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Sample records for single crystal organic

  1. Azeotropic binary solvent mixtures for preparation of organic single crystals

    NARCIS (Netherlands)

    Li, X.; Kjellander, B.K.C.; Anthony, J.E.; Bastiaansen, C.W.M.; Broer, D.J.; Gelinck, G.H.

    2009-01-01

    Here, a new approach is introduced to prepare large single crystals of π-conjugated organic molecules from solution. Utilizing the concept of azeotropism, single crystals of tri-isopropylsilylethynyl pentacene (TIPS-PEN) with dimensions up to millimeters are facilely self-assembled from homogeneous

  2. Azeotropic binary solvent mixtures for preparation of organic single crystals

    NARCIS (Netherlands)

    Li, X.; Kjellander, B.K.C.; Anthony, J.E.; Bastiaansen, C.W.M.; Broer, D.J.; Gelinck, G.H.

    2009-01-01

    Here, a new approach is introduced to prepare large single crystals of p-conjugated organic molecules from solution. Utilizing the concept of azeotropism, single crystals of tri-isopropylsilylethynyl pentacene (TIPS-PEN) with dimensions up to millimeters are facilely self-assembled from homogeneous

  3. Heterogeneous Monolithic Integration of Single-Crystal Organic Materials.

    Science.gov (United States)

    Park, Kyung Sun; Baek, Jangmi; Park, Yoonkyung; Lee, Lynn; Hyon, Jinho; Koo Lee, Yong-Eun; Shrestha, Nabeen K; Kang, Youngjong; Sung, Myung Mo

    2017-02-01

    Manufacturing high-performance organic electronic circuits requires the effective heterogeneous integration of different nanoscale organic materials with uniform morphology and high crystallinity in a desired arrangement. In particular, the development of high-performance organic electronic and optoelectronic devices relies on high-quality single crystals that show optimal intrinsic charge-transport properties and electrical performance. Moreover, the heterogeneous integration of organic materials on a single substrate in a monolithic way is highly demanded for the production of fundamental organic electronic components as well as complex integrated circuits. Many of the various methods that have been designed to pattern multiple heterogeneous organic materials on a substrate and the heterogeneous integration of organic single crystals with their crystal growth are described here. Critical issues that have been encountered in the development of high-performance organic integrated electronics are also addressed. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Light emission from organic single crystals operated by electrolyte doping

    Science.gov (United States)

    Matsuki, Keiichiro; Sakanoue, Tomo; Yomogida, Yohei; Hotta, Shu; Takenobu, Taishi

    2018-03-01

    Light-emitting devices based on electrolytes, such as light-emitting electrochemical cells (LECs) and electric double-layer transistors (EDLTs), are solution-processable devices with a very simple structure. Therefore, it is necessary to apply this device structure into highly fluorescent organic materials for future printed applications. However, owing to compatibility problems between electrolytes and organic crystals, electrolyte-based single-crystal light-emitting devices have not yet been demonstrated. Here, we report on light-emitting devices based on organic single crystals and electrolytes. As the fluorescent materials, α,ω-bis(biphenylyl)terthiophene (BP3T) and 5,6,11,12-tetraphenylnaphthacene (rubrene) single crystals were selected. Using ionic liquids as electrolytes, we observed clear light emission from BP3T LECs and rubrene EDLTs.

  5. Organic field-effect transistors using single crystals

    International Nuclear Information System (INIS)

    Hasegawa, Tatsuo; Takeya, Jun

    2009-01-01

    Organic field-effect transistors using small-molecule organic single crystals are developed to investigate fundamental aspects of organic thin-film transistors that have been widely studied for possible future markets for 'plastic electronics'. In reviewing the physics and chemistry of single-crystal organic field-effect transistors (SC-OFETs), the nature of intrinsic charge dynamics is elucidated for the carriers induced at the single crystal surfaces of molecular semiconductors. Materials for SC-OFETs are first reviewed with descriptions of the fabrication methods and the field-effect characteristics. In particular, a benchmark carrier mobility of 20-40 cm 2 Vs -1 , achieved with thin platelets of rubrene single crystals, demonstrates the significance of the SC-OFETs and clarifies material limitations for organic devices. In the latter part of this review, we discuss the physics of microscopic charge transport by using SC-OFETs at metal/semiconductor contacts and along semiconductor/insulator interfaces. Most importantly, Hall effect and electron spin resonance (ESR) measurements reveal that interface charge transport in molecular semiconductors is properly described in terms of band transport and localization by charge traps. (topical review)

  6. Organic field-effect transistors using single crystals

    Directory of Open Access Journals (Sweden)

    Tatsuo Hasegawa and Jun Takeya

    2009-01-01

    Full Text Available Organic field-effect transistors using small-molecule organic single crystals are developed to investigate fundamental aspects of organic thin-film transistors that have been widely studied for possible future markets for 'plastic electronics'. In reviewing the physics and chemistry of single-crystal organic field-effect transistors (SC-OFETs, the nature of intrinsic charge dynamics is elucidated for the carriers induced at the single crystal surfaces of molecular semiconductors. Materials for SC-OFETs are first reviewed with descriptions of the fabrication methods and the field-effect characteristics. In particular, a benchmark carrier mobility of 20–40 cm2 Vs−1, achieved with thin platelets of rubrene single crystals, demonstrates the significance of the SC-OFETs and clarifies material limitations for organic devices. In the latter part of this review, we discuss the physics of microscopic charge transport by using SC-OFETs at metal/semiconductor contacts and along semiconductor/insulator interfaces. Most importantly, Hall effect and electron spin resonance (ESR measurements reveal that interface charge transport in molecular semiconductors is properly described in terms of band transport and localization by charge traps.

  7. Three-dimensional charge transport in organic semiconductor single crystals.

    Science.gov (United States)

    He, Tao; Zhang, Xiying; Jia, Jiong; Li, Yexin; Tao, Xutang

    2012-04-24

    Three-dimensional charge transport anisotropy in organic semiconductor single crystals - both plates and rods (above and below, respectively, in the figure) - is measured in well-performing organic field-effect transistors for the first time. The results provide an excellent model for molecular design and device preparation that leads to good performance. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

    Science.gov (United States)

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

    2018-01-01

    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.

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

    KAUST Repository

    Shen, Kui

    2018-01-16

    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.

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

    KAUST Repository

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

    2018-01-01

    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.

  11. 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: rajeshnp@hotmail.com [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)

    2011-09-15

    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.

  12. single crystals

    Indian Academy of Sciences (India)

    2018-05-18

    May 18, 2018 ... Abstract. 4-Nitrobenzoic acid (4-NBA) single crystals were studied for their linear and nonlinear optical ... studies on the proper growth, linear and nonlinear optical ..... between the optic axes and optic sign of the biaxial crystal.

  13. 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)

    2016-04-11

    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.

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

    Science.gov (United States)

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

    2014-11-01

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

  15. Precipitation of thin-film organic single crystals by a novel crystal growth method using electrospray and ionic liquid film

    Science.gov (United States)

    Ueda, Hiroyuki; Takeuchi, Keita; Kikuchi, Akihiko

    2018-04-01

    We report an organic single crystal growth technique, which uses a nonvolatile liquid thin film as a crystal growth field and supplies fine droplets containing solute from the surface of the liquid thin film uniformly and continuously by electrospray deposition. Here, we investigated the relationships between the solute concentration of the supplied solution and the morphology and size of precipitated crystals for four types of fluorescent organic low molecule material [tris(8-hydroxyquinoline)aluminum (Alq3), 2-(4-biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole (PBD), N,N‧-bis(3-methylphenyl)-N,N‧-diphenylbenzidine (TPD), and N,N-bis(naphthalene-1-yl)-N,N-diphenyl-benzidine (NPB)] using an ionic liquid as the nonvolatile liquid. As the concentration of the supplied solution decreased, the morphology of precipitated crystals changed from dendritic or leaf shape to platelike one. At the solution concentration of 0.1 mg/ml, relatively large platelike single crystals with a diagonal length of over 100 µm were obtained for all types of material. In the experiment using ionic liquid and dioctyl sebacate as nonvolatile liquids, it was confirmed that there is a clear positive correlation between the maximum volume of the precipitated single crystal and the solubility of solute under the same solution supply conditions.

  16. Patterning solution-processed organic single-crystal transistors with high device performance

    Directory of Open Access Journals (Sweden)

    Yun Li

    2011-06-01

    Full Text Available We report on the patterning of organic single-crystal transistors with high device performance fabricated via a solution process under ambient conditions. The semiconductor was patterned on substrates via surface selective deposition. Subsequently, solvent-vapor annealing was performed to reorganize the semiconductor into single crystals. The transistors exhibited field-effect mobility (μFET of up to 3.5 cm2/V s. Good reliability under bias-stress conditions indicates low density of intrinsic defects in crystals and low density of traps at the active interfaces. Furthermore, the Y function method clearly suggests that the variation of μFET of organic crystal transistors was caused by contact resistance. Further improvement of the device with higher μFET with smaller variation can be expected when lower and more uniform contact resistance is achieved.

  17. Epitaxial Growth of an Organic p-n Heterojunction: C60 on Single-Crystal Pentacene.

    Science.gov (United States)

    Nakayama, Yasuo; Mizuno, Yuta; Hosokai, Takuya; Koganezawa, Tomoyuki; Tsuruta, Ryohei; Hinderhofer, Alexander; Gerlach, Alexander; Broch, Katharina; Belova, Valentina; Frank, Heiko; Yamamoto, Masayuki; Niederhausen, Jens; Glowatzki, Hendrik; Rabe, Jürgen P; Koch, Norbert; Ishii, Hisao; Schreiber, Frank; Ueno, Nobuo

    2016-06-01

    Designing molecular p-n heterojunction structures, i.e., electron donor-acceptor contacts, is one of the central challenges for further development of organic electronic devices. In the present study, a well-defined p-n heterojunction of two representative molecular semiconductors, pentacene and C60, formed on the single-crystal surface of pentacene is precisely investigated in terms of its growth behavior and crystallographic structure. C60 assembles into a (111)-oriented face-centered-cubic crystal structure with a specific epitaxial orientation on the (001) surface of the pentacene single crystal. The present experimental findings provide molecular scale insights into the formation mechanisms of the organic p-n heterojunction through an accurate structural analysis of the single-crystalline molecular contact.

  18. 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: yamasita@kit.ac.jp [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)

    2016-08-08

    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.

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

    Science.gov (United States)

    Goto, Kaname; Yamashita, Kenichi; Yanagi, Hisao; Yamao, Takeshi; Hotta, Shu

    2016-08-01

    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.

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

    International Nuclear Information System (INIS)

    Goto, Kaname; Yamashita, Kenichi; Yanagi, Hisao; Yamao, Takeshi; Hotta, Shu

    2016-01-01

    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.

