic framework: Synthesis, crystal structure and gas adsorption properties (United States)

    Li, Wu-Wu; Guo, Ying; Zhang, Wei-Hong


    Presented here is a new porous Cu(II) metal-organic framework, namely [Cu(tdc)(H2O)]n·n(DMA) (1 H2tdc = thiophene-2,5-dicarboxylic acid, DMA = N,N‧-dimethylacetamide), which was obtained by the self-assembly reaction of CuCl2 and H2tdc under solvothermal conditions. Single crystal X-ray diffraction analysis revealed that compound 1 features a 3D porous framework based on 1D chain structure subunits, and the 1D rhombohedral channels are occupied by the lattice DMA molecules. Gas adsorption studies reveal that this desolvated sample exhibit high uptake capacity for light hydrocarbons.

  9. Crystal growth, structural, low temperature thermoluminescence and mechanical properties of cubic fluoroperovskite single crystal (LiBaF3) (United States)

    Daniel, D. Joseph; Ramasamy, P.; Ramaseshan, R.; Kim, H. J.; Kim, Sunghwan; Bhagavannarayana, G.; Cheon, Jong-Kyu


    Polycrystalline compounds of LiBaF3 were synthesized using conventional solid state reaction route and the phase purity was confirmed using powder X-ray diffraction technique. Using vertical Bridgman technique single crystal was grown from melt. Rocking curve measurements have been carried out to study the structural perfection of the grown crystal. The single peak of diffraction curve clearly reveals that the grown crystal was free from the structural grain boundaries. The low temperature thermoluminescence of the X-ray irradiated sample has been analyzed and found four distinguishable peaks having maximum temperatures at 18, 115, 133 and 216 K. Activation energy (E) and frequency factor (s) for the individual peaks have been studied using Peak shape method and the computerized curve fitting method combining with the Tmax- TStop procedure. Nanoindentation technique was employed to study the mechanical behaviour of the crystal. The indentation modulus and Vickers hardness of the grown crystal have values of 135.15 GPa and 680.81 respectively, under the maximum indentation load of 10 mN.

  10. Zinc (tris) thiourea sulphate (ZTS): A single crystal neutron diffraction ...

    Indian Academy of Sciences (India)


    Nov 27, 2015 ... The crystal structure of ZTS has been determined by neutron diffraction with a final -value of 0.026. Using the structural parameters, the contributions from the structural groups to the linear optical susceptibility and linear electro-optic coefficients have been evaluated. Results showed a significant ...

  11. On the growth of calcium tartrate tetrahydrate single crystals

    Indian Academy of Sciences (India)

    . Calcium formate mixed with formic acid was taken as the supernatant solution. It was observed that the nucleation density was reduced and the size of the crystals was improved to a large extent compared to the conventional way of growing ...

  12. Page 1 . Growth of single crystals in silica gels 133 ...

    Indian Academy of Sciences (India)

    Glockber D A and Soest J E 1969 J. Chem. Phys. 51 3143. Henisch H K 1970 Crystal growth in gels (Pennsylvania : University Press). Henisch H K, Dennis J and Honoka J I 1965 J. Phys. Chem. Solids 26 439. Joshi M S and Antony A V 1978 J. Mater. Sci, 13 939. Shiojiri M., Kaito C, Saito Y, Murakami M and Kawamoto J ...

  13. Studies on the growth, structural, optical, mechanical properties of 8-hydroxyquinoline single crystal by vertical Bridgman technique

    Energy Technology Data Exchange (ETDEWEB)

    Prabhakaran, SP. [Crystal Growth and Thin Film Laboratory, Department of Physics, Bharathidasan University, Tiruchirappalli 620 024, Tamil Nadu (India); Babu, R. Ramesh, E-mail: [Crystal Growth and Thin Film Laboratory, Department of Physics, Bharathidasan University, Tiruchirappalli 620 024, Tamil Nadu (India); Velusamy, P.; Ramamurthi, K. [Crystal Growth and Thin Film Laboratory, Department of Physics, Bharathidasan University, Tiruchirappalli 620 024, Tamil Nadu (India)


    Highlights: {yields} Growth of bulk single crystal of 8-hydroxyquinoline (8-HQ) by vertical Bridgman technique for the first time. {yields} The crystalline perfection is reasonably good. {yields} The photoluminescence spectrum shows that the material is suitable for blue light emission. -- Abstract: Single crystal of organic nonlinear optical material, 8-hydroxyquinoline (8-HQ) of dimension 52 mm (length) x 12 mm (dia.) was grown from melt using vertical Bridgman technique. The crystal system of the material was confirmed by powder X-ray diffraction analysis. The crystalline perfection of the grown crystal was examined by high-resolution X-ray diffraction study. Low angular spread around 400'' of the diffraction curve and the low full width half maximum values show that the crystalline perfection is reasonably good. The recorded photoluminescence spectrum shows that the material is suitable for blue light emission. Optical transmittance for the UV and visible region was measured and mechanical strength was estimated from Vicker's microhardness test along the growth face of the grown crystal.

  14. Mesoporous Single-crystal CoSn(OH)6 Hollow Structures with Multilevel Interiors


    Wang, Zhiyu; Wang, Zichen; Wu, Haobin; Lou, Xiong Wen (David)


    Hollow nanostructures represent a unique class of functional nanomaterials with many applications. In this work, a one-pot and unusual ?pumpkin-carving? protocol is demonstrated for engineering mesoporous single-crystal hollow structures with multilevel interiors. Single-crystal CoSn(OH)6 nanoboxes with uniform size and porous shell are synthesized by fast growth of CoSn(OH)6 nanocubes and kinetically-controlled etching in alkaline medium. Detailed investigation on reaction course suggests th...

  15. High breakdown single-crystal GaN p-n diodes by molecular beam epitaxy (United States)

    Qi, Meng; Nomoto, Kazuki; Zhu, Mingda; Hu, Zongyang; Zhao, Yuning; Protasenko, Vladimir; Song, Bo; Yan, Xiaodong; Li, Guowang; Verma, Jai; Bader, Samuel; Fay, Patrick; Xing, Huili Grace; Jena, Debdeep


    Molecular beam epitaxy grown GaN p-n vertical diodes are demonstrated on single-crystal GaN substrates. A low leakage current GaN. Single-crystal GaN substrates with very low dislocation densities enable the low leakage current and the high breakdown field in the diodes, showing significant potential for MBE growth to attain near-intrinsic performance when the density of dislocations is low.

  16. Highly anisotropic decay rate of single quantum dots in photonic crystal membranes

    DEFF Research Database (Denmark)

    Wang, Qin; Stobbe, Søren; Nielsen, Henri Thyrrestrup


    We measured the variation of spontaneous emission rates with polarization for self-assembled single quantum-dots in photonic crystal membranes, and obtained a maximum anisotropy factor of 6 between decay rates of the two nondegenerate bright states.......We measured the variation of spontaneous emission rates with polarization for self-assembled single quantum-dots in photonic crystal membranes, and obtained a maximum anisotropy factor of 6 between decay rates of the two nondegenerate bright states....

  17. Structural and optical properties of europium doped zirconia single crystals fibers grown by laser floating zone


    Soares, M.R.N.; Nico, C.; Peres, M.; Ferreira, N.; Fernandes, A.J.S.; Monteiro, T.; COSTA, F.M.


    Yttria stabilized zirconia single crystal fibers doped with europium ions were developed envisaging optical applications. The laser floating zone technique was used in order to grow millimetric high quality single crystal fibers. The as-grown fibers are completely transparent and inclusion free, exhibiting a cubic structure. Under ultraviolet (UV) excitation, a broad emission band appears at 551 nm. The europium doped fibers are translucent with a tetragonal structure and exhibit an intense r...

  18. Surface and quasi-longitudinal acoustic waves in KTiOAsO₄ single crystals. (United States)

    Taziev, Rinat M


    Surface and quasi-longitudinal acoustic wave properties have been investigated in potassium titanyl arsenate (KTiOAsO₄, KTA) single crystals for the first time. Surface acoustic wave (SAW) velocity, electromechanical coupling coefficient and power flow angle characteristics have been obtained in rotated Y-cut of KTA crystals. High SAW electromechanical coupling coefficient (0.4%) is found in Z-cut of KTA crystals. For high-frequency devices it is promising the resonators on quasi-longitudinal acoustic wave in X-cut of KTA crystals with sharp response in interdigital transducer conductance at resonance frequency. Copyright © 2013 Elsevier B.V. All rights reserved.

  19. Electron irradiation effects on optical properties of semiorganic antimony thiourea bromide monohydrate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Mahesha Upadhya, K., E-mail: [Department of Physics, National Institute of Technology Karnataka, Surathkal, P.O. Srinivasnagar, Karnataka 575025 (India); Udayashankar, N.K. [Department of Physics, National Institute of Technology Karnataka, Surathkal, P.O. Srinivasnagar, Karnataka 575025 (India)


    Antimony thiourea bromide monohydrate (ATBM) single crystals were grown by solution growth technique at room temperature for the first time. The UV-vis, FT-IR and fluorescence spectra were recorded and electron irradiation effects on these properties were studied. The optical absorption edge of the UV-vis spectrum shifts towards lower wavelength with the increase of irradiation. The fluorescence quantum yield is increased for electron irradiated ATBM crystals. The FT-IR analysis shows that the water of crystallization is weakly bonded in as-grown and electron irradiated ATBM crystals.

  20. Organic styryl quinolinium crystal with aromatic anion bearing electron-rich vinyl group (United States)

    Lee, Seung-Heon; Yoo, Ba-Wool; Yun, Hoseop; Jazbinsek, Mojca; Kwon, O.-Pil


    A new organic π-conjugated quinolinium derivative was designed and synthesized in order to investigate the influence of the anion structure on characteristics of the crystal. The quinolinium derivative consists of a 2-(4-hydroxy-3-methoxystyryl)-1-methylquinolinium (HMQ) cation and a 4-vinylbenzenesulfonate (VBS) counter anion, which contains an electron-rich vinyl group. Single HMQ-VBS crystals, grown by a solution growth method in methanol, exhibited a monoclinic P21/c space group symmetry. Compared to the previously reported HMQ analogous crystal (HMQ-T), which bears a 4-methylbenzenesulfonate counter anion, the HMQ-VBS crystals generally have similar features of molecular alignment, but show different characteristics of hydrogen bonds related to the anion-anion and anion-cation interactions, as well as π-π stacking associated with the cation-cation interactions. Consequently, HMQ-VBS exhibits significantly different physical properties, including linear absorption and fluorescence in the crystalline state, even though these properties are identical to HMQ-T's in the solution state.

  1. High Performance Relaxor-Based Ferroelectric Single Crystals for Ultrasonic Transducer Applications

    Directory of Open Access Journals (Sweden)

    Yan Chen


    Full Text Available Relaxor-based ferroelectric single crystals Pb(Mg1/3Nb2/3O3-PbTiO3 (PMN-PT have drawn much attention in the ferroelectric field because of their excellent piezoelectric properties and high electromechanical coupling coefficients (d33~2000 pC/N, kt~60% near the morphotropic phase boundary (MPB. Ternary Pb(In1/2Nb1/2O3-Pb(Mg1/3Nb2/3O3-PbTiO3 (PIN-PMN-PT single crystals also possess outstanding performance comparable with PMN-PT single crystals, but have higher phase transition temperatures (rhombohedral to tetragonal Trt, and tetragonal to cubic Tc and larger coercive field Ec. Therefore, these relaxor-based single crystals have been extensively employed for ultrasonic transducer applications. In this paper, an overview of our work and perspectives on using PMN-PT and PIN-PMN-PT single crystals for ultrasonic transducer applications is presented. Various types of single-element ultrasonic transducers, including endoscopic transducers, intravascular transducers, high-frequency and high-temperature transducers fabricated using the PMN-PT and PIN-PMN-PT crystals and their 2-2 and 1-3 composites are reported. Besides, the fabrication and characterization of the array transducers, such as phased array, cylindrical shaped linear array, high-temperature linear array, radial endoscopic array, and annular array, are also addressed.

  2. Growth and characterization of Sm3+ doped cerium oxalate single crystals

    Directory of Open Access Journals (Sweden)

    Minu Mary C


    Full Text Available Single crystals of Sm3+ doped cerium oxalate decahydrate were synthesized using single diffusion gel technique and the conditions influencing the size, morphology, nucleation density and quality of the crystals were optimized. Highly transparent single crystals of average size 3 mm × 2 mm × 1 mm with well-defined hexagonal morphology were grown during a time period of two weeks. X-ray powder diffraction analysis revealed that the grown crystals crystallize in the monoclinic system with space group P21/c as identical with the pure cerium oxalate. The various functional groups of the oxalate ligand and the water of crystallization were identified by Fourier transform infrared spectroscopy. The photoluminescence spectrum of the Sm3+ doped cerium oxalate indicated that the Sm3+ ions are optically active in the cerium oxalate matrix. The crystal has a strong and efficient orange red emission with a wavelength peak at 595 nm and hence can be effectively used for optical amplification. Microhardness measurements of the crystal revealed that they belong to the soft material category.

  3. Results on the Coherent Interaction of High Energy Electrons and Photons in Oriented Single Crystals

    CERN Document Server

    Apyan, A.; Badelek, B.; Ballestrero, S.; Biino, C.; Birol, I.; Cenci, P.; Connell, S.H.; Eichblatt, S.; Fonseca, T.; Freund, A.; Gorini, B.; Groess, R.; Ispirian, K.; Ketel, T.J.; Kononets, Yu.V.; Lopez, A.; Mangiarotti, A.; van Rens, B.; Sellschop, J.P.F.; Shieh, M.; Sona, P.; Strakhovenko, V.; Uggerhoj, E.; Uggerhj, Ulrik Ingerslev; Unel, G.; Velasco, M.; Vilakazi, Z.Z.; Wessely, O.; Kononets, Yu.V.


    The CERN-NA-59 experiment examined a wide range of electromagnetic processes for multi-GeV electrons and photons interacting with oriented single crystals. The various types of crystals and their orientations were used for producing photon beams and for converting and measuring their polarisation. The radiation emitted by 178 GeV unpolarised electrons incident on a 1.5 cm thick Si crystal oriented in the Coherent Bremsstrahlung (CB) and the String-of-Strings (SOS) modes was used to obtain multi-GeV linearly polarised photon beams. A new crystal polarimetry technique was established for measuring the linear polarisation of the photon beam. The polarimeter is based on the dependence of the Coherent Pair Production (CPP) cross section in oriented single crystals on the direction of the photon polarisation with respect to the crystal plane. Both a 1 mm thick single crystal of Germanium and a 4 mm thick multi-tile set of synthetic Diamond crystals were used as analyzers of the linear polarisation. A birefringence ...

  4. Growth and characterization of bis thiourea cadmium iodide: A semiorganic single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Caroline, M. Lydia [Department of Physics, Bharath University, Selaiyur, Chennai 600073 (India)], E-mail:; Vasudevan, S. [Department of Physics, Easwari Engineering College, Ramapuram, Chennai 600089 (India)], E-mail:


    Single crystals of bis thiourea cadmium iodide[CdI{sub 2}(CH{sub 4}N{sub 2}S){sub 2}], abbreviated as BTCI, a semiorganic material has been successfully grown by both slow evaporation and slow cooling methods. Crystal of dimensions up to 3.3 x 1.0 x 1.5 cm{sup 3} is reported. Single crystal X-ray diffraction analysis has been carried out to confirm monoclinic system and etching studies for their perfection. The morphology of the grown crystal was also identified by single crystal X-ray diffraction analysis. The powder X-ray diffractogram of the crystal has been recorded and the various planes of reflection are identified. The presence of functional groups and the coordination of metal ions to thiourea were confirmed by FTIR analysis. Transmission spectra reveals that the crystal has low UV cutoff of 324 nm and has a good transmittance in the entire visible region enabling its use in optical applications. The thermal behaviour of the crystal has been investigated using thermogravimetric analysis (TGA) and differential thermal analysis (DTA), which indicates that the material does not decompose before melting. Studies of dielectric properties (dielectric constant and dielectric loss) both as function of frequencies (100 Hz to 5 MHz) for varying temperatures in the range 308-348 K suggests good candidate for electro optic modulators.

  5. Inducing uniform single-crystal like orientation in natural rubber with constrained uniaxial stretch. (United States)

    Zhou, Weiming; Meng, Lingpu; Lu, Jie; Wang, Zhen; Zhang, Wenhua; Huang, Ningdong; Chen, Liang; Li, Liangbin


    The effect of flow on crystallization is commonly attributed to entropic reduction, which is caused by stretch and orientation of polymer chains but overlooks the role of flow on final-state free energy. With the aid of in situ synchrotron radiation wide-angle X-ray diffraction (WAXD) and a homemade constrained uniaxial tensile testing machine, polycrystals possessing single-crystal-like orientation rather than uniaxial orientation are found during the constrained stretch of natural rubber, whereas the c-axis and a-axis align in the stretch direction (SD) and constrained direction (CD), respectively. Molecular dynamics simulation shows that aligning the a-axis of crystal nuclei in CD leads to the lowest free energy increase and favors crystal nucleation. This indicates that the nomenclature of strain-induced crystallization may not fully account for the nature of flow-induced crystallization (FIC) as strain mainly emphasizes the entropic reduction of initial melt, whereas stress rather than strain plays the dominant role in crystal deformation. The current work not only contributes to a comprehensive understanding of the mechanism of flow-induced crystallization but also demonstrates the potential application of constrained uniaxial tensile stretch for the creation of functional materials containing polycrystals that possess single-crystal-like orientation.

  6. Microstructure and Texture of Hydrostatic Extrusion Deformed Ni Single Crystals and Polycrystal

    Directory of Open Access Journals (Sweden)

    D. Jakubowska


    Full Text Available The differences in the microstructure and texture of two Ni single crystals, with different initial orientations (100 and 110, and of polycrystalline nickel, before and after severe plastic deformation (SPD produced by hydrostatic extrusion (HE, have been investigated. The crystals were deformed by a two-step HE process with a total deformation value of ε=1.2. The global texture, mechanical properties, and microstructure were examined after the deformation. In every investigated sample, the presence of 111 fibre texture was noted, while the starting orientation of a 100 Ni single crystal was preserved in 50% of the volume. The results obtained were compared with the relevant literature data.

  7. Method for single crystal growth of photovoltaic perovskite material and devices

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Jinsong; Dong, Qingfeng


    Systems and methods for perovskite single crystal growth include using a low temperature solution process that employs a temperature gradient in a perovskite solution in a container, also including at least one small perovskite single crystal, and a substrate in the solution upon which substrate a perovskite crystal nucleates and grows, in part due to the temperature gradient in the solution and in part due to a temperature gradient in the substrate. For example, a top portion of the substrate external to the solution may be cooled.

  8. Size effects on void growth in single crystals with distributed voids

    DEFF Research Database (Denmark)

    Borg, Ulrik; Niordson, Christian Frithiof; Kysar, J.W.


    The effect of void size on void growth in single crystals with uniformly distributed cylindrical voids is studied numerically using a finite deformation strain gradient crystal plasticity theory with an intrinsic length parameter. A plane strain cell model is analyzed for a single crystal...... with three in-plane slip systems. It is observed that small voids allow much larger overall stress levels than larger voids for all the stress triaxialities considered. The amount of void growth is found to be suppressed for smaller voids at low stress triaxialities. Significant differences are observed...

  9. Antiferromagnetic transition in EuCu sub 2 Ge sub 2 single crystals

    CERN Document Server

    Hossain, Z; Yuan, H Q; Sparn, G


    Single crystals of EuCu sub 2 Ge sub 2 were grown and characterized using electrical resistivity, magnetization, specific heat and magnetoresistance measurements. The crystals exhibit antiferromagnetic transitions at T sub N sub 1 = 9 K and T sub N sub 2 = 5 K. The T sub N of the flux-grown single crystals reported here are lower than that reported for the polycrystalline sample (T sub N = 13 K) in the literature (Felner and Nowik 1978 J. Phys. Chem. Solids 39 763). The magnetoresistance is positive in the ordered state and negative in the paramagnetic state. The magnetic order could not be suppressed up to a pressure of 25 kbar.

  10. Growth of BPO 4 single crystals from Li 2O-MoO 3 flux (United States)

    Zhang, Shufeng; Zhang, Erpan; Fu, Peizhen; Wu, Yicheng


    A new flux system, Li 2O-MoO 3, has been applied to growing BPO 4 single crystals. Transparent BPO 4 single crystals with sizes up to 31×18×16 mm 3 have been successfully grown from the new flux by the top-seeded solution growth method. The viscosity of solution using this new flux decreased significantly compared with that of previously utilized Li 4P 2O 7-Li 2O flux. The solubility was measured and favorable concentration for BPO 4 crystal growth was in the range of 55-64%. The powder SHG effect of as-grown BPO 4 crystal was observed and its intensity was about twice as large as that of KDP. The laser damage threshold of BPO 4 crystal at λ=1.064 nm and τ=8.0 ns is about 10.3 GW/cm 2.

  11. An optical, electro-optic and thermal characterisation of various organic crystals

    CERN Document Server

    Lochran, S


    The organic materials S - 3 - methyl - 5 - nitro - N - (1 - phenylethyl) - 2 - pyridinamine [3- methyl-MBANP] and S - N - methyl - 5 - nitro - N -(1 - phenylethyl) - 2 - pyridinamine [N- methyl-MBANP] belong to a family of compounds based on the 2-(alpha-methylbenzylamino)-5- nitropyridine molecule and were identified as promising nonlinear optical materials by the powder disk test. Large single crystals were grown from solution for N-methyl-MBANP, which crystallises in a monoclinic space group, and from the melt and solution for 3-methyl-MBANP which crystallises in an orthorhombic space group. Orthoscopic examination of N-methyl-MBANP revealed no dispersion of the dielectric axes unlike the parent molecule and the position of the dielectric axes was correlated with the molecular structure. Preparation of prisms from single crystals of both materials facilitated the measurement of refractive indices in the visible and the near infra-red. The values obtained were correlated with the crystal structure and a Sel...

  12. Synthesis, crystal structure and luminescent properties of a new samarium-fluorescein metal-organic framework (United States)

    Thomas, Jesty; Ambili, K. S.


    A new metal-organic framework with empirical formula C43H30NO12Sm was solvothermally synthesized using SmCl3, fluorescein and N, N-Dimethyl formamide (DMF) and characterized by single crystal X-ray diffraction, powder X-ray diffraction, infrared spectroscopy, UV-Visible spectroscopy, scanning electron microscopy, optical microscopy, photoluminescence spectroscopy, CHN elemental analysis and thermogravimetric analysis. Single crystal X-ray diffraction revealed that the crystal structure belongs to the triclinic system, P-1 space group with a = 12.113 (6) Å, b = 12.1734 (7) Å, c = 13.2760(8) Å, α = 67.930(3)⁰, β = 87.779(3)⁰, γ = 77.603(3)⁰ and V = 1769.71 (17) Å3. The photoluminescence spectrum showed emission peaks at 550 nm, 600 nm and 647 nm due to the characteristic transitions 4G5/2 to 6H5/2, 4G5/2 to 6H7/2 and 4G5/2 to 6H9/2 respectively, when excited at 398 nm.

  13. Pyroelectric properties and conduction mechanism in solution grown glycine sodium nitrate single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Tyagi, Nidhi [Crystal Lab, Department of Physics & Astrophysics, University of Delhi, Delhi 7 (India); Sinha, Nidhi [Crystal Lab, Department of Physics & Astrophysics, University of Delhi, Delhi 7 (India); Department of Electronics, SGTB Khalsa College, University of Delhi, Delhi 7 (India); Yadav, Harsh [Crystal Lab, Department of Physics & Astrophysics, University of Delhi, Delhi 7 (India); Kumar, Binay, E-mail: [Crystal Lab, Department of Physics & Astrophysics, University of Delhi, Delhi 7 (India)


    Nonlinear optical “glycine sodium nitrate” transparent single crystals were grown from aqueous solution by the solvent evaporation technique. The ferroelectric transition temperature was determined by dielectric measurement for GSN crystal. Temperature dependent pyroelectric coefficient and figure of merit were measured. The conduction mechanism of GSN crystal has been discussed. The ln σ−E{sup 1/2} characteristic in the high-field region supports dominating the Poole–Frenkel conduction while in the low field region; there are possibility of both Richardson–Schottky and Poole–Frenkel conduction mechanism. The activation energy of GSN crystal was found to be 0.58 eV. A low value of dielectric constant and good value of the figure of merit suggest the GSN crystal more promising for IR sensing applications. Hardness value shows the stability of GSN crystal.

  14. Growth and characterization of pure and KCl doped zinc thiourea chloride (ZTC) single crystals. (United States)

    Ruby Nirmala, L; Thomas Joseph Prakash, J


    Potassium Chloride (KCl) as an additive is added into zinc thiourea chloride solution in a small amount (1M%) by the method of slow evaporation solution growth technique at room temperature to get a new crystal. Due to the doping of the impurities on the crystals, remarkable changes in the physical properties were obtained. The grown crystals have been subjected to different instrumentation methods. The incorporation of the amount of potassium and zinc in the crystal lattices has been determined by AAS method. The lattice dimensions have been identified from single crystal X-ray diffraction measurements. The presence of functional group for the grown crystals has been identified by FTIR analysis. The optical, thermal and mechanical behaviors have been assessed by UV-Vis, TG/DTA and Vickers hardness methods respectively. The presence of dislocations of atoms has been identified by etching studies. Copyright © 2012 Elsevier B.V. All rights reserved.

  15. Site selective Cu2+ substitution in single crystal Fe3O4 biocompatible nanospheres by solvothermal reflux method (United States)

    Manohar, A.; Krishnamoorthi, C.


    Transition metal cations distribution among tetrahedral and octahedral sites in Fe3O4 has profound influence on it properties. The cations distribution among these sites were influenced by crystal field stabilization energy (CFSE) of a substituent ion. It was reported that Cu2+ substitutes both Fe3+ in tetrahedral and Fe2+ in octahedral sites of magnetite though it has high CFSE for octahedral sites. Thus it promotes mixed (normal & inverse) spinel structure and hence the properties deviate from the prediction. Here we show that selective octahedral site substitution of Fe2+ by Cu2+ in single crystal Fe3O4 nanoparticles was possible by solvothermal reflux method at moderate temperatures (≈300 °C). It was attributed to reduced energy barrier for crystallization and high diffusion coefficient of the metal cations at moderate temperature in low viscous organic solvents mixture, at ambient pressure, compared to coprecipitation and solid state reaction protocols. In addition, effective removal of exothermic crystal lattice energy, released during nucleation and growth process, by natural gas bubbles formed in the reflux organic solvent mixture. This promotes effective diffusion of cations during the growth process and easy octahedral occupation by Cu2+ in Fe1-xCuxFe2O4 (x = 0, 0.1, 0.2, 0.3, 0.4, 0.5 & 0.6) single crystal nanospheres. The octahedral substitution was confirmed by reduction of crystal lattice parameter as well as ferromagnetic strength of octahedral sublattice with enhanced Cu2+ concentration. In addition, morphology, lattice vibrational frequency and electron excitation spectra of the nanospheres were studied. The Langevin function fit analysis reveals that superparamagnetic domain diameter were slightly less than the particle diameter obtained from TEM micrograph.

  16. D.C. electrical conductivity measurements on ADP single crystals ...

    Indian Academy of Sciences (India)


    exceed 10–2 so that in real cases with concentration of in- terstitials of the order of 1015–1020 cm–3, (1–f) ≈ 1 (Bunget and Popescu 1984). The electrical conduction in (NH4)H2PO4 crystals can be understood as due to proton as in the case of KH2PO4. The conduction is mainly due to the anions, viz. (H2PO4)–1.

  17. Single crystal growth of europium and ytterbium based intermetallic ...

    Indian Academy of Sciences (India)

    to dissolve the excess metal flux. Due to its low melting temperature of 156.6. ◦. C, indium is an ideal metal for use as a reactive flux (self- flux condition). It has widely been used for the synthe- sis and crystal growth of indium-rich binary and ternary indides. In many cases, a slight excess of indium sig- nificantly increases the ...

  18. Magmatic Processes and Systems Deduced from Single Crystals (United States)

    Davidson, J.; Bezard, R. C.; Morgan, D. J.; Ginibre, C.


    When crystals grow in liquids the composition of their outermost layer will reflect that of the host with which they are in equilibrium and will therefore record the liquid composition, pressure and temperature.. Following separation from their sources, magmas differentiate. This change in liquid composition is driven largely by crystallisation in response to cooling or decompression. Other open system processes such as mixing and contamination are common. These can lead to abrupt changes in trace element and isotopic composition, accompanied by petrographic features, such as dissolution surfaces or zones of melt inclusions. Where such careful mineral-scale studies have been performed, the prevalence of open system processes is clear. In many cases these are shown by core-rim isotopic variations. Crystal-scale compositional variations in the context of whole rock compositions and petrography have allowed us to show crustal assimilation even from regions of supposedly oceanic crust such as the Lesser Antilles. In tandem with tracking magma evolution, core-rim analyses of appropriate crystals have also provided diffusion profiles which reflect timescales of magmatic processes. A key point, long recognised by Bruce Marsh, is that in situ geochemical data should be considered in a petrographic context in order to gain the most (and most credible) insights on the workings of magma systems from hand specimen to whole volcano/pluton scales: The petrographic microscope is not dead yet Identification of magmatic processes from in situ scrutiny allows us to synthesise the architectures and inner workings of magma systems. The evidence for interaction among magmas in many systems is compelling and suggests that many exist as stacked dike-sill arrangements with wall-rock focussed crystal growth and mush zones. These are consistent with many of the systematics suggested some time ago by Bruce Marsh

  19. Structural, optical and dielectric studies of lithium sulphate monohydrate single crystals

    Directory of Open Access Journals (Sweden)

    Najar F.A.