  1. Anisotropic charge transport in large single crystals of π-conjugated organic molecules.

    Science.gov (United States)

    Hourani, Wael; Rahimi, Khosrow; Botiz, Ioan; Koch, Felix Peter Vinzenz; Reiter, Günter; Lienerth, Peter; Heiser, Thomas; Bubendorff, Jean-Luc; Simon, Laurent

    2014-05-07

    The electronic properties of organic semiconductors depend strongly on the nature of the molecules, their conjugation and conformation, their mutual distance and the orientation between adjacent molecules. Variations of intramolecular distances and conformation disturb the conjugation and perturb the delocalization of charges. As a result, the mobility considerably decreases compared to that of a covalently well-organized crystal. Here, we present electrical characterization of large single crystals made of the regioregular octamer of 3-hexyl-thiophene (3HT)8 using a conductive-atomic force microscope (C-AFM) in air. We find a large anisotropy in the conduction with charge mobility values depending on the crystallographic orientation of the single crystal. The smaller conduction is in the direction of π-π stacking (along the long axis of the single crystal) with a mobility value in the order of 10(-3) cm(2) V(-1) s(-1), and the larger one is along the molecular axis (in the direction normal to the single crystal surface) with a mobility value in the order of 0.5 cm(2) V(-1) s(-1). The measured current-voltage (I-V) curves showed that along the molecular axis, the current followed an exponential dependence corresponding to an injection mode. In the π-π stacking direction, the current exhibits a space charge limited current (SCLC) behavior, which allows us to estimate the charge carrier mobility.

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

    DEFF Research Database (Denmark)

    Bjørnholm, Thomas

    2009-01-01

    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...... including inverters and NOR and NAND logic gates, opening new opportunities for organic nanoelectronics and highly sophisticated integrated logic devices....

  3. XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.

    Science.gov (United States)

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

    2018-01-17

    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.

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

    Science.gov (United States)

    Niazi, Muhammad R; Li, Ruipeng; Qiang Li, Er; Kirmani, Ahmad R; Abdelsamie, Maged; Wang, Qingxiao; Pan, Wenyang; Payne, Marcia M; Anthony, John E; Smilgies, Detlef-M; Thoroddsen, Sigurdur T; Giannelis, Emmanuel P; Amassian, Aram

    2015-11-23

    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 cm(2) V(-1) s(-1), low threshold voltages oforganic semiconductor films with transport properties and other figures of merit on par with their single-crystal counterparts.

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

    Science.gov (United States)

    Kotsuki, Kenji; Obata, Seiji; Saiki, Koichiro

    2016-01-19

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

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

    KAUST Repository

    Niazi, Muhammad Rizwan; Li, Ruipeng; Li, Erqiang; Kirmani, Ahmad R.; Abdelsamie, Maged; Wang, Qingxiao; Pan, Wenyang; Payne, Marcia M.; Anthony, John E.; Smilgies, Detlef-M.; Thoroddsen, Sigurdur T; Giannelis, Emmanuel P.; Amassian, Aram

    2015-01-01

    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.

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

    KAUST Repository

    Niazi, Muhammad Rizwan

    2015-11-23

    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.

  8. Organic semiconductor crystals.

    Science.gov (United States)

    Wang, Chengliang; Dong, Huanli; Jiang, Lang; Hu, Wenping

    2018-01-22

    Organic semiconductors have attracted a lot of attention since the discovery of highly doped conductive polymers, due to the potential application in field-effect transistors (OFETs), light-emitting diodes (OLEDs) and photovoltaic cells (OPVs). Single crystals of organic semiconductors are particularly intriguing because they are free of grain boundaries and have long-range periodic order as well as minimal traps and defects. Hence, organic semiconductor crystals provide a powerful tool for revealing the intrinsic properties, examining the structure-property relationships, demonstrating the important factors for high performance devices and uncovering fundamental physics in organic semiconductors. This review provides a comprehensive overview of the molecular packing, morphology and charge transport features of organic semiconductor crystals, the control of crystallization for achieving high quality crystals and the device physics in the three main applications. We hope that this comprehensive summary can give a clear picture of the state-of-art status and guide future work in this area.

  9. 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

    2017-12-01

    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.

  10. Growth and dielectric, mechanical, thermal and etching studies of an organic nonlinear optical L-arginine trifluoroacetate (LATF) single crystal

    International Nuclear Information System (INIS)

    Arjunan, S.; Mohan Kumar, R.; Mohan, R.; Jayavel, R.

    2008-01-01

    L-arginine trifluoroacetate, an organic nonlinear optical material, has been synthesized from aqueous solution. Bulk single crystal of dimension 57 mm x 5 mm x 3 mm has been grown by temperature lowering technique. Powder X-ray diffraction studies confirmed the monoclinic structure of the grown L-arginine trifluoroacetate crystal. Linear optical property of the grown crystal has been studied by UV-vis spectrum. Dielectric response of the L-arginine trifluoroacetate crystal was analysed for different frequencies and temperatures in detail. Microhardness study on the sample reveals that the crystal possesses relatively higher hardness compared to many organic crystals. Thermal analyses confirmed that the L-arginine trifluoroacetate material is thermally stable upto 212 deg. C. The etching studies have been performed to assess the perfection of the L-arginine trifluoroacetate crystal. Kurtz powder second harmonic generation test confirms the nonlinear optical properties of the as-grown L-arginine trifluoroacetate crystal

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

    Science.gov (United States)

    Bae, Seo-Yoon; Kim, Dongwook; Shin, Dongbin; Mahmood, Javeed; Jeon, In-Yup; Jung, Sun-Min; Shin, Sun-Hee; Kim, Seok-Jin; Park, Noejung; Lah, Myoung Soo; Baek, Jong-Beom

    2017-11-17

    Solid-state reaction of organic molecules holds a considerable advantage over liquid-phase processes in the manufacturing industry. However, the research progress in exploring this benefit is largely staggering, which leaves few liquid-phase systems to work with. Here, we show a synthetic protocol for the formation of a three-dimensional porous organic network via solid-state explosion of organic single crystals. The explosive reaction is realized by the Bergman reaction (cycloaromatization) of three enediyne groups on 2,3,6,7,14,15-hexaethynyl-9,10-dihydro-9,10-[1,2]benzenoanthracene. The origin of the explosion is systematically studied using single-crystal X-ray diffraction and differential scanning calorimetry, along with high-speed camera and density functional theory calculations. The results suggest that the solid-state explosion is triggered by an abrupt change in lattice energy induced by release of primer molecules in the 2,3,6,7,14,15-hexaethynyl-9,10-dihydro-9,10-[1,2]benzenoanthracene crystal lattice.

  12. Low-Threshold Lasing from 2D Homologous Organic-Inorganic Hybrid Ruddlesden-Popper Perovskite Single Crystals.

    Science.gov (United States)

    Raghavan, Chinnambedu Murugesan; Chen, Tzu-Pei; Li, Shao-Sian; Chen, Wei-Liang; Lo, Chao-Yuan; Liao, Yu-Ming; Haider, Golam; Lin, Cheng-Chieh; Chen, Chia-Chun; Sankar, Raman; Chang, Yu-Ming; Chou, Fang-Cheng; Chen, Chun-Wei

    2018-05-09

    Organic-inorganic hybrid two-dimensional (2D) perovskites have recently attracted great attention in optical and optoelectronic applications due to their inherent natural quantum-well structure. We report the growth of high-quality millimeter-sized single crystals belonging to homologous two-dimensional (2D) hybrid organic-inorganic Ruddelsden-Popper perovskites (RPPs) of (BA) 2 (MA) n-1 Pb n I 3 n+1 ( n = 1, 2, and 3) by a slow evaporation at a constant-temperature (SECT) solution-growth strategy. The as-grown 2D hybrid perovskite single crystals exhibit excellent crystallinity, phase purity, and spectral uniformity. Low-threshold lasing behaviors with different emission wavelengths at room temperature have been observed from the homologous 2D hybrid RPP single crystals. Our result demonstrates that solution-growth homologous organic-inorganic hybrid 2D perovskite single crystals open up a new window as a promising candidate for optical gain media.

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

    Directory of Open Access Journals (Sweden)

    R. S. Sreenivasan

    2013-01-01

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

  14. Temperature Dependent Surface Structures and Electronic Properties of Organic-Inorganic Hybrid Perovskite Single Crystals

    Science.gov (United States)

    Jao, M.-H.; Teague, M. L.; Huang, J.-S.; Tseng, W.-S.; Yeh, N.-C.

    Organic-inorganic hybrid perovskites, arising from research of low-cost high performance photovoltaics, have become promising materials not only for solar cells but also for various optoelectronic and spintronic applications. An interesting aspect of the hybrid perovskites is that their material properties, such as the band gap, can be easily tuned by varying the composition, temperature, and the crystalline phases. Additionally, the surface structure is critically important for their optoelectronic applications. It is speculated that different crystalline facets could show different trap densities, thus resulting in microscopically inhomogeneous performance. Here we report direct studies of the surface structures and electronic properties of hybrid perovskite CH3NH3PbI3 single crystals by scanning tunneling microscopy and spectroscopy (STM/STS). We found long-range spatially homogeneous tunneling conductance spectra with a well-defined energy gap of (1.55 +/- 0.1) eV at 300 K in the tetragonal phase, suggesting high quality of the single crystals. The energy gap increased to (1.81 +/- 0.1) eV in the orthorhombic phase, below the tetragonal-to-orthorhombic phase transition temperature at 150 K. Detailed studies of the temperature evolution in the spatially resolved surface structures and local density of states will be discussed to elucidate how these properties may influence the optoelectronic performance of the hybrid perovskites. We thank the support from NTU in Taiwan and from NSF in the US.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-03-31

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

  16. Organic Single-Crystal Semiconductor Films on a Millimeter Domain Scale.

    Science.gov (United States)

    Kwon, Sooncheol; Kim, Jehan; Kim, Geunjin; Yu, Kilho; Jo, Yong-Ryun; Kim, Bong-Joong; Kim, Junghwan; Kang, Hongkyu; Park, Byoungwook; Lee, Kwanghee

    2015-11-18

    Nucleation and growth processes can be effectively controlled in organic semiconductor films through a new concept of template-mediated molecular crystal seeds during the phase transition; the effective control of these processes ensures millimeter-scale crystal domains, as well as the performance of the resulting organic films with intrinsic hole mobility of 18 cm(2) V(-1) s(-1). © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Dimer self-organization of impurity ytterbium ions in synthetic forsterite single crystals

    Science.gov (United States)

    Tarasov, V. F.; Sukhanov, A. A.; Dudnikova, V. B.; Zharikov, E. V.; Lis, D. A.; Subbotin, K. A.