    Full Text Available Optical, dielectric, and thermal properties of lithium sulphate monohydrate crystals grown by slow evaporation method have been studied. The crystal structure was resolved by direct methods using single crystal X-ray diffraction data collected at room temperature and refined by full-matrix least-squares procedures to a final R-value of 0.0174. Plasma energy, Penn gap, Fermi energy and electronic polarizability of the grown crystal were calculated from single crystal XRD data. The electronic polarizability of lithium sulfate monohydrate was also calculated and compared with the theoretical data using Clausius-Mossotti equation. Optical band gap calculated from optical data for the grown crystal is 4.49 eV. Fourier Transform Infrared Spectroscopy study confirmed the presence of water in the crystal structure. The AC conductivity, dielectric constant and dielectric loss of the grown crystal were systemically investigated, showing a peak at about 130 °C which could be attributed to the water molecules in the crystal structure. The anomalous dielectric properties shown by the crystal have been correlated with its thermal behavior. The title crystal obeys Jonscher’s power law relation; σ(ω = σo+ Aωs, with temperature dependent exponent s < 1. The activation energy calculated for the material is 0.24 eV and suggests protonic conduction by hopping mechanism in addition to cationic conduction by lithium ions. The micro-indentation study was also carried out which revealed that the crystal belongs to a category of soft materials.

  20. Nanosecond X-ray detector based on high resistivity ZnO single crystal semiconductor (United States)

    Zhao, Xiaolong; Chen, Liang; He, Yongning; Liu, Jinliang; Peng, Wenbo; Huang, Zhiyong; Qi, Xiaomeng; Pan, Zijian; Zhang, Wenting; Zhang, Zhongbing; Ouyang, Xiaoping


    The pulse radiation detectors are sorely needed in the fields of nuclear reaction monitoring, material analysis, astronomy study, spacecraft navigation, and space communication. In this work, we demonstrate a nanosecond X-ray detector based on ZnO single crystal semiconductor, which emerges as a promising compound-semiconductor radiation detection material for its high radiation tolerance and advanced large-size bulk crystal growth technique. The resistivity of the ZnO single crystal is as high as 1013 Ω cm due to the compensation of the donor defects (VO) and acceptor defects (VZn and Oi) after high temperature annealing in oxygen. The photoconductive X-ray detector was fabricated using the high resistivity ZnO single crystal. The rise time and fall time of the detector to a 10 ps pulse electron beam are 0.8 ns and 3.3 ns, respectively, indicating great potential for ultrafast X-ray detection applications.

  1. Eutectic Formation During Solidification of Ni-Based Single-Crystal Superalloys with Additional Carbon (United States)

    Wang, Fu; Ma, Dexin; Bührig-Polaczek, Andreas


    γ/ γ' eutectics' nucleation behavior during the solidification of a single-crystal superalloy with additional carbon was investigated by using directional solidification quenching method. The results show that the nucleation of the γ/ γ' eutectics can directly occur on the existing γ dendrites, directly in the remaining liquid, or on the primary MC-type carbides. The γ/γ' eutectics formed through the latter two mechanisms have different crystal orientations than that of the γ matrix. This suggests that the conventional Ni-based single-crystal superalloy castings with additional carbon only guarantee the monocrystallinity of the γ matrix and some γ/ γ' eutectics and, in addition to the carbides, there are other misoriented polycrystalline microstructures existing in macroscopically considered "single-crystal" superalloy castings.

  2. Low trap-state density and long carrier diffusion in organolead trihalide perovskite single crystals

    KAUST Repository

    Shi, Dong


    The fundamental properties and ultimate performance limits of organolead trihalide MAPbX3(MA = CH3NH3 +; X = Br- or I- ) perovskites remain obscured by extensive disorder in polycrystalline MAPbX3 films. We report an antisolvent vapor-assisted crystallization approach that enables us to create sizable crack-free MAPbX3 single crystals with volumes exceeding 100 cubic millimeters. These large single crystals enabled a detailed characterization of their optical and charge transport characteristics.We observed exceptionally low trap-state densities on the order of 109 to 1010 per cubic centimeter in MAPbX3 single crystals (comparable to the best photovoltaic-quality silicon) and charge carrier diffusion lengths exceeding 10 micrometers. These results were validated with density functional theory calculations.

  3. Nucleation of domain walls in iron garnet single crystals grown from liquid phase epitaxy (United States)

    Shirai, Kazushi; Ishikura, Kenji; Takeda, Norio


    When bismuth-substituted iron garnet (RBi)IG single crystals grown from liquid-phase-epitaxy (LPE) are magnetized, the magnetic domain structure gradually evolves. However the domain-wall nucleation that occurs during the demagnetization is not yet understood clearly. This phenomenon is important, because the working of some optical devices that utilize (RBi)IG single crystals depends directly on the formation of domains of opposite direction. In this paper, the authors present a theoretical description of domain-wall nucleation in LPE-grown (RBi)IG single crystals. It was found that the nucleation field is determined by the strength of the microscopic domain-wall which is fixed on the surface of the crystal. Furthermore, the nucleation field is modified by the addition of a magnetic field.

  4. High-pressure catalytic reactions over single-crystal metal surfaces (United States)

    Rodriguez, JoséA.; Wayne Goodman, D.


    Studies dealing with high-pressure catalytic reactions over single-crystal surfaces are reviewed. The coupling of an apparatus for the measurement of reaction kinetics at elevated pressures with an ultrahigh vacuum system for surface analysis allows detailed study of structure sensitivity, the effects of promoters and inhibitors on catalytic activity, and, in certain cases, identification of reaction intermediates by post-reaction surface analysis. Examples are provided which demonstrate the relevance of single-crystal studies for modeling the behaviour of high-surface-area supported catalysts. Studies of CO methanation and CO oxidation over single-crystal surfaces provide convincing evidence that these reactions are structure insensitive. For structure-sensitive reactions (ammonia synthesis, alkane hydrogenolysis, alkane isomerization, water-gas shift reaction, etc.) model single-crystal studies allow correlations to be established between surface structure and catalytic activity. The effects of both electronegative (S and P) and electropositive (alkali metals) impurities upon the catalytic activity of metal single crystals for ammonia synthesis, CO methanation, alkane hydrogenolysis, ethylene epoxidation and water-gas shift are discussed. The roles of "ensemble" and "ligand" effects in bimetallic catalysts are examined in light of data obtained using surfaces prepared by vapor-depositing one metal onto a crystal face of a dissimilar metal.

  5. Ultralow Self-Doping in 2D Hybrid Perovskite Single Crystals

    KAUST Repository

    Peng, Wei


    Unintentional self-doping in semiconductors through shallow defects is detrimental to optoelectronic device performance. It adversely affects junction properties and it introduces electronic noise. This is especially acute for solution-processed semiconductors, including hybrid perovskites, which are usually high in defects due to rapid crystallization. Here, we uncover extremely low self-doping concentrations in single crystals of (C6H5C2H4NH3)2PbI4・(CH3NH3PbI3)n-1 (n=1, 2, and 3)—over three orders of magnitude lower than those of typical three-dimensional hybrid perovskites—by analyzing their conductivity behavior. We propose that crystallization of hybrid perovskites containing large organic cations suppresses defect formation and thus favors a low self-doping level. To exemplify the benefits of this effect, we demonstrate extraordinarily high light-detectivity (1013 Jones) in (C6H5C2H4NH3)2PbI4・(CH3NH3PbI3)n-1 photoconductors due to the reduced electronic noise, which makes them particularly attractive for the detection of weak light signals. Furthermore, the low self-doping concentration reduces the equilibrium charge carrier concentration in (C6H5C2H4NH3)2PbI4・(CH3NH3PbI3)n-1, advantageous in the design of p-i-n heterojunction solar cells by optimizing band alignment and promoting carrier depletion in the intrinsic perovskite layer, thereby enhancing charge extraction.

  6. Single crystal growth and nonlinear optical properties of Nd3+ doped STGS crystal for self-frequency-doubling application (United States)

    Chen, Feifei; Wang, Lijuan; Wang, Xinle; Cheng, Xiufeng; Yu, Fapeng; Wang, Zhengping; Zhao, Xian


    The self-frequency-doubling crystal is an important kind of multi-functional crystal materials. In this work, Nd3+ doped Sr3TaGa3Si2O14 (Nd:STGS) single crystals were successfully grown by using Czochralski pulling method, in addition, the nonlinear and laser-frequency-doubling properties of Nd:STGS crystals were studied. The continuous-wave laser at 1064 nm was demonstrated along different physical axes, where the maximum output power was obtained to be 295 mW for the Z-cut samples, much higher than the Y-cut (242 mW) and X-cut (217 mW) samples. Based on the measured refractive indexes, the phase matching directions were discussed and determined for type I (42.5°, 30°) and type II (69.5°, 0°) crystal cuts. As expected, self-frequency-doubling green laser at 529 nm was achieved with output powers being around 16 mW and 12 mW for type I and type II configurations, respectively.

  7. Evidence for self-organized formation of logarithmic spirals during explosive crystallization of amorphous Ge:Mn layers (United States)

    Bürger, Danilo; Baunack, Stefan; Thomas, Jürgen; Oswald, Steffen; Wendrock, Horst; Rebohle, Lars; Schumann, Thomas; Skorupa, Wolfgang; Blaschke, Daniel; Gemming, Thomas; Schmidt, Oliver G.; Schmidt, Heidemarie


    Logarithmic spirals are found on different length scales in nature, e.g., in nautilus shells, cyclones, and galaxies. The underlying formation laws can be related to different growth mechanisms, pressure gradients, and density waves. Here, we report on the self-organized formation of symmetric logarithmic crystallization spirals in a solid material on the micrometer length scale, namely, in an amorphous Ge:Mn layer on a Ge substrate. After exposure to a single light pulse of a flashlamp array, the Ge:Mn layer is crystallized and reveals a partially rippled surface and logarithmic microspirals. Finally, we present a model describing the formation of the crystallization spirals by directional explosive crystallization of the amorphous Ge:Mn layer, which is triggered by the flashlamp light pulse.

  8. Structure, function, and self-assembly of single network gyroid (I4132) photonic crystals in butterfly wing scales (United States)

    Saranathan, Vinodkumar; Osuji, Chinedum O.; Mochrie, Simon G. J.; Noh, Heeso; Narayanan, Suresh; Sandy, Alec; Dufresne, Eric R.; Prum, Richard O.


    Complex three-dimensional biophotonic nanostructures produce the vivid structural colors of many butterfly wing scales, but their exact nanoscale organization is uncertain. We used small angle X-ray scattering (SAXS) on single scales to characterize the 3D photonic nanostructures of five butterfly species from two families (Papilionidae, Lycaenidae). We identify these chitin and air nanostructures as single network gyroid (I4132) photonic crystals. We describe their optical function from SAXS data and photonic band-gap modeling. Butterflies apparently grow these gyroid nanostructures by exploiting the self-organizing physical dynamics of biological lipid-bilayer membranes. These butterfly photonic nanostructures initially develop within scale cells as a core-shell double gyroid (Ia3d), as seen in block-copolymer systems, with a pentacontinuous volume comprised of extracellular space, cell plasma membrane, cellular cytoplasm, smooth endoplasmic reticulum (SER) membrane, and intra-SER lumen. This double gyroid nanostructure is subsequently transformed into a single gyroid network through the deposition of chitin in the extracellular space and the degeneration of the rest of the cell. The butterflies develop the thermodynamically favored double gyroid precursors as a route to the optically more efficient single gyroid nanostructures. Current approaches to photonic crystal engineering also aim to produce single gyroid motifs. The biologically derived photonic nanostructures characterized here may offer a convenient template for producing optical devices based on biomimicry or direct dielectric infiltration. PMID:20547870

  9. Enhanced optical, thermal and piezoelectric behavior in dye doped potassium acid phthalate (KAP) single crystal (United States)

    Rao, G. Babu; Rajesh, P.; Ramasamy, P.


    Dye inclusion crystals have attracted researchers in the context of crystal growth for applications in solid state lasers. Pure and 0.1 mol% amaranth doped KAP single crystals, were grown from aqueous solutions by slow evaporation technique at room temperature. The grown crystals are up to the dimension of 12×10×3 mm3. Attempt is made to improve the growth rate, optical, piezoelectric and photoconductive properties of pure KAP single crystal with addition of amaranth dye as a dopant. Various characterization studies were made for both pure and dye doped KAP. Thermal stability of the crystals is tested from thermogravimetric and differential thermal analysis (TG/DTA). There is only one endothermic peak indicating decomposition point. Higher optical transparency for dye doped KAP crystal was identified from the UV-vis spectrum. Etching studies showed an improvement in the optical quality of the KAP crystal after doping with amaranth dye. The positive photoconductive nature is observed from both pure and amaranth doped KAP.

  10. Single crystal studies of platinum alloys for oxygen reduction electrodes

    DEFF Research Database (Denmark)

    Ulrikkeholm, Elisabeth Therese

    the electrochemical experiments showed overlayers with a thickness of approximately 15 Å had been formed. It was possible to investigate the structure of these overlayers using Gracing Incident X-ray Diffraction, GIXRD. These experiments were performed at the Stanford Synchrotron Radiation Lightsource. The GIXRD......In this thesis the discovery, characterization and testing of new catalysts for the oxygen reduction reaction (ORR) is investigated. Experiments on sputter cleaned, polycrystalline Pt5Y and Pt5Gd crystals have shown that these alloys are excelent candidates for catalysts for the ORR. To mimic...

  11. A = Rb, K: Single crystal X-ray diffraction studies

    Indian Academy of Sciences (India)


    Abstract. The crystal structure of ferroelastic Rb4Li(HSO4)3(SO4) has been deter- mined at two temperatures, which indicates a structural phase transition, tetragonal. P43 with a = 7⋅629(1) Е , c = 29⋅497(2) Е at 293 K and monoclinic P21 with a = 7⋅583(3) Е , b = 29⋅230(19) Е , c = 7⋅536(5) Е , β = 90⋅14(1)° at 90 K.

  12. Single-Crystal Bismuth Iodide Gamma-Ray Spectrometers (United States)


    band gap of 1.730 ± 0.005 eV.52-53 Jellison eta/. used two- modulator generalized ellipsometry to determine ordinary and extraordinary band gaps of 1.991...quality is not comparable to the commercial CdTe and CZT crystals. While the material was observed to be sensitive to radiation (alphas, gamma-rays, and...simulation of CdTe vertical Bridgman growth," J. Cryst. Growth, 173 [3-4] 352-366 (1997). 50 16.A. Bachran, P. Reinshaus, and W. Seifert, "Influence

  13. Hydrothermal synthesis of single crystals of transition metal vanadates in the glaserite phase

    Energy Technology Data Exchange (ETDEWEB)

    Sanjeewa, Liurukara D.; McMillen, Colin D.; Willett, Daniel; Chumanov, George; Kolis, Joseph W., E-mail:


    A series of transition metal vanadate crystals were prepared using a high temperature (580 °C) hydrothermal method. The compounds all had the general formula A{sub 2}AEM(VO{sub 4}){sub 2} (A=K, Na, Li; AE=Ba, Sr; M=Co, Fe, Mn). They are all variations of the glaserite structural type and range in symmetry from P-3m1 to P-3 to P2{sub 1}/c. Most of the derivatives contain a planar three-fold rotation operation, making them possible spin frustration candidates. Single crystal structural analyses were performed on many of the derivatives to obtain a detailed understanding of the distortions of the tetrahedral building blocks that accommodate the symmetry distortions. A hydrothermal growth method was developed to grow high quality single crystals of sizes up to 2–3 mm/edge. This method can be generalized for large crystal growth to enable magnetic and neutron diffraction studies that require relatively large single crystals. - Highlights: • The hydrothermal synthesis of glaserite-type vanadates is demonstrated. • Synthesis from stoichiometric component reactions yields 0.2–0.5 mm size crystals. • Hydrothermal recrystallization of glaserite powder yields 2–3 mm size crystals. • The structure varies according to the alkali and alkaline earth metals selected. • Ideal (P-3m1) and distorted (P-3 and P2{sub 1}/c) glaserite structures are observed.

  14. Tunneling and Origin of Large Access Resistance in Layered-Crystal Organic Transistors (United States)

    Hamai, Takamasa; Arai, Shunto; Minemawari, Hiromi; Inoue, Satoru; Kumai, Reiji; Hasegawa, Tatsuo


    Layered crystallinity of organic semiconductors is crucial to obtaining high-performance organic thin-film transistors (OTFTs), as it allows both smooth-channel-gate-insulator interface formation and efficient two-dimensional carrier transport along the interface. However, the role of vertical transport across the crystalline molecular layers in device operations has not been a crucial subject so far. Here, we show that the interlayer carrier transport causes unusual nonlinear current-voltage characteristics and enormous access resistance in extremely high-quality single-crystal OTFTs based on 2-decyl-7-phenyl[1]-benzothieno[3 ,2 -b ][1]benzothiophene (Ph -BTBT -C10 ) that involve inherent multiple semiconducting π -conjugated layers interposed, respectively, by electrically inert alkyl-chain layers. The output characteristics present layer-number (n )-dependent nonlinearity that becomes more evident at larger n (1 ≤n ≤15 ), demonstrating tunneling across multiple alkyl-chain layers. The n -dependent device mobility and four-probe measurements reveal that the alkyl-chain layers generate a large access resistance that suppresses the device mobility from the intrinsic value of about 20 cm2 V-1 s-1 . Our findings clarify the reason why device characteristics are distributed in single-crystal OTFTs.

  15. Bending of a single crystal : discrete dislocation and nonlocal crystal plasticity simulations

    NARCIS (Netherlands)

    Yefimov, S.; Giessen, E. van der; Groma, I.; Groma, [No Value


    We have recently proposed a nonlocal continuum crystal plasticity theory that is based on a statistical-mechanics description of the collective behaviour of dislocations. Kinetic equations for the dislocation density fields have been derived from the equation of motion of individual dislocations and

  16. Modes of an endlessly single-mode photonic crystal fiber: a finite element investigation

    NARCIS (Netherlands)

    Uranus, H.P.; Hoekstra, Hugo; van Groesen, Embrecht W.C.


    Using a finite-element mode solver, the modes of a commercial endlessly single-mode photonic crystal fiber (ESM-PCF) were investigated. Based on the loss discrimination between the dominant and the nearest higher order mode, we set-up a criterion for the single-modeness. Using that measure, we

  17. Lattice phonons of coronene single crystal polymorphs: a theoretical approach (United States)

    Bannister, Nicola; da Como, Enrico; Crampin, Simon

    Coronene, a polyaromatic carbon based molecule of disk shape, exhibits a range of peculiar physical properties from room temperature phosphorescence to superconductivity. The fundamental interest in this molecule is linked to its diamagnetism, originating from the delocalized pi electrons. Recently, we reported the discovery of a new crystal structure of coronene, the beta phase, apparently favoured by the presence of an external magnetic field during crystal growth. Ab-initio density functional theory (DFT) calculations of the lattice energy for the two coronene polymorphs, the known gamma and the new beta phase, indicate that the latter has a lower energy minimum and thus should be favoured. Instead experimentally we find that the gamma phase is stable at room temperature and converts into beta at 150K. This observation calls for a more complete description of the relative energetic stability of the polymorphs including the role of phonons. We present our efforts in describing the lattice phonons of the two structures by performing DFT simulations and comparing them with data from low frequency Raman spectroscopy.

  18. Facet-Dependent Photoreduction on Single ZnO Crystals (United States)


    Photocatalytic reactions occur at the crystal–solution interface, and hence specific crystal facet expression and surface defects can play an important role. Here we investigate the structure-related photoreduction at zinc oxide (ZnO) microparticles via integrated light and electron microscopy in combination with silver metal photodeposition. This enables a direct visualization of the photoreduction activity at specific crystallographic features. It is found that silver nanoparticle photodeposition on dumbbell-shaped crystals mainly takes place at the edges of O-terminated (0001̅) polar facets. In contrast, on ZnO microrods photodeposition is more homogeneously distributed with an increased activity at {101̅1̅} facets. Additional time-resolved measurements reveal a direct spatial link between the enhanced photoactivity and increased charge carrier lifetimes. These findings contradict previous observations based on indirect, bulk-scale experiments, assigning the highest photocatalytic activity to polar facets. The presented research demonstrates the need for advanced microscopy techniques to directly probe the location of photocatalytic activity. PMID:28001412

  19. Two convenient low-temperature routes to single crystals of plutonium dioxide

    Energy Technology Data Exchange (ETDEWEB)

    Meredith, Nathan A. [Departments of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556 (United States); Wang, Shuao; Diwu, Juan [School of Radiation Medicine and Protection and School of Radiological and Interdisciplinary Sciences, Soochow University, Suzhou, Jiangsu 215123 (China); Albrecht-Schmitt, Thomas E., E-mail: [Department of Chemistry and Biochemistry, Florida State University, Tallahassee, FL 32306 (United States)


    Highlights: • Two low-temperature routes to the growth single crystals of plutonium dioxide. • Safer methods of preparing PuO{sub 2} single crystals that do not involve solid-state synthetic techniques. • Solvothermal crystal growth of plutonium dioxide. - Abstract: During the solvothermal synthesis of a low-dimensional borate, KB{sub 5}O{sub 7}(OH){sub 2}⋅2H{sub 2}O, in the presence of Pu(III), single crystals of plutonium dioxide unexpectedly formed. Single crystals of PuO{sub 2} also formed during the hydrothermal synthesis of another borate, Na{sub 2}B{sub 5}O{sub 8}(OH)⋅2H{sub 2}O, in the presence of Pu(III). The reactions were conducted at 170 °C and 150 °C, respectively, which are much lower temperature than previously reported preparations of crystalline PuO{sub 2}. Yellow–green crystals with a tablet habit were characterized by single crystal X-ray diffraction and solid-state UV–vis–NIR absorption spectroscopy. The crystal structure was solved by direct methods with R{sub 1} = 1.26% for 19 unique observed reflections. PuO{sub 2} is cubic, space group Fm3{sup ‾}m, and adopts the fluorite structure type. The lattice parameter was determined to be a = 5.421(5) Å giving a volume of 159.3(2) Å{sup 3}. The absorption spectrum is consistent with Pu(IV)

  20. A finite element characterization of a commercial endlessly single-mode photonic crystal fiber: is it really single mode?

    NARCIS (Netherlands)

    Uranus, H.P.; Hoekstra, Hugo; van Groesen, Embrecht W.C.


    One of interesting properties of photonic crystal fibers (PCFs) is their possibility to be single-moded over a wide wavelength range, down to UV, while still having a reasonably large modal profile. Such properties are attractive for applications like optical sensing, interferometry, and transport

  1. Comparison of High Temperature Crystal Lattice and Bulk Thermal Expansion Measurements of LGT Single Crystal

    Energy Technology Data Exchange (ETDEWEB)

    Beaucage, Timothy R [University of Maine; Beenfeldt, Eric P [University of Maine; Speakman, Scott A [ORNL; Porter, Wallace D [ORNL; Payzant, E Andrew [ORNL; Pereira da Cunha, Mauricio [University of Maine


    Among the langasite family of crystals (LGX), the three most popular materials are langasite (LGS, La3Ga5SiO14), langatate (LGT, La3Ga5.5Ta0.5O14) and langanite (LGN, La3Ga5.5Nb0.5O14). The LGX crystals have received significant attention for acoustic wave (AW) device applications due to several properties, which include: (1) piezoelectric constants about two and a half times those of quartz, thus allowing the design of larger bandwidth filters; (2) existence of temperature compensated orientations; (3) high density, with potential for reduced vibration and acceleration sensitivity; and (4) possibility of operation at high temperatures, since the LGX crystals do not present phase changes up to their melting point above 1400degC. The LGX crystals' capability to operate at elevated temperatures calls for an investigation on the growth quality and the consistency of these materials' properties at high temperature. One of the fundamental crystal properties is the thermal expansion coefficients in the entire temperature range where the material is operational. This work focuses on the measurement of the LGT thermal expansion coefficients from room temperature (25degC) to 1200degC. Two methods of extracting the thermal expansion coefficients have been used and compared: (a) dual push-rod dilatometry, which provides the bulk expansion; and (b) x-ray powder diffraction, which provides the lattice expansion. Both methods were performed over the entire temperature range and considered multiple samples taken from <001> Czochralski grown LGT material. The thermal coefficients of expansion were extracted by approximating each expansion data set to a third order polynomial fit over three temperature ranges reported in this work: 25degC to 400degC, 400degC to 900degC, 900degC to 1200degC. An accuracy of fit better than 35ppm for the bulk expansion and better than 10ppm for the lattice expansion have been obtained with the aforementioned polynomial fitting. The

  2. Solution coating of large-area organic semiconductor thin films with aligned single-crystalline domains

    KAUST Repository

    Diao, Ying


    Solution coating of organic semiconductors offers great potential for achieving low-cost manufacturing of large-area and flexible electronics. However, the rapid coating speed needed for industrial-scale production poses challenges to the control of thin-film morphology. Here, we report an approach - termed fluid-enhanced crystal engineering (FLUENCE) - that allows for a high degree of morphological control of solution-printed thin films. We designed a micropillar-patterned printing blade to induce recirculation in the ink for enhancing crystal growth, and engineered the curvature of the ink meniscus to control crystal nucleation. Using FLUENCE, we demonstrate the fast coating and patterning of millimetre-wide, centimetre-long, highly aligned single-crystalline organic semiconductor thin films. In particular, we fabricated thin films of 6,13-bis(triisopropylsilylethynyl) pentacene having non-equilibrium single-crystalline domains and an unprecedented average and maximum mobilities of 8.1±1.2 cm2 V-1 s -1 and 11 cm2 V-1 s-1. FLUENCE of organic semiconductors with non-equilibrium single-crystalline domains may find use in the fabrication of high-performance, large-area printed electronics. © 2013 Macmillan Publishers Limited. All rights reserved.

  3. Effect of amaranth on dielectric, thermal and optical properties of KDP single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Chandran, Senthilkumar; Paulraj, Rajesh, E-mail:; Ramasamy, P.


    Bulk single crystals of pure and amaranth doped KDP were grown using point seed technique. Effect of amaranth doping on KDP crystals was analyzed using powder XRD, thermal analysis (TG/DTA), dielectric, photoconductivity and etching studies. The phase purity and crystallinity of pure and dye doped crystals were confirmed by powder X-ray diffraction analysis. It is observed from TG-DTA analysis that the decomposition point decreased while doping with amaranth. Dielectric constant and loss increases with increasing temperatures. The photoconductivity decreases with the increase of amaranth concentration. - Highlights: • Pure and amaranth doped KDP crystals grown from point seed technique. • The addition of amaranth changes the decomposition points of dye doped KDP crystals. • Dielectric constant is increased. • It shows positive photoconductivity.

  4. Synthesis and properties of zirconium-doped RbTiOPO{sub 4} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Agapova, E. I.; Voronkova, V. I., E-mail:; Kharitonova, E. P.; Leont' eva, I. N.; Stefanovich, S. Yu. [Moscow State University (Russian Federation); Sorokina, N. I.; Dudka, A. P. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Alekseeva, O. A. [Moscow State University (Russian Federation); Kononkova, N. N. [Russian Academy of Sciences, Vernadsky Institute of Geochemistry and Analytical Chemistry (Russian Federation)


    Single crystals of the solid solutions RbTi{sub 1-x}Zr{sub x}OPO{sub 4} (0.015 < x < 0.034) were grown and their physical properties were studied. In the presence of zirconium in the crystals with the maximum content x = 0.034, the ferroelectric phase transition and the high-temperature transition from the orthorhombic to the cubic phase are shifted to lower temperatures by 100 and 50 Degree-Sign C, respectively. In the temperature range from 700 Degree-Sign C to room temperature, the conductivity of doped crystals decreases compared to that of the undoped crystals. It is of particular interest that the intensity of the second-harmonic generation of the doped crystals is substantially higher than that of RbTiOPO{sub 4}.

  5. Mini-stop bands in single heterojunction photonic crystal waveguides

    KAUST Repository

    Shahid, N.


    Spectral characteristics of mini-stop bands (MSB) in line-defect photonic crystal (PhC) waveguides and in heterostructure PhC waveguides having one abrupt interface are investigated. Tunability of the MSB position by air-fill factor heterostructure PhC waveguides is utilized to demonstrate different filter functions, at optical communication wavelengths, ranging from resonance-like to wide band pass filters with high transmission. The narrowest filter realized has a resonance-like transmission peak with a full width at half maximum of 3.4 nm. These devices could be attractive for coarse wavelength selection (pass and drop) and for sensing applications. 2013 Copyright 2013 Author(s). This article is distributed under a Creative Commons Attribution 3.0 Unported License.

  6. Lattice dynamics of KxRhO2 single crystals

    Directory of Open Access Journals (Sweden)

    Bin-Bin Zhang


    Full Text Available A series of crystals KxRhO2 (x = 0.72, 0.63, 0.55, 0.39, and 0.24 have been synthesized and their vibrational properties have been studied by first principles calculations, Raman spectroscopy, and inelastic neutron scattering. The measured vibrational spectra of KxRhO2 for x = 0.72 and 0.63 are consistent with the theoretical prediction for the stoichiometric KRhO2. For samples with x = 0.55, 0.39 and 0.24, extra vibrational modes have been observed and they are believed to be due to the symmetry reduction and the loss of translational symmetry induced by K disorder. The good agreement was found for the phonon density of states among the Raman spectroscopic observations, inelastic neutron scattering and the first principles calculations, as an evidence for the generation of structure disorder by K deficiency.