    2017-07-01

    Paramagnetic centers formed by impurity Yb3+ ions in synthetic forsterite (Mg2SiO4) grown by the Czochralski technique are studied by X-band CW and pulsed EPR spectroscopy. These centers are single ions substituting magnesium in two different crystallographic positions denoted M1 and M2, and dimer associates formed by two Yb3+ ions in nearby positions M1. It is established that there is a pronounced mechanism favoring self-organization of ytterbium ions in dimer associates during the crystal growth, and the mechanism of the spin-spin coupling between ytterbium ions in the associate has predominantly a dipole-dipole character, which makes it possible to control the energy of the spin-spin interaction by changing the orientation of the external magnetic field. The structural computer simulation of cluster ytterbium centers in forsterite crystals is carried out by the method of interatomic potentials using the GULP 4.0.1 code (General Utility Lattice Program). It is established that the formation of dimer associates in the form of a chain parallel to the crystallographic axis consisting of two ytterbium ions with a magnesium vacancy between them is the most energetically favorable for ytterbium ions substituting magnesium in the position M1.

  18. Intercalation of organic molecules into SnS{sub 2} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Toh, M.L.; Tan, K.J.; Wei, F.X.; Zhang, K.K.; Jiang, H. [School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Ave., Singapore 639798 (Singapore); Kloc, C., E-mail: ckloc@ntu.edu.sg [School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Ave., Singapore 639798 (Singapore)

    2013-02-15

    SnS{sub 2} is a layered semiconductor with a van der Waals gap separating the covalently bonded layers. In this study, post-synthesis intercalation of donor organic amine molecules, such as ethylenediamine (en), into tin disulfide and secondary intercalation of p-phenylenediamine (PPD) and 1, 5-naphthalenediamine (NDA) into SnS{sub 2e}n have been verified with X-ray diffraction. PPD and NDA did not intercalate directly even during prolonged annealing but replaced en readily if en was already present in the van der Waals gap. The c-lattice dilation is proportional to the intercalant size. Unit cell lattices of intercalated products were determined from the positions of the X-ray diffraction peaks. Optical images taken during the intercalation showed that intercalation progressed from the periphery towards the interior of the crystal. TEM diffraction patterns in the [0 0 1] direction of SnS{sub 2} after intercalation revealed defects and stacking mismatches among the SnS{sub 2} layers caused by the intercalation. UV-Vis absorption studies showed a red shift in the band edge of the SnS{sub 2} material after intercalation. The band edge was 2.2 eV for pristine SnS{sub 2}; after intercalation with en or PPD, the absorbance spectra band edges shifted to approximately 0.7 eV or 0.5 eV, respectively. - Graphical Abstract: SnS{sub 2} single crystals were intercalated with organic amine molecules such as ethylenediamine, phenylenediamine and naphthalenediamine. Absorption studies showed red shift of band edge after intercalation, which was consistent with optical observations. X-ray diffraction indicated lattice dilation in the c-lattice of SnS{sub 2} after intercalation. Highlights: Black-Right-Pointing-Pointer Organic molecules intercalated inhomogenously between covalently bonded SnS{sub 2} layers. Black-Right-Pointing-Pointer Ethylenediamine (en) intercalate directly into SnS{sub 2}. Black-Right-Pointing-Pointer Phenylenediamine (PPD) and naphthalenediamine (NDA) can be

  19. Intercalation of organic molecules into SnS2 single crystals

    International Nuclear Information System (INIS)

    Toh, M.L.; Tan, K.J.; Wei, F.X.; Zhang, K.K.; Jiang, H.; Kloc, C.

    2013-01-01

    SnS 2 is a layered semiconductor with a van der Waals gap separating the covalently bonded layers. In this study, post-synthesis intercalation of donor organic amine molecules, such as ethylenediamine (en), into tin disulfide and secondary intercalation of p-phenylenediamine (PPD) and 1, 5-naphthalenediamine (NDA) into SnS 2e n have been verified with X-ray diffraction. PPD and NDA did not intercalate directly even during prolonged annealing but replaced en readily if en was already present in the van der Waals gap. The c-lattice dilation is proportional to the intercalant size. Unit cell lattices of intercalated products were determined from the positions of the X-ray diffraction peaks. Optical images taken during the intercalation showed that intercalation progressed from the periphery towards the interior of the crystal. TEM diffraction patterns in the [0 0 1] direction of SnS 2 after intercalation revealed defects and stacking mismatches among the SnS 2 layers caused by the intercalation. UV–Vis absorption studies showed a red shift in the band edge of the SnS 2 material after intercalation. The band edge was 2.2 eV for pristine SnS 2 ; after intercalation with en or PPD, the absorbance spectra band edges shifted to approximately 0.7 eV or 0.5 eV, respectively. - Graphical Abstract: SnS 2 single crystals were intercalated with organic amine molecules such as ethylenediamine, phenylenediamine and naphthalenediamine. Absorption studies showed red shift of band edge after intercalation, which was consistent with optical observations. X-ray diffraction indicated lattice dilation in the c-lattice of SnS 2 after intercalation. Highlights: ► Organic molecules intercalated inhomogenously between covalently bonded SnS 2 layers. ► Ethylenediamine (en) intercalate directly into SnS 2 . ► Phenylenediamine (PPD) and naphthalenediamine (NDA) can be intercalated into SnS 2 secondary. ► In a secondary intercalation the bonds between layers are weakened by direct

  20. 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: nagapandiselvip@ssn.edu.in [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)

    2016-09-15

    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.

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

    Science.gov (United States)

    Sundaram, S. John; Raj, A. Antony; Ramaclus, Jerald V.; Sagayaraj, P.

    2016-05-01

    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.

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

    International Nuclear Information System (INIS)

    Sundaram, S. John; Ramaclus, Jerald V.; Sagayaraj, P.; Raj, A. Antony

    2016-01-01

    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.

  3. Single crystalline growth of a soluble organic semiconductor in a parallel aligned liquid crystal solvent using rubbing-treated polyimide films

    Science.gov (United States)

    Matsuzaki, Tomoya; Shibata, Yosei; Takeda, Risa; Ishinabe, Takahiro; Fujikake, Hideo

    2017-01-01

    For directional control of organic single crystals, we propose a crystal growth method using liquid crystal as the solvent. In this study, we examined the formation of 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C8-BTBT) single crystals using a parallel aligned liquid crystal (LC) cell and rubbing-treated polyimide films in order to clarify the effects of LC alignment on anisotropic C8-BTBT crystal growth. Based on the results, we found that the crystal growth direction of C8-BTBT single crystals was related to the direction of the aligned LC molecules because of rubbing treatment. Moreover, by optical evaluation, we found that the C8-BTBT single crystals have a aligned molecular structure.

  4. Spatial organization of plastic deformation in single crystals with different structure of slip dislocation

    Energy Technology Data Exchange (ETDEWEB)

    Kunitsyna, T. S.; Teplyakova, L. A., E-mail: lat168@mail.ru; Koneva, N. A. [Tomsk State University of Architecture and Building, Tomsk, 634003 (Russian Federation); Poltaranin, M. A. [National Research Tomsk Polytechnic University, Tomsk, 634050 (Russian Federation)

    2015-10-27

    It is established that different structure of slip dislocation at the end of the linear hardening stage results in different distribution of dislocation charges in the volume of a single crystal. In the alloy with a near atomic order the slip of single dislocations leads to formation of planar structures—layers with the excess density of dislocations. In the alloy with long-range atomic order the slip of superdislocations brings the formation of the system of parallel rod-like charged dislocation linking.

  5. A multistep single-crystal-to-single-crystal bromodiacetylene dimerization

    Science.gov (United States)

    Hoheisel, Tobias N.; Schrettl, Stephen; Marty, Roman; Todorova, Tanya K.; Corminboeuf, Clémence; Sienkiewicz, Andrzej; Scopelliti, Rosario; Schweizer, W. Bernd; Frauenrath, Holger

    2013-04-01

    Packing constraints and precise placement of functional groups are the reason that organic molecules in the crystalline state often display unusual physical or chemical properties not observed in solution. Here we report a single-crystal-to-single-crystal dimerization of a bromodiacetylene that involves unusually large atom displacements as well as the cleavage and formation of several bonds. Density functional theory computations support a mechanism in which the dimerization is initiated by a [2 + 1] photocycloaddition favoured by the nature of carbon-carbon short contacts in the crystal structure. The reaction proceeded up to the theoretical degree of conversion without loss of crystallinity, and it was also performed on a preparative scale with good yield. Moreover, it represents the first synthetic pathway to (E)-1,2-dibromo-1,2-diethynylethenes, which could serve as synthetic intermediates for the preparation of molecular carbon scaffolds. Our findings both extend the scope of single-crystal-to-single-crystal reactions and highlight their potential as a synthetic tool for complex transformations.

  6. The fabrication and characterization of organic light-emitting diodes using transparent single-crystal Si membranes

    International Nuclear Information System (INIS)

    Lee, Su-Hwan; Kim, Dal-Ho; Kim, Ji-Heon; Lee, Gon-Sub; Park, Jea-Gun; Takeo, Katoh

    2009-01-01

    For applications such as solar cells and displays, transparent single-crystal Si membranes were fabricated on a silicon-on-insulator (SOI) wafer. The SOI wafer included a buried layer of SiO 2 and Si 3 N 4 as an etch-stop layer. The etch-stop layer enabled fabrication of transparent single-crystal Si membranes with various thicknesses, and the thinning technology is described. For membranes with thicknesses of 18, 72 and 5000 nm, the respective optical transparent were 96.9%, 93.7% and 9% for R (red, λ = 660 nm), 96.9%, 91.4% and 1% for G (green, λ = 525 nm), and 97.0%, 93.2% and 0% for B (blue, λ = 470 nm). Organic light-emitting diodes (OLEDs) were then fabricated on transparent single-crystal Si membranes with various top Si thicknesses. OLEDs fabricated on 18, 72 and 5000 nm thick membranes and operated at 6 V demonstrated a luminance of 1350, 443 and 27 cd m -2 at the current densities of 148, 131 and 1.5 mA cm -2 , respectively.

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

    International Nuclear Information System (INIS)

    Boldyreva, E V; Goryainov, S V; Seryotkin, Y V; Kolesnik, E N; Shakhtshneider, T P; Ivashevskaya, S N; Drebushchak, T N; Sowa, H; Ahsbahs, H; Chernyshev, V V; Dmitriev, V P

    2008-01-01

    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, β-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

  8. 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: boldyrev@nsu.ru

    2008-07-15

    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.