  7. Development of a horizontally and vertically focused neutron monochromator using stacked elastically bent Si single crystals

    CERN Document Server

    Kimura, H; Kojima, A; Noda, Y; Minakawa, N; Morii, Y; Takesue, N


    A horizontally and vertically focused monochromator has been developed for the 4-axis neutron diffractometer applied for a single crystal structure analysis. Silicon perfect single crystals are bent elastically in order to focus monochromatic neutrons horizontally. The monochromatic beam can also be focused vertically by stacking the horizontally bent crystals. Tilting motion of each stacked bent crystal is controlled independently by stepping pulse motors for optimizing and reproducing perfectly the vertical focusing at the sample position. The intensity of neutrons with a 1.57 A wavelength monochromatized by the new monochromator increases remarkably, and is comparable to that of pyrolytic graphite monochromator with a 2.44 A wavelength. The high tunability of the doubly focusing system established in the present study can be adopted easily when obtaining the shorter wavelength of neutrons.

  8. Structural Characterization of Doped GaSb Single Crystals by X-ray Topography

    Energy Technology Data Exchange (ETDEWEB)

    Honnicke, M.G.; Mazzaro, I.; Manica, J.; Benine, E.; M da Costa, E.; Dedavid, B. A.; Cusatis, C.; Huang, X. R.


    We characterized GaSb single crystals containing different dopants (Al, Cd and Te), grown by the Czochralski method, by x-ray topography and high angular resolution x-ray diffraction. Lang topography revealed dislocations parallel and perpendicular to the crystal's surface. Double-crystal GaSb 333 x-ray topography shows dislocations and vertical stripes than can be associated with circular growth bands. We compared our high-angular resolution x-ray diffraction measurements (rocking curves) with the findings predicted by the dynamical theory of x-ray diffraction. These measurements show that our GaSb single crystals have a relative variation in the lattice parameter ({Delta}d/d) on the order of 10{sup -5}. This means that they can be used as electronic devices (detectors, for example) and as x-ray monochromators.

  9. Growth and surface morphology of ErFeO3 single crystal (United States)

    Chang, Fenfen; Yuan, Shujuan; Wang, Yabin; Zhan, Sheng; Cao, Shixun; Wu, Anhua; Xu, Jun


    ErFeO3 single crystal 7 mm in diameter and up to 70 mm in length has been grown by the floating zone technique using a four-mirror image furnace. Particular attention was given to the surface morphology of different cross-sections of the single crystal perpendicular to the growth direction. There are many cracks, bubbles, and precipitations on the cross-sections of the crystal observed by scanning electron microscopy. The thermal stress induced by the high growth rate might play an important role in the formation of the cracks. The bubbles might be mainly caused by high growth rate and the voids within the sintered feed rod. The energy-dispersive X-ray spectroscopy analysis indicates that there is Fe deficiency in the crystal especially in the precipitations.

  10. Strain gradient crystal plasticity analysis of a single crystal containing a cylindrical void

    DEFF Research Database (Denmark)

    Borg, Ulrik; Kysar, J.W.


    to one another. Finite element simulations are performed using a strain gradient crystal plasticity formulation with an intrinsic length scale parameter in a non-local strain gradient constitutive framework. For a vanishing length scale parameter the non-local formulation reduces to a local crystal...... plasticity formulation. The stress and deformation fields obtained with a local non-hardening constitutive formulation are compared to those obtained from a local hardening formulation and to those from a non-local formulation. Compared to the case of the non-hardening local constitutive formulation......, it is shown that a local theory with hardening has only minor effects on the deformation field around the void, whereas a significant difference is obtained with the non-local constitutive relation. Finally, it is shown that the applied stress state required to activate plastic deformation at the void is up...

  11. The Growth and Properties of Lead-Free Ferroelectric Single Crystals

    Directory of Open Access Journals (Sweden)

    Xiaobing Li


    Full Text Available Much attention is drawn to the preparation, structure and properties investigation of lead-free ferroelectrics for the next generation of piezoelectric devices. (Na0.5Bi0.5TiO3-BaTiO3 (NBT-BT lead-free solid solution piezoelectric single crystals with composition x in the range of 0–0.05 as a materials with high piezoelectric properties were successfully grown from platinum crucible by using the top-seeded solution growth (TSSG method. The dimensions of NBT-BT crystal is Ø40 × 10 mm2. X-ray powder diffraction patterns reveal that the crystal structure of NBT-BT crystal changes from rhombohedral to tetragonal symmetry with increasing amounts of BT(x. The dielectric, ferroelectric and piezoelectric properties of NBT-BT crystals with different compositions near the morphotropic phase boundary (MPB were studied systematically. Ions (Mn, Eu, Zn doped NBT and NBT-BT 95/5 crystals were also grown and studied. In addition, their piezoelectric and ferroelectric properties are investigated. Further, a high-quality and large-sized (K0.25Na0.75NbO3 (KNN25/75 single crystal has been achieved by a carefully controlled TSSG method. The dimensions of the as-grown KNN25/75 single crystal reached up to Ø30 × 10 mm2. The obtained KNN crystals provided us a superb material for the dielectric, piezoelectric, ferroelectric and electromechanical coupling property characterization along different orientations.

  12. Growth and characterization of nonlinear optical telluromolybdate CoTeMoO{sub 6} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Mączka, Mirosław, E-mail: [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, PO Box 1410, 50-950 Wrocław 2 (Poland); Hermanowicz, Krzysztof [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, PO Box 1410, 50-950 Wrocław 2 (Poland); Majchrowski, Andrzej [Institute of Applied Physics, Military University of Technology, 2 Kaliskiego Str., 00-908 Warsaw (Poland); Kroenke, Łukasz [Faculty of Physics, Warsaw University of Technology, 75 Koszykowa Str., 00-662 Warsaw (Poland); Pietraszko, Adam; Ptak, Maciej [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, PO Box 1410, 50-950 Wrocław 2 (Poland)


    Nonlinear optical (NLO) crystals CoTeMoO{sub 6} have been grown from high temperature solution by means of spontaneous crystallization. These crystals have been characterized by temperature-dependent X-ray diffraction, infrared and electron absorption methods. Moreover, polarized Raman spectra have been measured at room temperature. These studies showed that the Mo{sup 6+} and Te{sup 4+} ions are in asymmetric coordination environment, and CoTeMoO{sub 6} has the largest flexibility index among MTeMoO{sub 6} family of telluro-molybdates (M=Zn, Mg, Cd, Mn, Co), making this compound attractive NLO material. Raman and IR studies allowed assigning the observed modes to respective motions of atoms in the unit cell. They have also showed evidence for spin–phonon coupling at low temperatures and suggested that CoTeMoO{sub 6} is prospective material for solid-state Raman laser-frequency converters. Analysis of electron absorption data has shown that Co{sup 2+} ions are located in sites of weak crystal field with the crystal field parameters Dq and B equal to 548 cm{sup −1} and 882 cm{sup −1}, respectively. - Graphical abstract: View of CoTeMoO{sub 6} crystal structure along the b-axis. - Highlights: • Single crystals of nonlinear optical telluromolybdate CoTeMoO{sub 6} were grown. • Crystal structure was solved by means of single crystal X-ray diffraction. • Raman and IR spectra were measured and analyzed. • Crystal field strength acting on Co{sup 2+} ions was established from analysis of electron absorption spectra.

  13. Modeling Nonlinear Elastic-plastic Behavior of RDX Single Crystals During Indentation (United States)


    single crystals has also been probed using shock experiments (6, 12) and molecular dynamics simulations (12–14). RDX undergoes a polymorphic phase... HMX ) (19) and pentaerythritol tetranitrate (PETN) (20, 21). Aims of the present work are to develop and implementent a crystal plasticity model for...which is the stable polymorph for pressures under ≈ 3.8 GPa and temperatures under ≈ 480 K. High pressure phases with different structures (γ , β ) and

  14. Single crystal growth of Sr{sub 2}TiMnO{sub 6} by optical floating zone technique

    Energy Technology Data Exchange (ETDEWEB)

    Murugesan, G.; Kalainathan, S. [Centre for Crystal Growth, School of Advanced Sciences, VIT University, Vellore 632 014, Tamil Nadu (India); Nithya, R. [Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102, Tamil Nadu (India); Das, Amitabh [Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai – 400085 (India)


    Single crystals of Sr{sub 2}TiMnO{sub 6} were grown by optical floating zone technique. Powder X-ray diffraction studies confirmed the single phase nature of the grown crystal. Laue diffraction studies proved the quality of the grown crystal. Neutron diffraction showed no magnetic ordering down to 6 K. Impedance studies showed temperature dependant relaxation which is due to the presence of oxygen vacancies in the grown crystal.

  15. Coherent X-radiation of relativistic electrons in a single crystal under asymmetric reflection conditions (United States)

    Blazhevich, S. V.; Noskov, A. V.


    Coherent X-radiation of a relativistic electron crossing a single crystal plate with constant speed is considered in the two-wave approximation of the dynamic diffraction theory [Z. Pinsker, Dynamical Scattering of X-rays in Crystals, Springer, Berlin, 1984] in a Laue geometry. Analytical expressions describing the spectral-angular distribution of parametric X-radiation (PXR) and diffracted transition radiation (DTR) formed on a system of parallel atomic planes situated at an arbitrary angle δ to the surface of the crystal plate (asymmetric reflection) are derived. The dependences of the PXR and DTR spectral-angular density and their interference with angle δ are studied.

  16. Isotopic effect on thermal physical properties of isotopically modified boron single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Quanli [Japan Science and Technology Corporation, Kawaguchi, Saitama (Japan); Noda, Tetsuji; Suzuki, Hiroshi; Araki, Hiroshi; Numazawa, Takenori; Hirano, Toshiyuki [National Institute for Materials Science, Tsukuba, Ibaraki (Japan); Nogi, Naoyuki; Tanaka, Satoru [University of Tokyo, Department of Quantum Engineering and Systems Science, Tokyo (Japan)


    The measurement of specific heat and thermal conductivity at low temperature for isotopically modified boron single crystals was performed between 0.5 and 100K using relaxation method and steady heat flow method, respectively. The results indicate that the specific heat has obvious divergences at T<5K. At 40K, the thermal conductivity of {sup 10}B-enriched crystal is about 570 W/m{center_dot}K, which is 40% larger than that of natural boron crystal. The influence of lattice vibration modes and the isotopic effect on specific heat and thermal conductivity for isotopically modified boron are discussed. (author)

  17. Third harmonic generation and thermo-physical properties of benzophenone single crystal for photonic applications (United States)

    Saranraj, A.; Sahaya Jude Dhas, S.; Vinitha, G.; Britto Dhas, S. A. Martin


    A well crystallized Benzophenone single crystal was successfully grown by vertical semi transparent Bridgman technique. The lattice parameters of the grown crystal were established by single crystal x-ray diffraction technique. Fourier transform infrared spectroscopy was performed to determine the functional groups. The UV-NIR analysis revealed that the Benzophenone crystal has high transmittance in the entire visible region and the lower cutoff wavelength has been found to be 381 nm. The optical band gap energy was calculated and it is found to be 3.08 eV. The various linear optical parameters such as, Extinction coefficient (k), Refractive index (n), Reflectance, Complex dielectric constant, Optical susceptibility, Electrical conductivity and Optical polarization of the grown crystal were estimated and its variation with respect to incident photon energy was examined. Furthermore, the third order nonlinear optical properties were investigated by the z-scan technique using continuous wave Nd-YAG laser. The obtained thermophysical properties making use of photoacoustic spectroscopy show the superiority of the crystal over few other standard NLO materials.

  18. Advances in the Growth and Characterization of Relaxor-PT-Based Ferroelectric Single Crystals

    Directory of Open Access Journals (Sweden)

    Jun Luo


    Full Text Available Compared to Pb(Zr1−xTixO3 (PZT polycrystalline ceramics, relaxor-PT single crystals offer significantly improved performance with extremely high electromechanical coupling and piezoelectric coefficients, making them promising materials for piezoelectric transducers, sensors and actuators. The recent advances in crystal growth and characterization of relaxor-PT-based ferroelectric single crystals are reviewed in this paper with emphases on the following topics: (1 the large crystal growth of binary and ternary relaxor-PT-based ferroelectric crystals for commercialization; (2 the composition segregation in the crystals grown from such a solid-solution system and possible solutions to reduce it; (3 the crystal growth from new binary and ternary compositions to expand the operating temperature and electric field; (4 the crystallographic orientation dependence and anisotropic behaviors of relaxor-PT-based ferroelectriccrystals; and (5 the characterization of the dielectric, elastic and piezoelectric properties of the relaxor-PT-based ferroelectriccrystals under small and large electric fields.

  19. Growth and PhysioChemical Properties of Second-Order Nonlinear Optical L-Threonine Single Crystals

    Directory of Open Access Journals (Sweden)

    G. Ramesh Kumar


    Full Text Available The present aim of the paper is to grow and to study the various properties of L-threonine amino acid single crystal in various aspects. Crystal growth of L-threonine single crystals has been carried out with the help of crystallization kinetics. pH and deuteration effects on the properties of the grown crystals have been studied and the results presented in a lucid manner. The various second-order NLO parameters were evaluated using anharmonic oscillator model. Particle and ion irradiation effects on structural, optical, and surface properties of the crystals have also been studied in detail.

  20. Singly-resonant optical parametric oscillator based on KTA crystal

    Indian Academy of Sciences (India)

    Single pass conversion efficiency of incident pump energy to infra-red wavelength has also been measured. ... Tunable radiation from. UV to infra-red and even THz domain can be generated by optical parametric oscil- ... nm radiation having pulse length of 10 ns from a Q-switched Nd:YAG laser. The pump beam shape is ...

  1. Critical Property in Relaxor-PbTiO3 Single Crystals --- Shear Piezoelectric Response (United States)

    Xu, Zhuo; Wei, Xiaoyong; Shrout, Thomas R.