  9. Synthesis, structure, growth and characterization of a novel organic NLO single crystal: Morpholin-4-ium p-aminobenzoate

    Energy Technology Data Exchange (ETDEWEB)

    Shanmugam, G. [Department of Physics, Anna University of Technology Tiruchirappalli, Tiruchirappalli 620024 (India); Ravi Kumar, K.; Sridhar, B. [X-ray Crystallography Division, Indian Institute of Chemical Technology, CSIR, Hyderabad 500007 (India); Brahadeeswaran, S., E-mail: sbrag67@yahoo.com [Department of Physics, Anna University of Technology Tiruchirappalli, Tiruchirappalli 620024 (India)

    2012-09-15

    Highlights: ► A new organic NLO crystal morpholin-4-ium p-aminobenzoate has been grown for the first time. ► The structure is reported for the first time in the literature. ► Thermal, optical and SHG studies suggest its suitability for various NLO applications. -- Abstract: The title compound, morpholin-4-ium p-aminobenzoate (MPABA)(C{sub 4}H{sub 10}NO{sup +},C{sub 7}H{sub 6}NO{sub 2}{sup −}), has been synthesized for the first time by the addition of morpholine with 4-aminobenzoic acid in equi-molar ratio and good quality single crystals have been grown by solution growth technique using methanol as a solvent. The molecular structure of the compound was solved and refined by Direct Methods using SHELXS97 and full-matrix least-squares technique using SHELXL97, respectively. MPABA crystallizes in a monoclinic system with unit cell parameters, a = 5.948(5) Å, b = 18.033(4) Å, c = 10.577(5) Å, β = 90.40(1)° and non-centrosymmetric space group Cc. The experimentally measured density and chemical compositions were found to be in good agreement with the theoretical values. The phases and functional groups of MPABA have been identified and confirmed through powder X-ray diffraction and Fourier transform infrared (FTIR) studies, respectively. The thermal stability and decomposition details were studied through TG/DTA thermograms. The UV–visible transmission spectra were recorded for the grown crystal and its NLO characteristic was explored by powder second harmonic generation (SHG) studies.

  10. Synthesis, structure, growth and characterization of a novel organic NLO single crystal: Morpholin-4-ium p-aminobenzoate

    International Nuclear Information System (INIS)

    Shanmugam, G.; Ravi Kumar, K.; Sridhar, B.; Brahadeeswaran, S.

    2012-01-01

    Highlights: ► A new organic NLO crystal morpholin-4-ium p-aminobenzoate has been grown for the first time. ► The structure is reported for the first time in the literature. ► Thermal, optical and SHG studies suggest its suitability for various NLO applications. -- Abstract: The title compound, morpholin-4-ium p-aminobenzoate (MPABA)(C 4 H 10 NO + ,C 7 H 6 NO 2 − ), has been synthesized for the first time by the addition of morpholine with 4-aminobenzoic acid in equi-molar ratio and good quality single crystals have been grown by solution growth technique using methanol as a solvent. The molecular structure of the compound was solved and refined by Direct Methods using SHELXS97 and full-matrix least-squares technique using SHELXL97, respectively. MPABA crystallizes in a monoclinic system with unit cell parameters, a = 5.948(5) Å, b = 18.033(4) Å, c = 10.577(5) Å, β = 90.40(1)° and non-centrosymmetric space group Cc. The experimentally measured density and chemical compositions were found to be in good agreement with the theoretical values. The phases and functional groups of MPABA have been identified and confirmed through powder X-ray diffraction and Fourier transform infrared (FTIR) studies, respectively. The thermal stability and decomposition details were studied through TG/DTA thermograms. The UV–visible transmission spectra were recorded for the grown crystal and its NLO characteristic was explored by powder second harmonic generation (SHG) studies.

  11. Relating mechanical properties and chemical bonding in an inorganic-organic framework material: a single-crystal nanoindentation study.

    Science.gov (United States)

    Tan, Jin Chong; Furman, Joshua D; Cheetham, Anthony K

    2009-10-14

    We report the application of nanoindentation and atomic force microscopy to establish the fundamental relationships between mechanical properties and chemical bonding in a dense inorganic-organic framework material: Ce(C(2)O(4))(HCO(2)), 1. Compound 1 is a mixed-ligand 3-D hybrid which crystallizes in an orthorhombic space group, in which its three basic building blocks, i.e. the inorganic metal-oxygen-metal (M-O-M) chains and the two organic bridging ligands, (oxalate and formate) are all oriented perpendicular to one another. This unique architecture enabled us to decouple the elastic and plastic mechanical responses along the three primary axes of a single crystal to understand the contribution associated with stiff vs compliant basic building blocks. The (001)-oriented facet that features rigid oxalate ligands down the c-axis exhibits the highest stiffness and hardness (E approximately 78 GPa and H approximately 4.6 GPa). In contrast, the (010)-oriented facet was found to be the most compliant and soft (E approximately 43 GPa and H approximately 3.9 GPa), since the formate ligand, which is the more compliant building block within this framework, constitutes the primary linkages down the b-axis. Notably, intermediate stiffness and hardness (E approximately 52 GPa and H approximately 4.1 GPa) were measured on the (100)-oriented planes. This can be attributed to the Ce-O-Ce chains that zigzag down the a-axis (Ce...Ce metal centers form an angle of approximately 132 degrees) and also the fact that the 9-coordinated CeO(9) polyhedra are expected to be geometrically more compliant. Our results present the first conclusive evidence that the crystal orientation dominated by inorganic chains is not necessarily more robust from the mechanical properties standpoint. Rigid organic bridging ligands (such as oxalate), on the other hand, can be used to produce greater stiffness and hardness properties in a chosen crystallographic orientation. This study demonstrates that

  12. Antimicrobial activity and second harmonic studies on organic non-centrosymmetric pure and doped ninhydrin single crystals

    Science.gov (United States)

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

    2013-03-01

    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.

  13. Solvent-induced controllable synthesis, single-crystal to single-crystal transformation and encapsulation of Alq3 for modulated luminescence in (4,8)-connected metal-organic frameworks.

    Science.gov (United States)

    Lan, Ya-Qian; Jiang, Hai-Long; Li, Shun-Li; Xu, Qiang

    2012-07-16

    In this work, for the first time, we have systematically demonstrated that solvent plays crucial roles in both controllable synthesis of metal-organic frameworks (MOFs) and their structural transformation process. With solvent as the only variable, five new MOFs with different structures have been constructed, in which one MOF undergoes solvent-induced single-crystal to single-crystal (SCSC) transformation that involves not only solvent exchange but also the cleavage and formation of coordination bonds. Particularly, a significant crystallographic change has been realized through an unprecedented three-step SCSC transformation process. Furthermore, we have demonstrated that the obtained MOF could be an excellent host for chromophores such as Alq3 for modulated luminescent properties.

  14. 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. Keywords: Crystal growth, Nonlinear optical materials, UV–visible studies, Z-scan analysis, Dielectric studies

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

    International Nuclear Information System (INIS)

    Sankar, R.; Raghavan, C.M.; Jayavel, R.

    2006-01-01

    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: xjzhang@suda.edu.cn, E-mail: xhzhang@mail.ipc.ac.cn [Functional Nano and Soft Materials Laboratory (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Soochow University, Suzhou 215123 (China)

    2011-07-15

    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. Growth and characterization of an organic single crystal: 2-[2-(4-Diethylamino-phenyl)-vinyl]-1-methyl-pyridinium iodide

    Science.gov (United States)

    Senthil, K.; Kalainathan, S.; Ruban Kumar, A.

    Optically transparent crystal of the organic salt DEASI (2-[2-(4-Diethylamino-phenyl)-vinyl]-1-methyl-pyridinium iodide) has been synthesized by using knoevenagel condensation reaction method. The synthesized material has been purified by successfully recrystallization process. Single crystals of DEASI have been grown by slow evaporation technique at room temperature. The solubility of the title material has been determined at different temperature in acetonitrile/methanol mixture. The cell parameters and crystallinity of the title crystal were determined by single crystal XRD. The powder diffraction was carried out to study the reflection plane of the grown crystal and diffraction peaks were indexed. The presence of different functional groups in the crystal was confirmed by Fourier transform infrared (FTIR) analysis. 1H NMR spectrum was recorded to confirm the presence of hydrogen nuclei in the synthesized material. The optical property of the title crystal was studied by UV-Vis-NIR spectroscopic analysis. The melting point and thermal property of DEASI were studied using TGA/DSC technique. The Vicker’s hardness (Hv) was carried out to know the category. The dielectric constant and dielectric loss of the compound decreases with an increase in frequencies. Chemical etching studies showed that the DEASI grows in the two dimensional growth mechanisms. The Kurtz-Perry powder second harmonic generation (SHG) test has done for title crystal.

  18. Growth and characterization of an organic single crystal: 2-[2-(4-diethylamino-phenyl)-vinyl]-1-methyl-pyridinium iodide.

    Science.gov (United States)

    Senthil, K; Kalainathan, S; Ruban Kumar, A

    2014-05-05

    Optically transparent crystal of the organic salt DEASI (2-[2-(4-Diethylamino-phenyl)-vinyl]-1-methyl-pyridinium iodide) has been synthesized by using knoevenagel condensation reaction method. The synthesized material has been purified by successfully recrystallization process. Single crystals of DEASI have been grown by slow evaporation technique at room temperature. The solubility of the title material has been determined at different temperature in acetonitrile/methanol mixture. The cell parameters and crystallinity of the title crystal were determined by single crystal XRD. The powder diffraction was carried out to study the reflection plane of the grown crystal and diffraction peaks were indexed. The presence of different functional groups in the crystal was confirmed by Fourier transform infrared (FTIR) analysis. (1)H NMR spectrum was recorded to confirm the presence of hydrogen nuclei in the synthesized material. The optical property of the title crystal was studied by UV-Vis-NIR spectroscopic analysis. The melting point and thermal property of DEASI were studied using TGA/DSC technique. The Vicker's hardness (Hv) was carried out to know the category. The dielectric constant and dielectric loss of the compound decreases with an increase in frequencies. Chemical etching studies showed that the DEASI grows in the two dimensional growth mechanisms. The Kurtz-Perry powder second harmonic generation (SHG) test has done for title crystal. Copyright © 2014 Elsevier B.V. All rights reserved.

  19. Electrically Anisotropic Layered Perovskite Single Crystal

    KAUST Repository

    Li, Ting-You

    2016-04-01

    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.

  20. New organic single crystal of (benzylthio)acetic acid: Synthesis, crystal structure, spectroscopic (ATR-FTIR, 1H and 13C NMR) and thermal characterization

    Science.gov (United States)

    Sienkiewicz-Gromiuk, Justyna; Tarasiuk, Bogdan; Mazur, Liliana

    2016-04-01

    (Benzylthio)acetic acid (Hbta) was synthesized with 78% yield from benzyl chloride and thiourea as substrates. Well-shaped crystals of Hbta were grown by slow solvent evaporation technique from pure methanol. The compound was investigated by single-crystal X-ray and powder diffraction techniques and was also characterized by other analytical methods, like ATR-FTIR, 1H and 13C NMR and TG/DSC. The acid molecule adopts bent conformation in the solid state. The crystal structure of Hbta is stabilized by numerous intermolecular interactions, including O-H···O, C-H···O, C-H···S and C-H···π contacts. Thermal decomposition of the obtained material takes place above 150 °C.