    The shear piezoelectric behavior in relaxor-PbTiO3 (PT) single crystals is investigated in regard to crystal phase. High levels of shear piezoelectric activity, d15 or d24 >2000 pC N−1, has been observed for single domain rhombohedral (R), orthorhombic (O) and tetragonal (T) relaxor-PT crystals. The high piezoelectric response is attributed to a flattening of the Gibbs free energy at compositions proximate to the morphotropic phase boundaries, where the polarization rotation is easy with applying perpendicular electric field. The shear piezoelectric behavior of pervoskite ferroelectric crystals was discussed with respect to ferroelectric-ferroelectric phase transitions and dc bias field using phenomenological approach. The relationship between single domain shear piezoelectric response and piezoelectric activities in domain engineered configurations were given in this paper. From an application viewpoint, the temperature and ac field drive stability for shear piezoelectric responses are investigated. A temperature independent shear piezoelectric response (d24, in the range of −50°C to O-T phase transition temperature) is thermodynamically expected and experimentally confirmed in orthorhombic relaxor-PT crystals; relatively high ac field drive stability (5 kV cm−1) is obtained in manganese modified relaxor-PT crystals. For all thickness shear vibration modes, the mechanical quality factor Qs are less than 50, corresponding to the facilitated polarization rotation. PMID:21960942

  2. In situ observation of dislocation nucleation and escape in a submicrometre aluminium single crystal. (United States)

    Oh, Sang Ho; Legros, Marc; Kiener, Daniel; Dehm, Gerhard


    'Smaller is stronger' does not hold true only for nanocrystalline materials but also for single crystals. It is argued that this effect is caused by geometrical constraints on the nucleation and motion of dislocations in submicrometre-sized crystals. Here, we report the first in situ transmission electron microscopy tensile tests of a submicrometre aluminium single crystal that are capable of providing direct insight into source-controlled dislocation plasticity in a submicrometre crystal. Single-ended sources emit dislocations that escape the crystal before being able to multiply. As dislocation nucleation and loss rates are counterbalanced at about 0.2 events per second, the dislocation density remains statistically constant throughout the deformation at strain rates of about 10(-4) s(-1). However, a sudden increase in strain rate to 10(-3) s(-1) causes a noticeable surge in dislocation density as the nucleation rate outweighs the loss rate. This observation indicates that the deformation of submicrometre crystals is strain-rate sensitive.

  3. Single crystals of DPPH grown from diethyl ether and carbon disulfide solutions - crystal structures, IR, EPR and magnetization studies. (United States)

    Zilić, Dijana; Pajić, Damir; Jurić, Marijana; Molčanov, Krešimir; Rakvin, Boris; Planinić, Pavica; Zadro, Krešo


    Single crystals of the free radical 2,2-diphenyl-1-picrylhydrazyl (DPPH) obtained from diethyl ether (ether) and carbon disulfide (CS₂) were characterized by the X-ray diffraction, IR, EPR and SQUID magnetization techniques. The X-ray structural analysis and IR spectra showed that the DPPH form crystallized from ether (DPPH1) is solvent free, whereas that one obtained from CS₂ (DPPH2) is a solvate of the composition 4DPPH·CS₂. Principal values of the g-tensor were estimated by the X-band EPR spectroscopy at room and low (10 K) temperatures. Magnetization studies revealed the presence of antiferromagnetically coupled dimers in both types of crystals. However, the way of dimerization as well as the strength of exchange couplings are different in the two DPPH samples, which is in accord with their crystal structures. The obtained results improved parameters accuracy and enabled better understanding of properties of DPPH as a standard sample in the EPR spectrometry. Copyright © 2010 Elsevier Inc. All rights reserved.

  4. Synthesis and characterisation of large chlorapatite single-crystals with controlled morphology and surface roughness. (United States)

    García-Tuñón, Esther; Couceiro, Ramiro; Franco, Jaime; Saiz, Eduardo; Guitián, Francisco


    This work describes the synthesis of chlorapatite single crystals using the molten salt method with CaCl(2) as a flux. By manipulating the processing conditions (amount of flux, firing time and temperature, and cooling rates) it is possible to manipulate the crystal morphology from microscopic fibres to large crystals (up to few millimetre long and ~100 μm thick). The crystal roughness can be controlled to achieve very flat surfaces by changing the melt composition "in situ" at high temperature. The Young modulus and hardness of the crystals are 110 ± 15 and 6.6 ± 1.5 GPa respectively as measured by nanoindentation. Crystal dissolution in Hanks solution starts around the defects. Several in vitro assays were performed; ClAp crystals with different size and shape are biocompatible. Cell apoptosis was very low at 5, 10, and 15 days (Caspase-3) for all the samples. Proliferation (MTT) showed to be influenced by surface roughness and size of the crystals.

  5. Effects of protein engineering and rational mutagenesis on crystal lattice of single chain antibody fragments. (United States)

    Kalyoncu, Sibel; Hyun, Jeongmin; Pai, Jennifer C; Johnson, Jennifer L; Entzminger, Kevin; Jain, Avni; Heaner, David P; Morales, Ivan A; Truskett, Thomas M; Maynard, Jennifer A; Lieberman, Raquel L


    Protein crystallization is dependent upon, and sensitive to, the intermolecular contacts that assist in ordering proteins into a three-dimensional lattice. Here we used protein engineering and mutagenesis to affect the crystallization of single chain antibody fragments (scFvs) that recognize the EE epitope (EYMPME) with high affinity. These hypercrystallizable scFvs are under development to assist difficult proteins, such as membrane proteins, in forming crystals, by acting as crystallization chaperones. Guided by analyses of intermolecular crystal lattice contacts, two second-generation anti-EE scFvs were produced, which bind to proteins with installed EE tags. Surprisingly, although noncomplementarity determining region (CDR) lattice residues from the parent scFv framework remained unchanged through the processes of protein engineering and rational design, crystal lattices of the derivative scFvs differ. Comparison of energy calculations and the experimentally-determined lattice interactions for this basis set provides insight into the complexity of the forces driving crystal lattice choice and demonstrates the availability of multiple well-ordered surface features in our scFvs capable of forming versatile crystal contacts. © 2014 Wiley Periodicals, Inc.

  6. Magnetic properties of single crystal alpha-benzoin oxime: An EPR study (United States)

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


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

  7. The relationship between elastic constants and structure of shock waves in a zinc single crystal (United States)

    Krivosheina, M. N.; Kobenko, S. V.; Tuch, E. V.


    The paper provides a 3D finite element simulation of shock-loaded anisotropic single crystals on the example of a Zn plate under impact using a mathematical model, which allows for anisotropy in hydrostatic stress and wave velocities in elastic and plastic ranges. The simulation results agree with experimental data, showing the absence of shock wave splitting into an elastic precursor and a plastic wave in Zn single crystals impacted in the [0001] direction. It is assumed that the absence of an elastic precursor under impact loading of a zinc single crystal along the [0001] direction is determined by the anomalously large ratio of the c/a-axes and close values of the propagation velocities of longitudinal and bulk elastic waves. It is shown that an increase in only one elastic constant along the [0001] direction results in shock wave splitting into an elastic precursor and a shock wave of "plastic" compression.

  8. NMR spectroscopy of experimentally shocked single crystal quartz: A reexamination of the NMR shock barometer (United States)

    Fiske, P. S.; Gratz, A. J.; Nellis, W. J.


    Cygan and others report a broadening of the Si-29 nuclear magnetic resonance (NMR) peak for synthetic quartz powders with increasing shock pressure which they propose as a shock wave barometer for natural systems. These results are expanded by studying single crystal quartz shocked to 12 and 33 GPa using the 6.5 m two-stage light-gas gun at Lawrence Livermore National Laboratories. Our NMR results differ substantially from those of Cygan and others and suggest that the proposed shock wave barometer may require refinement. The difference in results between this study and that of Cygan and others is most likely caused by different starting materials (single crystal vs. powder) and different shock loading histories. NMR results from single crystal studies may be more applicable to natural systems.

  9. Electrochemical Cycling of Polycrystalline Silver Nanoparticles Produces Single-Crystal Silver Nanocrystals. (United States)

    Singh, Poonam; Carpenter, Ray W; Buttry, Daniel A


    Electrochemically driven phase transformations in redox-active nanoparticles (NPs) are important in a number of areas, including batteries and sensors. We use high-resolution electron microscopy in conjunction with ex situ electrochemical experiments on TEM grids to study the oxidative conversion of polycrystalline silver NPs to amorphous silver oxide nanoparticles and their reductive conversion back to single-crystal silver nanocrystals (NCs). Results show that during oxidation nucleation occurs uniformly at the NP surface, producing a Ag@Ag2O core@shell structure during growth. The images reveal polycrystalline Ag cores and amorphous Ag2O shells for these structures. Electron microscopy also showed that the electrochemical reduction of Ag2O NPs can produce single-crystal Ag nanocrystals, suggesting that point nucleation at the NP-electrode interface during reduction enables a growth mechanism favoring the formation of single-crystal nanoparticles.

  10. Alloying effects of refractory elements in the dislocation of Ni-based single crystal superalloys

    Directory of Open Access Journals (Sweden)

    Shiyu Ma


    Full Text Available The alloying effects of W, Cr and Re in the [100] (010 edge dislocation cores (EDC of Ni-based single crystal superalloys are investigated using first-principles based on the density functional theory (DFT. The binding energy, Mulliken orbital population, density of states, charge density and radial distribution functions are discussed, respectively. It is clearly demonstrated that the addition of refractory elements improves the stability of the EDC systems. In addition, they can form tougher bonds with their nearest neighbour (NN Ni atoms, which enhance the mechanical properties of the Ni-based single crystal superalloys. Through comparative analysis, Cr-doped system has lower binding energy, and Cr atom has evident effect to improve the systemic stability. However, Re atom has the stronger alloying effect in Ni-based single crystal superalloys, much more effectively hindering dislocation motion than W and Cr atoms.

  11. Crystal structure and characterization of a novel luminescent 2D metal-organic framework, poly[aquaitaconatocalcium(II)] possessing an open framework structure with hydrophobic channels (United States)

    Nair, Remya M.; Sudarsanakumar, M. R.; Suma, S.; Prathapachandra Kurup, M. R.


    A novel 2D metal-organic framework poly[aquaitaconatocalcium(II)] with an open framework structure has been successfully grown by single gel diffusion technique. Sodium metasilicate was used for gel preparation. The structure was determined by single crystal X-ray diffraction. The compound crystallizes in monoclinic space group P21/c with hydrophobic 1D channels. The obtained crystals were further characterized by elemental analysis, FT-IR and UV-Visible spectroscopy, powder X-ray diffraction and thermogravimetry. The luminescent property of the complex was also discussed.

  12. Formation of oriented nitrides by N{sup +} ion implantation in iron single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Costa, A.R.G. [CFMC, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, 1749-016 Lisboa (Portugal); IST/IPFN, Universidade de Lisboa, Campus Tecnológico e Nuclear, E.N.10, 2686-953 Sacavém (Portugal); Silva, R.C. da [IST/IPFN, Universidade de Lisboa, Campus Tecnológico e Nuclear, E.N.10, 2686-953 Sacavém (Portugal); Ferreira, L.P. [CFMC, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, 1749-016 Lisboa (Portugal); Dep. Física, Fac. Ciências e Tecnologia, Universidade de Coimbra, 3004-516 Coimbra (Portugal); Carvalho, M.D. [CCMM/Dep. Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, 1749-016 Lisboa (Portugal); Silva, C. [CFMC, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, 1749-016 Lisboa (Portugal); Dep. Física, Fac. Ciências, Universidade de Lisboa, Campo Grande, 1749-016 Lisboa (Portugal); Franco, N. [IST/IPFN, Universidade de Lisboa, Campus Tecnológico e Nuclear, E.N.10, 2686-953 Sacavém (Portugal); Godinho, M. [CFMC, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, 1749-016 Lisboa (Portugal); Dep. Física, Fac. Ciências, Universidade de Lisboa, Campo Grande, 1749-016 Lisboa (Portugal); and others


    Iron single crystals were implanted with nitrogen at room temperature, with a fluence of 5×10{sup 17} cm{sup −2} and 50 keV energy, to produce iron nitride phases and characterize the influence of the crystal orientation. The stability and evolution of the nitride phases and diffusion of implanted nitrogen were studied as a function of successive annealing treatments at 250 °C in vacuum. The composition, structure and magnetic properties were characterized using RBS/channeling, X-Ray Diffraction, Magnetic Force Microscopy, Magneto-optical Kerr Effect and Conversion Electron Mössbauer Spectroscopy. In the as-implanted state the formation of Fe{sub 2}N phase was clearly identified in all single crystals. This phase is not stable at 250 °C and annealing at this temperature promotes the formation of ε-Fe{sub 3}N, or γ′-Fe{sub 4}N, depending on the orientation of the substrate. - Highlights: • Oriented magnetic iron nitrides were obtained by nitrogen implantation into iron single crystals. • The stable magnetic nitride phase at 250 °C depends on the orientation of the host single crystal, being γ'-Fe{sub 4}N or ε-Fe{sub 3}N. • The easy magnetization axis was found to lay in the (100) plane for cubic γ'-Fe{sub 4}N and out of (100) plane for hexagonal ε-Fe{sub 3}N.

  13. Single-Photon Technologies Based on Quantum-Dots in Photonic Crystals

    DEFF Research Database (Denmark)

    Lehmann, Tau Bernstorff

    In this thesis, the application of semiconductor quantum-dots in photonic crystals is explored as aresource for single-photon technology.Two platforms based on photonic crystals, a cavity and a waveguide, are examined as platformssingle-photon sources. Both platforms demonstrate strong single......-photons from a quantum-dot are routed on timescalesof the exciton lifetime. Using active demultiplexing a three-fold single-photon state is generated at anextracted rate of 2:03 ±0:49 Hz.An on-chip power divider integrated with a quantum-dot is investigated. Correlation measurementof the photon statistic...... veries the single-photon nature of the quantum-dot. Furthermore correlationmeasurement between the outputs of the power divider conrms the passive separation of the singlephotonemission.A scheme for post-emission entanglement generation between single-photons from an efficientsource is discussed...

  14. Crystal orientation dependent optical transmittance and band gap of Na0.5Bi0.5TiO3-BaTiO3 single crystals (United States)

    He, Chongjun; Deng, Chenguang; Wang, Jiming; Gu, Xiaorong; Wu, Tong; Zhu, Kongjun; Liu, Youwen


    Optical transmittance spectra of lead-free ferroelectric (1-x)Na0.5Bi0.5TiO3-xBaTiO3 (NBT-xBT) single crystals poled along different directions have been studied comprehensively. After poled along [001] direction, the transmittance of tetragonal NBT-8%BT crystal is about 70%, which is much higher than that of NBT-2%BT crystal with rhombohedral structure and NBT-5%BT crystal with morphotropic phase boundary (MPB) composition. However, after poled [111] direction, the transmittance of tetragonal NBT-8%BT crystal is the smallest among them. These properties are manifest in view of the crystal structure. Both direct and indirect optical energy band gaps, as well phonon energies were obtained from absorption coefficient spectra by Tauc equations. The band gaps of [001]-poled NBT-xBT crystals increase with BT content, yet the [111]-poled crystals have opposite trends.

  15. Synthesis and single crystal X-ray analysis of two griseofulvin metabolites

    DEFF Research Database (Denmark)

    Rønnest, Mads Holger; Harris, Pernille; Gotfredsen, Charlotte Held


    The two phenols, 6-O-desmethyl griseofulvin and 4-O-desmethyl griseofulvin are metabolites of the antifungal drug griseofulvin. Herein, we present an improved synthesis of the 6-phenol derivative, and an unequivocal proof of both structures by single-crystal X-ray analysis.......The two phenols, 6-O-desmethyl griseofulvin and 4-O-desmethyl griseofulvin are metabolites of the antifungal drug griseofulvin. Herein, we present an improved synthesis of the 6-phenol derivative, and an unequivocal proof of both structures by single-crystal X-ray analysis....