  1. Diffraction. Single crystal, magnetic

    International Nuclear Information System (INIS)

    Heger, G.

    1999-01-01

    The analysis of crystal structure and magnetic ordering is usually based on diffraction phenomena caused by the interaction of matter with X-rays, neutrons, or electrons. Complementary information is achieved due to the different character of X-rays, neutrons and electrons, and hence their different interactions with matter and further practical aspects. X-ray diffraction using conventional laboratory equipment and/or synchrotron installations is the most important method for structure analyses. The purpose of this paper is to discuss special cases, for which, in addition to this indispensable part, neutrons are required to solve structural problems. Even though the huge intensity of modern synchrotron sources allows in principle the study of magnetic X-ray scattering the investigation of magnetic structures is still one of the most important applications of neutron diffraction. (K.A.)

  2. 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.

    Science.gov (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

    2014-06-16

    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+).

  3. Single Crystal Surfaces

    Science.gov (United States)

    Aguilar-Santillan, Joaquin

    2014-06-01

    The present work studies (0001) Al2O3 and (111) Al2MgO4 wetting with pure molten Al by the sessile drop technique from 1073 K to 1473 K (800 °C to 1200 °C) under Ar at PO2 10-15 Pa. Al pure liquid wets a smooth and chemically homogeneous surface of an inert solid, the wetting driving force ( t, T) can be readily studied when surface solid roughness increases in the system. Both crystals planes (0001) Al2O3 and (111) Al2MgO4 have crystallographic surfaces with identical O-2 crystalline positions however considering Mg2+ content in Al2MgO4 structure may influence a reactive mode. Kinetic models results under similar experimental conditions show that Al wetting on (0001) Al2O3 is less reactive than (111) Al2MgO4, however at >1273 K (1000 °C) (0001) Al2O3 transformation occurs and a transition of wetting improves. The (111) Al2MgO4 and Al system promotes interface formations that slow its wetting process.

  4. Inkjet printing of single-crystal films.

    Science.gov (United States)

    Minemawari, Hiromi; Yamada, Toshikazu; Matsui, Hiroyuki; Tsutsumi, Jun'ya; Haas, Simon; Chiba, Ryosuke; Kumai, Reiji; Hasegawa, Tatsuo

    2011-07-13

    The use of single crystals has been fundamental to the development of semiconductor microelectronics and solid-state science. Whether based on inorganic or organic materials, the devices that show the highest performance rely on single-crystal interfaces, with their nearly perfect translational symmetry and exceptionally high chemical purity. Attention has recently been focused on developing simple ways of producing electronic devices by means of printing technologies. 'Printed electronics' is being explored for the manufacture of large-area and flexible electronic devices by the patterned application of functional inks containing soluble or dispersed semiconducting materials. However, because of the strong self-organizing tendency of the deposited materials, the production of semiconducting thin films of high crystallinity (indispensable for realizing high carrier mobility) may be incompatible with conventional printing processes. Here we develop a method that combines the technique of antisolvent crystallization with inkjet printing to produce organic semiconducting thin films of high crystallinity. Specifically, we show that mixing fine droplets of an antisolvent and a solution of an active semiconducting component within a confined area on an amorphous substrate can trigger the controlled formation of exceptionally uniform single-crystal or polycrystalline thin films that grow at the liquid-air interfaces. Using this approach, we have printed single crystals of the organic semiconductor 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C(8)-BTBT) (ref. 15), yielding thin-film transistors with average carrier mobilities as high as 16.4 cm(2) V(-1) s(-1). This printing technique constitutes a major step towards the use of high-performance single-crystal semiconductor devices for large-area and flexible electronics applications.

  5. Fluorination of Metal Phthalocyanines: Single-Crystal Growth, Efficient N-Channel Organic Field-Effect Transistors, and Structure-Property Relationships

    Science.gov (United States)

    Jiang, Hui; Ye, Jun; Hu, Peng; Wei, Fengxia; Du, Kezhao; Wang, Ning; Ba, Te; Feng, Shuanglong; Kloc, Christian

    2014-01-01

    The fluorination of p-type metal phthalocyanines produces n-type semiconductors, allowing the design of organic electronic circuits that contain inexpensive heterojunctions made from chemically and thermally stable p- and n-type organic semiconductors. For the evaluation of close to intrinsic transport properties, high-quality centimeter-sized single crystals of F16CuPc, F16CoPc and F16ZnPc have been grown. New crystal structures of F16CuPc, F16CoPc and F16ZnPc have been determined. Organic single-crystal field-effect transistors have been fabricated to study the effects of the central metal atom on their charge transport properties. The F16ZnPc has the highest electron mobility (~1.1 cm2 V−1 s−1). Theoretical calculations indicate that the crystal structure and electronic structure of the central metal atom determine the transport properties of fluorinated metal phthalocyanines. PMID:25524460

  6. Crystal ball single event display

    International Nuclear Information System (INIS)

    Grosnick, D.; Gibson, A.; Allgower, C.; Alyea, J.; Argonne National Lab., IL

    1997-01-01

    The Single Event Display (SED) is a routine that is designed to provide information graphically about a triggered event within the Crystal Ball. The SED is written entirely in FORTRAN and uses the CERN-based HICZ graphing package. The primary display shows the amount of energy deposited in each of the NaI crystals on a Mercator-like projection of the crystals. Ten different shades and colors correspond to varying amounts of energy deposited within a crystal. Information about energy clusters is displayed on the crystal map by outlining in red the thirteen (or twelve) crystals contained within a cluster and assigning each cluster a number. Additional information about energy clusters is provided in a series of boxes containing useful data about the energy distribution among the crystals within the cluster. Other information shown on the event display include the event trigger type and data about π o 's and η's formed from pairs of clusters as found by the analyzer. A description of the major features is given, along with some information on how to install the SED into the analyzer

  7. Reversible conversion of valence-tautomeric copper metal-organic frameworks dependent single-crystal-to-single-crystal oxidation/reduction: a redox-switchable catalyst for C-H bonds activation reaction.

    Science.gov (United States)

    Huang, Chao; Wu, Jie; Song, Chuanjun; Ding, Ran; Qiao, Yan; Hou, Hongwei; Chang, Junbiao; Fan, Yaoting

    2015-06-28

    Upon single-crystal-to-single-crystal (SCSC) oxidation/reduction, reversible structural transformations take place between the anionic porous zeolite-like Cu(I) framework and a topologically equivalent neutral Cu(I)Cu(II) mixed-valent framework. The unique conversion behavior of the Cu(I) framework endowed it as a redox-switchable catalyst for the direct arylation of heterocycle C-H bonds.

  8. Effect of electrode design on crosstalk between neighboring organic field-effect transistors based on one single crystal

    Science.gov (United States)

    Li, Mengjie; Tang, Qingxin; Tong, Yanhong; Zhao, Xiaoli; Zhou, Shujun; Liu, Yichun

    2018-03-01

    The design of high-integration organic circuits must be such that the interference between neighboring devices is eliminated. Here, rubrene crystals were used to study the effect of the electrode design on crosstalk between neighboring organic field-effect transistors (OFETs). Results show that a decreased source/drain interval and gate electrode width can decrease the diffraction distance of the current, and therefore can weaken the crosstalk. In addition, the inherent low carrier concentration in organic semiconductors can create a high-resistance barrier at the space between gate electrodes of neighboring devices, limiting or even eliminating the crosstalk as a result of the gate electrode width being smaller than the source/drain electrode width.

  9. Growth, spectral and optical characterization of a novel nonlinear optical organic material: D-Alanine DL-Mandelic acid single crystal

    Science.gov (United States)

    Jayaprakash, P.; Mohamed, M. Peer; Caroline, M. Lydia

    2017-04-01

    An organic nonlinear optical single crystal, D-alanine DL-mandelic acid was synthesized and successfully grown by slow evaporation solution growth technique at ambient temperature using solvent of aqueous solution. The unit cell parameters were assessed from single crystal X-ray diffraction analysis. The presence of diverse functional groups and vibrational modes were identified using Fourier Transform Infra Red and Fourier Transform Raman spectral analyses. The chemical structure of grown crystal has been identified by Nuclear Magnetic Resonance spectroscopic study. Ultraviolet-visible spectral analysis reveal that the crystal has lower cut-off wavelength down to 259 nm, is a key factor to exhibit second harmonic generation signal. The electronic optical band gap and Urbach energy is calculated as 5.31 eV and 0.2425 eV respectively from the UV absorption profile. The diverse optical properties such as, extinction coefficient, reflectance, linear refractive index, optical conductivity was calculated using UV-visible data. The relative second harmonic efficiency of the compound is found to be 0.81 times greater than that of KH2PO4 (KDP). The thermal stability of the grown crystal was studied by thermogravimetric analysis and differential thermal analysis techniques. The luminescence spectrum exhibited two peaks (520 nm, 564 nm) due to the donation of protons from carboxylic acid to amino group. The Vickers microhardness test was carried out employing one of the as-grown hard crystal and there by hardness number (Hv), Meyer's index (n), yield strength (σy), elastic stiffness constant (C11) and Knoop hardness number (HK) were assessed. The dielectric behaviour of the as-grown crystal was analyzed for different temperatures (313 K, 333 K, 353 K, and 373 K) at different frequencies.

  10. Twisted intramolecular charge transfer investigation of semi organic L-Glutamic acid hydrochloride single crystal for organic light-emitting and optical limiting applications

    Science.gov (United States)

    Joy, Lija K.; George, Merin; Alex, Javeesh; Aravind, Arun; Sajan, D.; Vinitha, G.

    2018-03-01

    Single crystals of L-Glutamic acid hydrochloride (LGHCl) were grown by slow evaporation solution technique and good crystalline perfection was confirmed by Powder X-ray diffraction studies. The complete vibrational studies of the compound were analyzed by FT-IR, FT-Raman and UV-visible spectra combined with Normal Coordinate Analysis (NCA) following the scaled quantum mechanical force field methodology and density functional theory (DFT). Twisted Intramolecular Charge Transfer (ICT) occurs due to the presence of strong ionic intra-molecular Nsbnd H⋯O hydrogen bonding was confirmed by Hirshfeld Surface analysis. The existence of intermolecular Nsbnd H⋯Cl hydrogen bonds due to the interaction between the lone pair of oxygen with the antibonding orbital was established by NBO analysis. The Z-scan result indicated that the title molecule exhibits saturable absorption behavior. The attractive third-order nonlinear properties suggest that LGHCl can be a promising candidate for the design and development devices for optical limiting applications. LGHCL exhibits distinct emission in the blue region of the fluorescence lifetime which proves to be a potential candidate for blue- Organic light-emitting diodes (OLEDs) fabrication.

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

    KAUST Repository

    Dacuña, Javier

    2012-09-06

    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.

  12. Patterning of Perovskite Single Crystals

    KAUST Repository

    Corzo, Daniel

    2017-06-12

    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

  13. Strain engineering and one-dimensional organization of metal-insulator domains in single-crystal vanadium dioxide beams.