  16. Synthesis of single-crystalline anisotropic gold nano-crystals via chemical vapor deposition (United States)

    Manna, Sohini; Kim, Jong Woo; Takahashi, Yukiko; Shpyrko, Oleg G.; Fullerton, Eric E.


    We report on a novel one-step catalyst-free, thermal chemical vapor deposition procedure to synthesize gold nanocrystals on silicon substrates. This approach yields single-crystal nanocrystals with various morphologies, such as prisms, icosahedrons, and five-fold twinned decahedrons. Our approach demonstrates that high-quality anisotropic crystals composed of fcc metals can be produced without the need for surfactants or templates. Compared with the traditional wet chemical synthesis processes, our method enables direct formation of highly pure and single crystalline nanocrystals on solid substrates which have applications in catalysis. We investigated the evolution of gold nanocrystals and established their formation mechanism.

  17. Feasibility of producing photodiode bases on a single crystal strip of germanium obtained by Stephanov's method

    CERN Document Server

    Menshikova, V A; Zatalovskii, L M; Chaikin, P M; Frimer, A I


    The single-crystal strip was obtained by Stepanov's method. involving the use of a fusing shaper and a flexible priming wire holder. The epitaxial growth of a gallium arsenide layer on this strip was then studied, and photodiodes were prepared from it. The surface properties of the strip were investigated microstructurally and deposition rates for gallium arsenide recorded at different temperatures. At each stage the figures were compared with results obtained with common germanium. The characteristics of photodiodes prepared from the single-crystal strip and common germanium were compared, and the former gave greater integral sensitivity. (3 refs).

  18. Synthesis and Single Crystal Structures of Substituted-1,3-Selenazol-2-amines. (United States)

    Hua, Guoxiong; Du, Junyi; Slawin, Alexandra M Z; Woollins, J Derek


    The synthesis and X-ray single crystal structures of a series of new 4-substituted-1,3-selenazol-2-amines is reported. The efficient preparation of these compounds was carried out by two-component cyclization of the selenoureas with equimolar amounts of α-haloketones. The selenoureas were obtained from the reaction of Woollins' reagent with cyanamides, followed by hydrolysis with water. All new compounds have been characterized by IR spectroscopy, multi-NMR (¹H, 13C, 77Se) spectroscopy, accurate mass measurement and single crystal X-ray structure analysis.

  19. Synthesis and Single Crystal Structures of Substituted-1,3-Selenazol-2-amines

    Directory of Open Access Journals (Sweden)

    Guoxiong Hua


    Full Text Available The synthesis and X-ray single crystal structures of a series of new 4-substituted-1,3-selenazol-2-amines is reported. The efficient preparation of these compounds was carried out by two-component cyclization of the selenoureas with equimolar amounts of α-haloketones. The selenoureas were obtained from the reaction of Woollins’ reagent with cyanamides, followed by hydrolysis with water. All new compounds have been characterized by IR spectroscopy, multi-NMR (1H, 13C, 77Se spectroscopy, accurate mass measurement and single crystal X-ray structure analysis.

  20. Crystallographic Orientation Dependence of Corrosion Behavior of a Single Crystal Nickel-Based Alloy (United States)

    Zhang, L. N.; Ojo, O. A.


    Crystallographic orientation dependence of corrosion behavior of a nickel-based single crystal alloy IN738 was studied. Potentiodynamic polarization and electrochemical impedance spectroscopy show that corrosion performance of the single crystal alloy varies with crystallographic orientation. The dependence of passivation behavior on crystallographic orientation is influenced by environmental concentration. Potentiostatic polarization, scanning probe microscopy, and X-ray photoelectron spectroscopy were performed to understand the variation in passivation of different crystallographic orientations. The crystallographic orientation dependence of corrosion performance of the alloy can be explained by the difference of passive films in terms of chemical compositions, compactness, and porosity properties, as well as surface roughness.

  1. Polarized Raman spectra of L-arginine hydrochloride monohydrated single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Faria, J.L.B. [Universidade Federal de Mato Grosso (UFMT), Cuiaba, MT (Brazil). Dept. de Fisica; Freire, P.T.C.; Goncalves, R.O.; Melo, F.E.A.; Mendes Filho, J., E-mail: tarso@fisica.ufc.b [Universidade Federal do Ceara (UFC), Fortaleza, CE (Brazil). Dept. de Fisica; Lima, R.J.C.; Moreno, A.J.D. [Universidade Federal do Maranhao (UFMA), Imperatriz, MA (Brazil). Centro de Ciencias Sociais, Saude e Tecnologia


    Polarized Raman spectra of L-arginine hydrochloride monohydrated single crystal in nine different scattering geometries of the two irreducible representations of factor group C{sub 2} were studied at room temperature. The experimental wavenumber values are compared with those obtained from ab-initio calculation and the assignment of the Raman bands to the respective molecular vibrations is also given. Finally, a discussion related to a previously reported phase transition undergone by L-arginine hydrochloride monohydrated single crystal at low temperature is furnished. (author)

  2. 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


    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.

  3. Superlocalization and Formation of Grain Structure in Ni3ge Single Crystals with Different Orientations of Deformation Axes (United States)

    Solov'eva, Yu. V.; Lipatnikova, Ya. D.; Starenchenko, S. V.; Solov'ev, A. N.; Starenchenko, V. A.


    The paper describes the influence of orientation of Ni3Ge single crystal deformation axes on the high-temperature superlocalization of plastic deformation. Mechanical properties of single crystals with different orientations are studied in this paper as well as the slip traces and the evolution of the dislocation structure. Based on these investigations, the observing conditions are described for the superlocalization bands and the formation of the grain structure in local areas of the original single crystal.

  4. Utilizing liquid crystal phases to obtain highly ordered thin films for organic electronics (United States)

    Springer, Mike T.

    Organic electronic materials offer several advantages when compared to inorganic materials, but they suffer from low charge carrier mobility. Two major factors hindering effective charge transport in organic materials are: 1) effective wavefunction overlap in organic crystals and 2) the domain morphology of thin films. Charge transport in organic materials occurs via a hopping mechanism along the conjugated pi system. Often, rigid, aromatic organic materials crystallize in a herringbone, edge-to-face orientation, limiting pi-pi stacking and decreasing charge carrier mobility. Face-to-face orientation of aromatic rings decreases intermolecular pi-pi distances and increases wavefunction overlap. Control of the crystal structure can be achieved to some extent by tuning structural features of the molecule, like increasing the ratio of carbon atoms to hydrogen atoms in the aromatic rings; this is often achieved by introducing heteroatoms like sulfur and oxygen into the aromatic ring structure. Thin films of organic materials often contain many unaligned domains; this is caused by rapid crystallization. Control of the domain morphology of thin films has been shown to increase charge carrier mobility by 6 orders of magnitude for thin films of the same material. Liquid crystal phases allow a slow process of crystallization, whereby the molecules in a thin film can be slowly aligned into a monodomain before crystallization. The crystal-smectic phases, like smectic E, are particularly attractive for this strategy due to their high degree of intermolecular order. This project describes the synthesis and characterization of organic semiconductors designed to exhibit short pi-pi distances and highly ordered crystal-smectic phases to obtain thin films with high charge carrier mobility. The n,2-OBTTT series contains 15 newly designed and synthesized mesogens. The liquid crystal and solid crystal structures of these mesogens are examined and deposition conditions are optimized for

  5. Structural and optical properties of Cd{sup 2+} ion on the growth of sulphamic acid single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Rajyalakshmi, S.; Samatha, K. [Department of Physics, Andhra University, Visakhapatnam-530003 (India); Rao, Valluru Srinivasa; Reddy, P. V. S. S. S. N.; Rao, K. Ramachandra, E-mail: [Crystal Growth & Nano Science Research Center, Department of Physics, Govt. College (A), Rajahmundry-533 105 (India); Krishna, V. Y. Rama [Department of Engg. Physics, Andhra University, Visakhapatnam-530003 (India)


    Transparent single crystals of Cadmium doped Sulphamic acid (SA) was grown by Conventional slow evaporation solution technique (SEST) which had the size of 13 × 8 × 7 mm{sup 3}. The grown single crystals have been characterized using single crystal X-ray diffraction UV-visible Spectral studies and Second harmonic generation (SHG) efficiency and the results were discussed. The lattice parameters of the grown Cd{sup 2+} ion doped SA crystal are confirmed by single crystal X-ray diffraction and belong to orthorhombic system. Optical transmittance of the crystal was recorded using UV-vis NIR spectrophotometer with its lower cut off wavelength around 259nm. SHG measurements indicate that the SHG efficiency of the grown Cd{sup 2+} ion doped SA crystal at a fundamental wavelength of 1064 nm is approximately equal to KDP.

  6. Report on the sixth blind test of organic crystal structure prediction methods (United States)

    Reilly, Anthony M.; Cooper, Richard I.; Adjiman, Claire S.; Bhattacharya, Saswata; Boese, A. Daniel; Brandenburg, Jan Gerit; Bygrave, Peter J.; Bylsma, Rita; Campbell, Josh E.; Car, Roberto; Case, David H.; Chadha, Renu; Cole, Jason C.; Cosburn, Katherine; Cuppen, Herma M.; Curtis, Farren; Day, Graeme M.; DiStasio Jr, Robert A.; Dzyabchenko, Alexander; van Eijck, Bouke P.; Elking, Dennis M.; van den Ende, Joost A.; Facelli, Julio C.; Ferraro, Marta B.; Fusti-Molnar, Laszlo; Gatsiou, Christina-Anna; Gee, Thomas S.; de Gelder, René; Ghiringhelli, Luca M.; Goto, Hitoshi; Grimme, Stefan; Guo, Rui; Hofmann, Detlef W. M.; Hoja, Johannes; Hylton, Rebecca K.; Iuzzolino, Luca; Jankiewicz, Wojciech; de Jong, Daniël T.; Kendrick, John; de Klerk, Niek J. J.; Ko, Hsin-Yu; Kuleshova, Liudmila N.; Li, Xiayue; Lohani, Sanjaya; Leusen, Frank J. J.; Lund, Albert M.; Lv, Jian; Ma, Yanming; Marom, Noa; Masunov, Artëm E.; McCabe, Patrick; McMahon, David P.; Meekes, Hugo; Metz, Michael P.; Misquitta, Alston J.; Mohamed, Sharmarke; Monserrat, Bartomeu; Needs, Richard J.; Neumann, Marcus A.; Nyman, Jonas; Obata, Shigeaki; Oberhofer, Harald; Oganov, Artem R.; Orendt, Anita M.; Pagola, Gabriel I.; Pantelides, Constantinos C.; Pickard, Chris J.; Podeszwa, Rafal; Price, Louise S.; Price, Sarah L.; Pulido, Angeles; Read, Murray G.; Reuter, Karsten; Schneider, Elia; Schober, Christoph; Shields, Gregory P.; Singh, Pawanpreet; Sugden, Isaac J.; Szalewicz, Krzysztof; Taylor, Christopher R.; Tkatchenko, Alexandre; Tuckerman, Mark E.; Vacarro, Francesca; Vasileiadis, Manolis; Vazquez-Mayagoitia, Alvaro; Vogt, Leslie; Wang, Yanchao; Watson, Rona E.; de Wijs, Gilles A.; Yang, Jack; Zhu, Qiang; Groom, Colin R.


    The sixth blind test of organic crystal structure prediction (CSP) methods has been held, with five target systems: a small nearly rigid molecule, a polymorphic former drug candidate, a chloride salt hydrate, a co-crystal and a bulky flexible molecule. This blind test has seen substantial growth in the number of participants, with the broad range of prediction methods giving a unique insight into the state of the art in the field. Significant progress has been seen in treating flexible molecules, usage of hierarchical approaches to ranking structures, the application of density-functional approximations, and the establishment of new workflows and ‘best practices’ for performing CSP calculations. All of the targets, apart from a single potentially disordered Z′ = 2 polymorph of the drug candidate, were predicted by at least one submission. Despite many remaining challenges, it is clear that CSP methods are becoming more applicable to a wider range of real systems, including salts, hydrates and larger flexible molecules. The results also highlight the potential for CSP calculations to complement and augment experimental studies of organic solid forms. PMID:27484368

  7. Differentiation of organic and non-organic winter wheat cultivars from a controlled field trial by crystallization patterns. (United States)

    Kahl, Johannes; Busscher, Nicolaas; Mergardt, Gaby; Mäder, Paul; Torp, Torfinn; Ploeger, Angelika


    There is a need for authentication tools in order to verify the existing certification system. Recently, markers for analytical authentication of organic products were evaluated. Herein, crystallization with additives was described as an interesting fingerprint approach which needs further evidence, based on a standardized method and well-documented sample origin. The fingerprint of wheat cultivars from a controlled field trial is generated from structure analysis variables of crystal patterns. Method performance was tested on factors such as crystallization chamber, day of experiment and region of interest of the patterns. Two different organic treatments and two different treatments of the non-organic regime can be grouped together in each of three consecutive seasons. When the k-nearest-neighbor classification method was applied, approximately 84% of Runal samples and 95% of Titlis samples were classified correctly into organic and non-organic origin using cross-validation. Crystallization with additive offers an interesting complementary fingerprint method for organic wheat samples. When the method is applied to winter wheat from the DOK trial, organic and non-organic treated samples can be differentiated significantly based on pattern recognition. Therefore crystallization with additives seems to be a promising tool in organic wheat authentication. © 2014 Society of Chemical Industry.

  8. Radiation damage in dielectric and semiconductor single crystals (direct observation)

    CERN Document Server

    Adawi, M A; Varichenko, V S; Zaitsev, A M


    The surfaces of boron-doped synthetic and natural diamonds have been investigated by using the scanning tunnelling microscope (STM) and the scanning electronic microscope (SEM) before and after irradiating the samples with sup 4 sup 0 Ar (25 MeV), sup 8 sup 4 Kr (210 MeV) and sup 1 sup 2 sup 5 Xe (124 MeV) ions. The structures observed after irradiation showed craters with diameters ranging from 3 nm up to 20 nm, which could be interpreted as single ion tracks and multiple hits of ions at the nearest positions of the surface. In the case of argon ion irradiation, the surface was found to be completely amorphous, but after xenon irradiation one could see parts of surface without amorphism. This can be explained by the influence of high inelastic energy losses. The energy and temperature criteria of crater formation as a result of heavy ion irradiation are introduced.