    Science.gov (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

    2009-11-01

    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.

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

    Science.gov (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

    2017-06-01

    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, CH 4 , N 2 , O 2 , Ar, and P 4 adsorption in Co 2 (dobdc) (dobdc 4- = 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-CH 4 and Co-Ar interactions observed in Co 2 (dobdc) represent, to the best of our knowledge, the first single-crystal structure determination of a metal-CH 4 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 Co 2 (dobdc), with differential enthalpies of adsorption as weak as -17(1) kJ mol -1 (for Ar). Moreover, the structures of Co 2 (dobdc)·3.8N 2 , Co 2 (dobdc)·5.9O 2 , and Co 2 (dobdc)·2.0Ar reveal the location of secondary (N 2 , O 2 , and Ar) and tertiary (O 2 ) binding sites in Co 2 (dobdc), while high-pressure CO 2 , CO, CH 4 , N 2 , and Ar adsorption isotherms show that these binding sites become more relevant at elevated pressures.

  15. Preparation of TiC single crystals

    International Nuclear Information System (INIS)

    Scheerer, B.; Fink, J.; Reichardt, W.

    1975-07-01

    TiC single crystals were prepared by vertical zone melting for measurements of the phonon dispersion by inelastic neutron scattering. The influence of the starting material and of the growing conditions on the growth of the crystal were studied. The crystals were characterized by chemical methods, EMX and neutron diffraction. It was possible to grow single crystals with a volume of up to 0.6 cm 3 and mosaic spread of less then 0.4 0 . (orig.) [de

  16. How far could energy transport within a single crystal

    Science.gov (United States)

    Zhang, Yifan; Che, Yanke; Zhao, Jincai; Steve, Granick

    Efficient transport of excitation energy over long distance is a vital process in light-harvesting systems and molecular electronics. The energy transfer distance is largely restricted by the probability decay of the exciton when hopping within a single crystal. Here, we fabricated an organic single crystal within which the energy could transfer more than 100 μm, a distance only limited by its crystal size. Our system could be regarded as a ``Sprint relay game'' performing on different surface of tracks. Photoinduced ``athletes'' (excitons) triggered intermolecular ``domino'' reaction to propagate energy for a long distance. In addition, athletes with the same ability runs much farther on smooth ideal track (single crystal assembled from merely van der Waals interaction) than bumpy mud track (crystal assembled from combination of pi-stacking, hydrogen bond and van der Waals interactions). Our finding presents new physics on enhancing energy transfer length within a single crystal. Current Affiliation: Institute for Basic Science, South Korea.

  17. Single Crystal Diffuse Neutron Scattering

    Directory of Open Access Journals (Sweden)

    Richard Welberry

    2018-01-01

    Full Text Available Diffuse neutron scattering has become a valuable tool for investigating local structure in materials ranging from organic molecular crystals containing only light atoms to piezo-ceramics that frequently contain heavy elements. Although neutron sources will never be able to compete with X-rays in terms of the available flux the special properties of neutrons, viz. the ability to explore inelastic scattering events, the fact that scattering lengths do not vary systematically with atomic number and their ability to scatter from magnetic moments, provides strong motivation for developing neutron diffuse scattering methods. In this paper, we compare three different instruments that have been used by us to collect neutron diffuse scattering data. Two of these are on a spallation source and one on a reactor source.

  18. Charge transport in organic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Ortmann, Frank

    2009-07-01

    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.)

  19. Principles of crystallization, and methods of single crystal growth

    International Nuclear Information System (INIS)

    Chacra, T.

    2010-01-01

    Most of single crystals (monocrystals), have distinguished optical, electrical, or magnetic properties, which make from single crystals, key elements in most of technical modern devices, as they may be used as lenses, Prisms, or grating sin optical devises, or Filters in X-Ray and spectrographic devices, or conductors and semiconductors in electronic, and computer industries. Furthermore, Single crystals are used in transducer devices. Moreover, they are indispensable elements in Laser and Maser emission technology.Crystal Growth Technology (CGT), has started, and developed in the international Universities and scientific institutions, aiming at some of single crystals, which may have significant properties and industrial applications, that can attract the attention of international crystal growth centers, to adopt the industrial production and marketing of such crystals. Unfortunately, Arab universities generally, and Syrian universities specifically, do not give even the minimum interest, to this field of Science.The purpose of this work is to attract the attention of Crystallographers, Physicists and Chemists in the Arab universities and research centers to the importance of crystal growth, and to work on, in the first stage to establish simple, uncomplicated laboratories for the growth of single crystal. Such laboratories can be supplied with equipment, which are partly available or can be manufactured in the local market. Many references (Articles, Papers, Diagrams, etc..) has been studied, to conclude the most important theoretical principles of Phase transitions,especially of crystallization. The conclusions of this study, are summarized in three Principles; Thermodynamic-, Morphologic-, and Kinetic-Principles. The study is completed by a brief description of the main single crystal growth methods with sketches, of equipment used in each method, which can be considered as primary designs for the equipment, of a new crystal growth laboratory. (author)

  20. Scaling submillimeter single-cycle transients toward megavolts per centimeter field strength via optical rectification in the organic crystal OH1.

    Science.gov (United States)

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

    2012-03-01

    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

  1. Electrically Anisotropic Layered Perovskite Single Crystal

    KAUST Repository

    Li, Ting-You

    2016-01-01

    -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

  2. Confinement stabilises single crystal vaterite rods.

    OpenAIRE

    Schenk, AS; Albarracin, EJ; Kim, YY; Ihli, J; Meldrum, FC

    2014-01-01

    Single-crystals of vaterite, the least-stable anhydrous polymorph of CaCO3, are rare in biogenic and synthetic systems. We here describe the synthesis of high aspect ratio single crystal vaterite rods under additive-free conditions by precipitating CaCO3 within the cylindrical pores of track-etch membranes.

  3. Metal Halide Perovskite Single Crystals: From Growth Process to Application

    Directory of Open Access Journals (Sweden)

    Shuigen Li

    2018-05-01

    Full Text Available As a strong competitor in the field of optoelectronic applications, organic-inorganic metal hybrid perovskites have been paid much attention because of their superior characteristics, which include broad absorption from visible to near-infrared region, tunable optical and electronic properties, high charge mobility, long exciton diffusion length and carrier recombination lifetime, etc. It is noted that perovskite single crystals show remarkably low trap-state densities and long carrier diffusion lengths, which are even comparable with the best photovoltaic-quality silicon, and thus are expected to provide better optoelectronic performance. This paper reviews the recent development of crystal growth in single-, mixed-organic-cation and fully inorganic halide perovskite single crystals, in particular the solution approach. Furthermore, the application of metal hybrid perovskite single crystals and future perspectives are also highlighted.

  4. Growth of emerald single crystals

    International Nuclear Information System (INIS)

    Bukin, G.V.; Godovikov, A.A.; Klyakin, V.A.; Sobolev, V.S.

    1986-01-01

    In addition to its use for jewelry, emerald can also be used in low-noise microwave amplifiers. The authors discuss flux crystallization of emerald and note that when emerald is grown by this method, it is desirable to use solvents which dissolve emerald with minimum deviations from congruence but at the same time with sufficient high efficiency. Emerald synthesis and crystal growth from slowly cooled solutions is discussed as another possibility. The techniques are examined. Vapor synthesis and growht of beryl crystals re reviewed and the authors experimentally study the seeded CVD crystallization of beryl from BeO, Al 2 O 3 and SiO 2 oxides, by using complex compounds as carrier agents. The color of crystals of emerald and other varieties of beryl is detemined by slelective light absorption in teh visible part of the spectrum and depends on the density and structural positions of chromphore ions: chromium, iron, vanadium, nickel, manganese and cobalt

  5. Crystal structure and magnetic susceptibility of UOSe single crystals

    International Nuclear Information System (INIS)

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

    1993-01-01

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

  6. Crystal structure and magnetic susceptibility of UOSe single crystals

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-01-01

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

  7. Electron damage in organic crystals

    International Nuclear Information System (INIS)

    Howitt, D.G.; Thomas, G.

    1977-01-01

    The effects of radiation damage in three crystalline organic materials (l-valine, cytosine, copper phthalocyanine) have been investigated by electron microscopy. The degradation of these materials has been found to be consistent with a gradual collapse of their crystal structures brought about by ionization damage to the comprising molecules. It is inferred that the crystallinity of these materials is destroyed by ionizing radiation because the damaged molecules cannot be incorporated into the framework of their original structures. (author)

  8. Synthesis, characterization and anti-microbial activity of pure, Cu2+ and Cd2+ doped organic NLO l-arginine trifluoroacetate single crystals

    Science.gov (United States)

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

    2013-10-01

    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.

  9. Synthesis, characterization and anti-microbial activity of pure, Cu2+ and Cd2+ doped organic NLO l-arginine trifluoroacetate single crystals

    International Nuclear Information System (INIS)

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

    2013-01-01

    Optically transparent Cu 2+ and Cd 2+ 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 Cu 2+ and Cd 2+ . 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 Cu 2+ doped LATF is 2.8 times greater and Cd 2+ 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. (paper)

  10. Relaxor-PT Single Crystal Piezoelectric Sensors

    Directory of Open Access Journals (Sweden)

    Xiaoning Jiang

    2014-07-01

    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.

  11. Defect free single crystal thin layer

    KAUST Repository

    Elafandy, Rami Tarek Mahmoud

    2016-01-28

    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.

  12. Defect free single crystal thin layer

    KAUST Repository

    Elafandy, Rami Tarek Mahmoud; Ooi, Boon S.

    2016-01-01

    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.

  13. First example of a reversible single-crystal-to-single-crystal polymerization-depolymerization accompanied by a magnetic anomaly for a transition-metal complex with an organic radical.

    Science.gov (United States)

    Ovcharenko, Victor I; Fokin, Sergey V; Kostina, Elvina T; Romanenko, Galina V; Bogomyakov, Artem S; Tretyakov, Eugene V

    2012-11-19

    The reaction of copper(II) hexafluoroacetylacetonate [Cu(hfac)2] with the stable nitronyl nitroxide 2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl (L(a)) resulted in a paired heterospin complex [[Cu(hfac)2]3(μ-O,N-L(a))2][Cu(hfac)2(O-L(a))2]. The crystals of the compound were found to be capable of a reversible single-crystal-to-single-crystal (SC-SC) transformation initiated by the variation of temperature. At room temperature, the molecular structure of [[Cu(hfac)2]3(μ-O,N-L(a))2][Cu(hfac)2(O-L(a))2] is formed by the alternating fragments of the pair complex. Cooling the crystals of the complex below 225 K caused considerable mutual displacements of adjacent molecules, which ended in a transformation of the molecular structure into a polymer chain structure. A reversible topotactic polymerization-depolymerization coordination reaction actually takes place in the solid during repeated cooling-heating cycles: [[Cu(hfac)2]3(μ-O,N-L(a))2][Cu(hfac)2(O-L(a))2] ⇌ Cu(hfac)2(μ-O,N-L(a))]∞. Polymerization during cooling is the result of the anomalously great shortening of intermolecular distances (from 4.403 Å at 295 K to 2.460 Å at 150 K; Δd = 1.943 Å) between the terminal Cu atoms of the trinuclear fragments {[[Cu(hfac)2]3(μ-O,N-L(a))2]} and the noncoordinated N atoms of the pyrazole rings of the mononuclear {[Cu(hfac)2(O-L(a))2]} fragments. When the low-temperature phase was heated above 270 K, the polymer chain structure was destroyed and the compound was again converted to the pair molecular complex. The specifics of the given SC-SC transformation lies in the fact that the process is accompanied by a magnetic anomaly, because the intracrystalline displacements of molecules lead to a considerable change in the mutual orientation of the paramagnetic centers, which, in turn, causes modulation of the exchange interaction between the odd electrons of the Cu(2+) ion and nitroxide. On the temperature curve of

  14. 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: lydiacaroline2006@yahoo.co.in [PG & Research Department of Physics, Arignar Anna Govt. Arts College, Cheyyar 604 407, Tamil Nadu (India)

    2016-12-15

    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.

  15. Photonic crystal geometry for organic solar cells.

    Science.gov (United States)

    Ko, Doo-Hyun; Tumbleston, John R; Zhang, Lei; Williams, Stuart; DeSimone, Joseph M; Lopez, Rene; Samulski, Edward T

    2009-07-01

    We report organic solar cells with a photonic crystal nanostructure embossed in the photoactive bulk heterojunction layer, a topography that exhibits a 3-fold enhancement of the absorption in specific regions of the solar spectrum in part through multiple excitation resonances. The photonic crystal geometry is fabricated using a materials-agnostic process called PRINT wherein highly ordered arrays of nanoscale features are readily made in a single processing step over wide areas (approximately 4 cm(2)) that is scalable. We show efficiency improvements of approximately 70% that result not only from greater absorption, but also from electrical enhancements. The methodology is generally applicable to organic solar cells and the experimental findings reported in our manuscript corroborate theoretical expectations.

  16. Single Crystals Grown Under Unconstrained Conditions

    Science.gov (United States)

    Sunagawa, Ichiro

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

  17. Growth, structural, optical, thermal and laser damage threshold studies of an organic single crystal: 1,3,5 – triphenylbenzene (TPB)

    International Nuclear Information System (INIS)

    Raja, R. Subramaniyan; Babu, G. Anandha; Ramasamy, P.

    2016-01-01

    Good quality single crystals of pure hydrocarbon 1,3,5-Triphenylbenzene (TPB) have been successfully grown using toluene as a solvent using controlled slow cooling solution growth technique. TPB crystallizes in orthorhombic structure with the space group Pna2 1 . The structural perfection of the grown crystal has been analysed by high resolution X-ray diffraction measurements. The range and percentage of the optical transmission are ascertained by recording the UV-vis spectrum. Thermo gravimetric analysis (TGA) and differential thermal analysis (DTA) were used to study its thermal properties. Powder second harmonic generation studies were carried out to explore its NLO properties. Laser damage threshold value has been determined using Nd:YAG laser operating at 1064 nm.

  18. Crystal plasticity study of single crystal tungsten by indentation tests

    International Nuclear Information System (INIS)

    Yao, Weizhi

    2012-01-01

    Owing to its favorable material properties, tungsten (W) has been studied as a plasma-facing material in fusion reactors. Experiments on W heating in plasma sources and electron beam facilities have shown an intense micro-crack formation at the heated surface and sub-surface. The cracks go deep inside the irradiated sample, and often large distorted areas caused by local plastic deformation are present around the cracks. To interpret the crack-induced microscopic damage evolution process in W, one needs firstly to understand its plasticity on a single grain level, which is referred to as crystal plasticity. In this thesis, the crystal plasticity of single crystal tungsten (SCW) has been studied by spherical and Berkovich indentation tests and the finite element method with a crystal plasticity model. Appropriate values of the material parameters included in the crystal plasticity model are determined by fitting measured load-displacement curves and pile-up profiles with simulated counterparts for spherical indentation. The numerical simulations reveal excellent agreement with experiment. While the load-displacement curves and the deduced indentation hardness exhibit little sensitivity to the indented plane at small indentation depths, the orientation of slip directions within the crystals governs the development of deformation hillocks at the surface. It is found that several factors like friction, indentation depth, active slip systems, misoriented crystal orientation, misoriented sample surface and azimuthal orientation of the indenter can affect the indentation behavior of SCW. The Berkovich indentation test was also used to study the crystal plasticity of SCW after deuterium irradiation. The critical load (pop-in load) for triggering plastic deformation under the indenter is found to depend on the crystallographic orientation. The pop-in loads decrease dramatically after deuterium plasma irradiation for all three investigated crystallographic planes.

  19. Bloch walls in a nickel single crystal

    International Nuclear Information System (INIS)

    Peters, J.; Treimer, W.

    2001-01-01

    We present a consistent theory for the dependence of the magnetic structure in bulk samples on external static magnetic fields and corresponding experimental results. We applied the theory of micromagnetism to this crystal and calculated the Bloch wall thickness as a function of external magnetic fields. The theoretical results agree well with the experimental data, so that the Bloch wall thickness of a 71 deg. nickel single crystal was definitely determined with some hundred of nanometer

  20. Low-Temperature Band Transport and Impact of Contact Resistance in Organic Field-Effect Transistors Based on Single-Crystal Films of Ph-BTBT-C10

    Science.gov (United States)

    Cho, Joung-min; Mori, Takehiko

    2016-06-01

    Transistors based on single-crystal films of 2-decyl-7-phenyl-[1]benzothieno[3,2-b][1]benzothiophene (Ph-BTBT-10) fabricated using the blade-coating method are investigated by the four-probe method down to low temperatures. The four-probe mobility is as large as 18 cm2/V s at room temperature, and increases to 45 cm2/V s at 80 K. At 60 K the two-probe mobility drops abruptly by about 50%, but the mobility drop is mostly attributed to the increase of the source resistance. The carrier transport in the present single-crystal film is regarded as essentially bandlike down to 30 K.

  1. 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

    2014-03-01

    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

  2. Friction stir welding of single crystal aluminium

    DEFF Research Database (Denmark)

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

    2007-01-01

    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...

  3. 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.

    2017-09-05

    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.

  4. Crystal growth and characterization of new semiorganic nonlinear optical single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Kulshrestha, Shobha, E-mail: shobha011986@gmail.com; Shrivastava, A. K., E-mail: ashwaniaks@rediffmail.com [School of Studies in Physics, Jiwaji University Gwalior (M.P.) – 474 011 (India)

    2016-05-06

    An organic material of a L-histidine monohydrochloride single crystal was grown in a distilled water solution using the slow evaporation method at 40–45°C. The grown crystal was transparent and colourless, with a size of about 20 × 9 × 5 mm{sup 3}, obtained within a period of 21 days. The solubility of grown crystals have found out at various temperatures. The UV-visible transmittance studies show that the grown crystals have wide optical transparency in the entire visible region It is observed that the crystal has transparency window from 255nm to 700nm and its energy gap (Eg) found to be is 3.1eV. The grown crystal was subjected to powder X-ray diffraction analysis, confirming that the orthorhombic crystalline nature of the crystal. To identify the surface morphology, the as grown crystal was subjected to FE-SEM technique. The chemical composition of the grown crystal was estimated by Energy dispersive X-ray analysis. The optical behaviour of the grown crystal was analyzed by PL study.

  5. Lattice effects in YVO3 single crystal

    NARCIS (Netherlands)

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

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

  6. Antiferromagnetism in chromium alloy single crystals

    DEFF Research Database (Denmark)

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

    1965-01-01

    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...

  7. Neutron forward diffraction by single crystal prisms

    Indian Academy of Sciences (India)

    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 sensitivity to ...

  8. Properties of single crystal beta''-aluminas

    International Nuclear Information System (INIS)

    Bates, J.B.; Brown, G.M.; Kaneda, T.; Brundage, W.E.; Wang, J.C.; Engstrom, H.

    1979-01-01

    Large single crystals of sodium beta''-alumina were grown by slow evaporation of Na 2 O at 1690 0 C from a mixture of Na 2 CO 3 , MgO, and Al 2 O 3 . Polarized Raman measurements were made on the Na β'' single crystals and on single crystals of Li, K, Rb, and Ag β'' prepared by ion exchange of Na β''. The low frequency Raman spectra of Na, K, Rb, and Ag β'' contained four or more bands due to vibrations of the mobile cations. These results were analyzed by assuming the spectra to be due to the normal modes of a defect cluster consisting of a cation vacancy surrounded by three cations. From model calculations, the Raman band of Na β'' at 33 cm -1 is assigned to the attempt mode for diffusion of Na + ions. The structure of a Ag β'' single crystal was investigated by neutron diffraction, and 20% of the Ag + ion sites were found to be vacant

  9. Method for manufacturing a single crystal nanowire

    NARCIS (Netherlands)

    van den Berg, Albert; Bomer, Johan G.; Carlen, Edwin; Chen, S.; Kraaijenhagen, Roderik Adriaan; Pinedo, Herbert Michael

    2013-01-01

    A method for manufacturing a single crystal nano-structure is provided comprising the steps of providing a device layer with a 100 structure on a substrate; providing a stress layer onto the device layer; patterning the stress layer along the 110 direction of the device layer; selectively removing

  10. Method for manufacturing a single crystal nanowire

    NARCIS (Netherlands)

    van den Berg, Albert; Bomer, Johan G.; Carlen, Edwin; Chen, S.; Kraaijenhagen, R.A.; Pinedo, Herbert Michael

    2010-01-01

    A method for manufacturing a single crystal nano-structure is provided comprising the steps of providing a device layer with a 100 structure on a substrate; providing a stress layer onto the device layer; patterning the stress layer along the 110 direction of the device layer; selectively removing

  11. Interface Engineering for Organic Electronics; Manufacturing of Hybrid Inorganic-Organic Molecular Crystal Devices

    NARCIS (Netherlands)

    de Veen, P.J.

    2011-01-01

    Organic semiconductors are at the basis of Organic Electronics. Objective of this dissertation is “to fabricate high-quality organic molecular single-crystal devices”, to explore the intrinsic properties of organic semiconductors. To achieve this, the in situ fabrication of complete field-effect

  12. Radiation effects in corundum single crystals

    International Nuclear Information System (INIS)

    Gevorkyan, V.A.; Harutunyan, V.V.; Hakhverdyan, E.A.