  9. A new 28Si single crystal: counting the atoms for the new kilogram definition (United States)

    Bartl, G.; Becker, P.; Beckhoff, B.; Bettin, H.; Beyer, E.; Borys, M.; Busch, I.; Cibik, L.; D'Agostino, G.; Darlatt, E.; Di Luzio, M.; Fujii, K.; Fujimoto, H.; Fujita, K.; Kolbe, M.; Krumrey, M.; Kuramoto, N.; Massa, E.; Mecke, M.; Mizushima, S.; Müller, M.; Narukawa, T.; Nicolaus, A.; Pramann, A.; Rauch, D.; Rienitz, O.; Sasso, C. P.; Stopic, A.; Stosch, R.; Waseda, A.; Wundrack, S.; Zhang, L.; Zhang, X. W.


    A new single crystal from isotopically enriched silicon was used to determine the Avogadro constant N A by the x-ray-crystal density method. The new crystal, named Si28-23Pr11, has a higher enrichment than the former ‘AVO28’ crystal allowing a smaller uncertainty of the molar mass determination. Again, two 1 kg spheres were manufactured from this crystal. The crystal and the spheres were measured with improved and new methods. One sphere, Si28kg01a, was measured at NMIJ and PTB with very consistent results. The other sphere, Si28kg01b, was measured only at PTB and yielded nearly the same Avogadro constant value. The mean result for both 1 kg spheres is N A  =  6.022 140 526(70)  ×  1023 mol-1 with a relative standard uncertainty of 1.2  ×  10-8. This value deviates from the Avogadro value published in 2015 for the AVO28 crystal by about 3.9(2.1)  ×  10-8. Possible reasons for this difference are discussed and additional measurements are proposed.

  10. Structural, vibrational and thermal characterization of phase transformation in L-histidinium bromide monohydrate single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Moura, G.M. [Universidade Federal do Maranhão, CCSST, Imperatriz, MA, 65900-410 (Brazil); Universidade Federal do Sul e Sudeste do Pará, ICEN, Marabá, PA 68505-080 (Brazil); Carvalho, J.O. [Universidade Federal do Maranhão, CCSST, Imperatriz, MA, 65900-410 (Brazil); Instituto Federal do Tocantins, Araguaína, TO, 77.826-170 (Brazil); Silva, M.C.D.; Façanha Filho, P.F. [Universidade Federal do Maranhão, CCSST, Imperatriz, MA, 65900-410 (Brazil); Santos, A.O. dos, E-mail: [Universidade Federal do Maranhão, CCSST, Imperatriz, MA, 65900-410 (Brazil)


    L-Histidinium bromide monohydrate (LHBr) single crystal is a nonlinear optical material. In this work the high temperature phase transformation and the thermal stability of single crystals of LHBr was investigated by X-ray diffraction, thermogravimetric analysis, differential thermal analysis, differential scanning calorimetry and Raman spectroscopy. The results showed the LHBr phase transformation of orthorhombic (P2{sub 1}2{sub 1}2{sub 1}) to monoclinic system (P 1 2 1) at 120 °C, with the lattice parameters a = 12.162(1) Å, b = 16.821(2) Å, c = 19.477(2) Å and β = 108.56(2)°. These techniques are complementary and confirm the structural phase transformation due to loss water of crystallization. - Highlights: • -histidinium bromide single crystal was grown by slow evaporation technique. • X-ray diffraction characterize the high-temperature phase transformation. • The structural phase transformation occur due to loss of water of crystallization. • The LHBr thermal expansion coefficients exhibit an anisotropic behavior.

  11. Photoluminescence Blinking of Single-Crystal Methylammonium Lead Iodide Perovskite Nanorods Induced by Surface Traps (United States)


    Photoluminescence (PL) of organometal halide perovskite materials reflects the charge dynamics inside of the material and thus contains important information for understanding the electro-optical properties of the material. Interpretation of PL blinking of methylammonium lead iodide (MAPbI3) nanostructures observed on polycrystalline samples remains puzzling owing to their intrinsic disordered nature. Here, we report a novel method for the synthesis of high-quality single-crystal MAPbI3 nanorods and demonstrate a single-crystal study on MAPbI3 PL blinking. At low excitation power densities, two-state blinking was found on individual nanorods with dimensions of several hundred nanometers. A super-resolution localization study on the blinking of individual nanorods showed that single crystals of several hundred nanometers emit and blink as a whole, without showing changes in the localization center over the crystal. Moreover, both the blinking ON and OFF times showed power-law distributions, indicating trapping–detrapping processes. This is further supported by the PL decay times of the individual nanorods, which were found to correlate with the ON/OFF states. Furthermore, a strong environmental dependence of the nanorod PL blinking was revealed by comparing the measurements in vacuum, nitrogen, and air, implying that traps locate close to crystal surfaces. We explain our observations by proposing surface charge traps that are likely related to under-coordinated lead ions and methylammonium vacancies to result in the PL blinking observed here. PMID:27617323

  12. A High-Rate, Single-Crystal Model including Phase Transformations, Plastic Slip, and Twinning

    Energy Technology Data Exchange (ETDEWEB)

    Addessio, Francis L. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division; Bronkhorst, Curt Allan [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division; Bolme, Cynthia Anne [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Explosive Science and Shock Physics Division; Brown, Donald William [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division; Cerreta, Ellen Kathleen [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division; Lebensohn, Ricardo A. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division; Lookman, Turab [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division; Luscher, Darby Jon [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division; Mayeur, Jason Rhea [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division; Morrow, Benjamin M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division; Rigg, Paulo A. [Washington State Univ., Pullman, WA (United States). Dept. of Physics. Inst. for Shock Physics


    An anisotropic, rate-­dependent, single-­crystal approach for modeling materials under the conditions of high strain rates and pressures is provided. The model includes the effects of large deformations, nonlinear elasticity, phase transformations, and plastic slip and twinning. It is envisioned that the model may be used to examine these coupled effects on the local deformation of materials that are subjected to ballistic impact or explosive loading. The model is formulated using a multiplicative decomposition of the deformation gradient. A plate impact experiment on a multi-­crystal sample of titanium was conducted. The particle velocities at the back surface of three crystal orientations relative to the direction of impact were measured. Molecular dynamics simulations were conducted to investigate the details of the high-­rate deformation and pursue issues related to the phase transformation for titanium. Simulations using the single crystal model were conducted and compared to the high-­rate experimental data for the impact loaded single crystals. The model was found to capture the features of the experiments.

  13. Atomistic modeling of different loading paths in single crystal copper and aluminum

    Directory of Open Access Journals (Sweden)

    R. Pezer


    Full Text Available Utilizing molecular dynamics (MD integration model we have investigated some of the relevant physical processes caused by different loading paths at the atomic level in Cu and Al monocrystal specimen. Interactions among the atoms in the bulk are modeled with the standard realistic Embedded Atom Method (EAM potentials. MD simulation gives us the detailed information about non-equilibrium dynamics including crystal structure defects, vacancies and dislocations. In particular, we have obtained result that indicate increase in the total energy of the crystal during loading (especially cyclic that provides us direct quantitative evidence of the metal weakening. For the basic response, we have deformed copper and aluminum single crystal according to the simple loading path and a series of multiaxial loading-paths including cyclic repetition. We compute equivalent stress-strain diagrams as well as dislocation total length vs time graphs to describe signatures of the anisotropic response of the crystal

  14. Second harmonic generation studies in L-alanine single crystals grown from solution

    Energy Technology Data Exchange (ETDEWEB)

    Boomadevi, Shanmugam, E-mail: [Department of Physics, Periyar Maniammai University, Thanjavur-613 403, Tamil Nadu (India); Pandiyan, Krishnamoorthy [School of Electrical and Electronics Engineering, SASTRA University, Thanjavur-613 401, Tamil Nadu (India)


    Single crystals of L-alanine of dimensions 2×1.1×0.5 cm{sup 3} were grown by evaporation method using deionised water as a solvent. The morphology of the grown crystals had (1 2 0) and (0 1 1) as their prominent faces. UV–vis-near IR spectrum shows the transparency range of L-alanine crystal available for frequency doubling from 250 to 1400 nm. Phase-matched second harmonic generation was observed in L-alanine sample by using 7 ns Q-switched Nd:YAG laser with OPO set up. In the present work, phase matching was achieved by angle and wavelength tuning. The angular and spectral phase-matching bandwidths were determined experimentally for a 1.5 mm thick L-alanine crystal and the results have been compared with their theoretical results. Further the possible reasons for the broadening of SHG spectrum have been discussed.

  15. Investigation on nucleation kinetics, growth and characterization of urea oxalic acid-ferroelectric single crystal (United States)

    Dhivya, R.; Ezhil Vizhi, R.; Rajan Babu, D.


    Nucleation and growth kinetics renders the information about the crystal growth process, which can be adopted to grow large size crystals. Urea oxalic acid was synthesized by slow evaporation method. Solubility was analyzed gravimetrically and it was observed that it exhibits positive temperature coefficient of solubility which is suitable for bulk growth. Metastable zonewidth was observed by adopting polythermal method. Induction period was measured by isothermal method for the saturation temperature by varying the degrees of supersaturation. Based on the classical theory of nucleation, the other nucleation parameters such as interfacial energy, Gibbs critical free energy and radius of critical nuclei were calculated. Urea oxalic acid (UOA) was synthesized and subsequently grown by a slow cooling technique. Single crystal X-ray diffraction study confirms that the crystal belongs to a monoclinic system. Dielectric analysis affirms the ferroelectric property of the material and the results were further discussed in detail.

  16. Single-crystal growth of ceria-based materials; Einkristallzuechtung von Materialien auf der Basis von Cerdioxid

    Energy Technology Data Exchange (ETDEWEB)

    Ulbrich, Gregor


    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.

  17. Synthesis and single crystal growth of perovskite semiconductor CsPbBr3 (United States)

    Zhang, Mingzhi; Zheng, Zhiping; Fu, Qiuyun; Chen, Zheng; He, Jianle; Zhang, Sen; Chen, Cheng; Luo, Wei


    As a typical representative of all-inorganic lead halide perovskites, cesium lead bromine (CsPbBr3) has attracted significant attention in recent years. The direct band gap semiconductor CsPbBr3 has a wide band gap of 2.25 eV and high average atomic number (Cs: 55, Pb: 82 and Br: 35), which meet most of the requirements for detection of X- and γ-ray radiation, such as high attenuation, high resistivity, and significant photoconductivity response. However, the growth of large volume CsPbBr3 single crystals remains a challenge. In this paper, the synthesis of CsPbBr3 polycrystalline powders by a chemical co-precipitation method was investigated and the optimum synthesis conditions were obtained. A large CsPbBr3 single crystal of 8 mm diameter and 60 mm length was obtained by a creative electronic dynamic gradient (EDG) method. X-ray diffraction (XRD) patterns and X-ray rocking curve showed that the CsPbBr3 crystal preferentially oriented in the (1 1 0) direction and had a low dislocation density and small residual stress in the crystal. The IR and UV-Vis transmittance and temperature-dependent photoluminescence (PL) spectra showed the crystal had a good basic optical performance. The almost linear current-voltage (I-V) curves implied good ohmic contact between the electrodes and crystal surfaces. The resistivity of the crystal was calculated 109-1010 Ω cm. The above results showed that the quality of the obtained crystal had met the demand of optoelectronic applications.

  18. Wideband Single-Crystal Transducer for Bone Characterization (United States)

    Liang, Yu; Snook, Kevin


    The microgravity conditions of space travel result in unique physiological demands on the human body. In particular, the absence of the continual mechanical stresses on the skeletal system that are present on Earth cause the bones to decalcify. Trabecular structure decreases in thickness and increases in spacing, resulting in decreased bone strength and increased risk of injury. Thus, monitoring bone health is a high priority for long-term space travel. A single probe covering all frequency bands of interest would be ideal for such measurements, and this would also minimize storage space and eliminate the complexity of integrating multiple probes. This invention is an ultrasound transducer for the structural characterization of bone. Such characterization measures features of reflected and transmitted ultrasound signals, and correlates these signals with bone structure metrics such as bone mineral density, trabecular spacing, and thickness, etc. The techniques used to determine these various metrics require measurements over a broad range of ultrasound frequencies, and therefore, complete characterization requires the use of several narrowband transducers. This is a single transducer capable of making these measurements in all the required frequency bands. The device achieves this capability through a unique combination of a broadband piezoelectric material; a design incorporating multiple resonator sizes with distinct, overlapping frequency spectra; and a micromachining process for producing the multiple-resonator pattern with common electrode surfaces between the resonators. This device consists of a pattern of resonator bars with common electrodes that is wrapped around a central mandrel such that the radiating faces of the resonators are coplanar and can be simultaneously applied to the sample to be measured. The device operates as both a source and receiver of acoustic energy. It is operated by connection to an electronic system capable of both providing an

  19. Non-Covalent Interactions and Impact of Charge Penetration Effects in Linear Oligoacene Dimers and Single Crystals

    KAUST Repository

    Ryno, Sean


    Non-covalent interactions determine in large part the thermodynamic aspects of molecular packing in organic crystals. Using a combination of symmetry-adapted perturbation theory (SAPT) and classical multipole electrostatics, we describe the interaction potential energy surfaces for dimers of the oligoacene family, from benzene to hexacene. An analysis of these surfaces and a thorough assessment of dimers extracted from the reported crystal structures underline that high-order interactions (i.e., three-body non-additive interactions) must be considered in order to rationalize the details of the crystal structures. A comparison of the SAPT electrostatic energy with the multipole interaction energy demonstrates the importance of the contribution of charge penetration, which is shown to account for up to 50% of the total interaction energy in dimers extracted from the experimental single crystals; in the case of the most stable co-facial model dimers, this contribution is even larger than the total interaction energy. Our results highlight the importance of taking account of charge penetration in studies of the larger oligoacenes.

  20. Study of photoluminescence from annealed bulk-ZnO single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Yoneta, M.; Ohishi, M.; Saito, H. [Department of Applied Physics, Okayama University of Science, 1-1 Ridai-cho, Okayama 700-0005 (Japan); Yoshino, K. [Department of Electrical and Electronic Engineering, Miyazaki University, 1-1 Gakuen Kibanadai-nishi, Miyazaki 889-2192 (Japan); Honda, M. [Faculty of Science, Naruto University of Education, 748 Nakajima, Takashima, Naruto-cho, Naruto-shi 772-8502 (Japan)


    We have investigated the influence of rapid thermal annealing on the photoluminescence of bulk-ZnO single crystal. As-grown ZnO wafer, illuminated by 325 nm ultraviolet light at 4.2 K, emitted the visible luminescence of pale green centered of 2.29 eV. The luminescence was observed by the anneal at the temperature range between 400 C and 1000 C, however, its intensity decreased with anneal temperature. The free-exciton and the 2.18 eV emission line were obtained by the anneal at 1200 C for 60 sec. From the X-ray diffraction and the surface morphology measurements, the improvement of the crystallinity of bulk-ZnO crystal were confirmed. We suggest that a rapid thermal annealing technique is convenience to improve the the quality of bul-ZnO single crystals. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)