    2005-01-01

    On the basis of new experimental results and analysis of publications it is shown that in the lattice of corundum crystals the high-energy particles create stable structural defects due to knocking out of atoms from normal sites of the anionic sublattice; this leads to the formation of F and F '+ centers as well as to other complex [Al i '+ F] type color centers. The essence of 'radiation memory' effect in corundum single crystals is that the high-energy particles irradiation, annealing at high temperatures and additional irradiation by X-rays result in the restoration of some spectral bands of the optical absorption in the range 200-650 nm

  13. Single Crystal Filters for Neutron Spectrometry

    International Nuclear Information System (INIS)

    Habib, N.

    2008-01-01

    A study of neutron transmission properties trough a large single crystals specimens of Si, Ge, Pb, Bi and sapphire at 300 K and 80 K have been made for a wide range of neutron energies. The effectiveness of such filters is given by the ratio of the total cross-section of unwanted epithermal neutrons to that the desired thermal neutron beam and by the optimum choice of the crystal orientation, its mosaic spread, thickness and temperature.Our study indicates that sapphire is significantly more effective than the others for a wide range of neutron energies

  14. Irradiation creep in zirconium single crystals

    International Nuclear Information System (INIS)

    MacEwen, S.R.; Fidleris, V.

    1976-07-01

    Two identical single crystals of crystal bar zirconium have been creep tested in reactor. Both specimens were preirradiated at low stress to a dose of about 4 x 10 23 n/m 2 (E > 1 MeV), and were then loaded to 25 MPa. The first specimen was loaded with reactor at full power, the second during a shutdown. The loading strain for both crystals was more than an order of magnitude smaller than that observed when an identical unirradiated crystal was loaded to the same stress. Both crystals exhibited periods of primary creep, after which their creep rates reached nearly constant values when the reactor was at power. During shutdowns the creep rates decreased rapidly with time. Electron microscopy revealed that the irradiation damage consisted of prismatic dislocation loops, approximately 13.5 nm in diameter. Cleared channels, identified as lying on (1010) planes, were also observed. The results are discussed in terms of the current theories for flux enhanced creep in the light of the microstructures observed. (author)

  15. Disappearing Enantiomorphs: Single Handedness in Racemate Crystals.

    Science.gov (United States)

    Parschau, Manfred; Ernst, Karl-Heinz

    2015-11-23

    Although crystallization is the most important method for the separation of enantiomers of chiral molecules in the chemical industry, the chiral recognition involved in this process is poorly understood at the molecular level. We report on the initial steps in the formation of layered racemate crystals from a racemic mixture, as observed by STM at submolecular resolution. Grown on a copper single-crystal surface, the chiral hydrocarbon heptahelicene formed chiral racemic lattice structures within the first layer. In the second layer, enantiomerically pure domains were observed, underneath which the first layer contained exclusively the other enantiomer. Hence, the system changed from a 2D racemate into a 3D racemate with enantiomerically pure layers after exceeding monolayer-saturation coverage. A chiral bias in form of a small enantiomeric excess suppressed the crystallization of one double-layer enantiomorph so that the pure minor enantiomer crystallized only in the second layer. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Isotopically pure single crystal epitaxial diamond films and their preparation

    International Nuclear Information System (INIS)

    Banholzer, W.F.; Anthony, T.R.; Williams, D.M.

    1992-01-01

    The present invention is directed to the production of single crystal diamond consisting of isotopically pure carbon-12 or carbon-13. In the present invention, isotopically pure single crystal diamond is grown on a single crystal substrate directly from isotopically pure carbon-12 or carbon-13. One method for forming isotopically pure single crystal diamond comprises the steps of placing in a reaction chamber a single substrate heated to an elevated diamond forming temperature. Another method for forming isotopically pure single crystal diamond comprises diffusing isotopically pure carbon-12 or carbon-13 through a metallic catalyst under high pressure to a region containing a single crystal substrate to form an isotopically pure single crystal diamond layer on said single crystal substrate

  17. Single-Crystal Diamond Nanobeam Waveguide Optomechanics

    Science.gov (United States)

    Khanaliloo, Behzad; Jayakumar, Harishankar; Hryciw, Aaron C.; Lake, David P.; Kaviani, Hamidreza; Barclay, Paul E.

    2015-10-01

    Single-crystal diamond optomechanical devices have the potential to enable fundamental studies and technologies coupling mechanical vibrations to both light and electronic quantum systems. Here, we demonstrate a single-crystal diamond optomechanical system and show that it allows excitation of diamond mechanical resonances into self-oscillations with amplitude >200 nm . The resulting internal stress field is predicted to allow driving of electron spin transitions of diamond nitrogen-vacancy centers. The mechanical resonances have a quality factor >7 ×105 and can be tuned via nonlinear frequency renormalization, while the optomechanical interface has a 150 nm bandwidth and 9.5 fm /√{Hz } sensitivity. In combination, these features make this system a promising platform for interfacing light, nanomechanics, and electron spins.

  18. Single-Crystal Diamond Nanobeam Waveguide Optomechanics

    Directory of Open Access Journals (Sweden)

    Behzad Khanaliloo

    2015-12-01

    Full Text Available Single-crystal diamond optomechanical devices have the potential to enable fundamental studies and technologies coupling mechanical vibrations to both light and electronic quantum systems. Here, we demonstrate a single-crystal diamond optomechanical system and show that it allows excitation of diamond mechanical resonances into self-oscillations with amplitude >200  nm. The resulting internal stress field is predicted to allow driving of electron spin transitions of diamond nitrogen-vacancy centers. The mechanical resonances have a quality factor >7×10^{5} and can be tuned via nonlinear frequency renormalization, while the optomechanical interface has a 150 nm bandwidth and 9.5  fm/sqrt[Hz] sensitivity. In combination, these features make this system a promising platform for interfacing light, nanomechanics, and electron spins.

  19. 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)

    2015-06-24

    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.

  20. Single crystal spectrometer FOX at KENS

    International Nuclear Information System (INIS)

    Takahashi, M.

    2001-01-01

    Single crystal spectrometer FOX installed at H1 thermal neutron line on KENS has been renewed recently for the measurement of very weak scattering. We have installed a multidetector system of 36 linearly placed 3 He detectors with collimators instead of former four-circle diffractometer and scintillator detectors. Though the system is quite simple, a large two-dimensional reciprocal space is observed effectively with high S/N rate on new FOX. (author)

  1. Liquid crystals for organic transistors (Conference Presentation)

    Science.gov (United States)

    Hanna, Jun-ichi; Iino, Hiroaki

    2016-09-01

    Liquid crystals are a new type of organic semiconductors exhibiting molecular orientation in self-organizing manner, and have high potential for device applications. In fact, various device applications have been proposed so far, including photosensors, solar cells, light emitting diodes, field effect transistors, and so on.. However, device performance in those fabricated with liquid crystals is less than those of devices fabricated with conventional materials in spite of unique features of liquid crystals. Here we discuss how we can utilize the liquid crystallinity in organic transistors and how we can overcome conventional non-liquid crystalline organic transistor materials. Then, we demonstrate high performance organic transistors fabricated with a smectic E liquid crystal of Ph-BTBT-10, which show high mobility of over 10cm2/Vs and high thermal durability of over 200oC in OFETs fabricated with its spin-coated polycrystalline thin films.

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

    KAUST Repository

    Peng, Wei

    2017-04-01

    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

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

    Science.gov (United States)

    2017-10-09

    for AGG should be minimal. For this purpose, the seeds for AGG may also be provided externally. This process is called the solid-state single...bonding process . Figure 31 shows (a) the growth of one large single crystal from one small single crystal seed as well as (b) the growth of one...one bi-crystal seed : One large bi-crystal can be grown from one small bi-crystal by SSCG process . Fig. 32. Diffusion bonding process for

  4. Spall response of single-crystal copper

    Science.gov (United States)

    Turley, W. D.; Fensin, S. J.; Hixson, R. S.; Jones, D. R.; La Lone, B. M.; Stevens, G. D.; Thomas, S. A.; Veeser, L. R.

    2018-02-01

    We performed a series of systematic spall experiments on single-crystal copper in an effort to determine and isolate the effects of crystal orientation, peak stress, and unloading strain rate on the tensile spall strength. Strain rates ranging from 0.62 to 2.2 × 106 s-1 and peak shock stresses in the 5-14 GPa range, with one additional experiment near 50 GPa, were explored as part of this work. Gun-driven impactors, called flyer plates, generated flat top shocks followed by spall. This work highlights the effect of crystal anisotropy on the spall strength by showing that the spall strength decreases in the following order: [100], [110], and [111]. Over the range of stresses and strain rates explored, the spall strength of [100] copper depends strongly on both the strain rate and shock stress. Except at the very highest shock stress, the results for the [100] orientation show linear relationships between the spall strength and both the applied compressive stress and the strain rate. In addition, hydrodynamic computer code simulations of the spall experiments were performed to calculate the relationship between the strain rate near the spall plane in the target and the rate of free surface velocity release during the pullback. As expected, strain rates at the spall plane are much higher than the strain rates estimated from the free surface velocity release rate. We have begun soft recovery experiments and molecular dynamics calculations to understand the unusual recompression observed in the spall signature for [100] crystals.

  5. Colour centre-free perovskite single crystals

    International Nuclear Information System (INIS)

    Petit, Pierre-Olivier; Petit, Johan; Goldner, Philippe; Viana, Bruno

    2009-01-01

    Yb 3+ :YAlO 3 (YAP) and Yb 3+ :GdAlO 3 (GAP) are interesting 1 μm high-power laser media thanks to their very good thermo-mechanical properties. However, as-grown perovskite single crystals exhibit colour centres. Parasitic thermal load generated by these centres is deleterious for high-power laser action and can lead to crystal damages. Moreover these defects decrease Yb 3+ lifetime. They are related to trapped holes on the oxygen network. In the present work, several schemes to remove colour centres are presented. Attention is focused on cerium codoping, thermal annealing under reducing atmosphere and growth of non-stoechiometric compounds.

  6. Growth of single crystals of BaFe12O19 by solid state crystal growth

    International Nuclear Information System (INIS)

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

    2016-01-01

    Single crystals of BaFe 12 O 19 are grown for the first time by solid state crystal growth. Seed crystals of BaFe 12 O 19 are buried in BaFe 12 O 19 +1 wt% BaCO 3 powder, which are then pressed into pellets containing the seed crystals. During sintering, single crystals of BaFe 12 O 19 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 BaFe 12 O 19 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. - Highlights: • Single crystals of BaFe 12 O 19 are grown by solid state crystal growth. • A single crystal up to ∼130 μm thick (c-axis direction) grows on the seed crystal. • The single crystal and surrounding ceramic matrix have similar composition. • Micro-Raman scattering shows the single crystal has the BaFe 12 O 19 structure.

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

    Directory of Open Access Journals (Sweden)

    K. Rajesh

    2014-01-01

    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.

  8. Structural templating in a nonplanar phthalocyanine using single crystal copper iodide

    OpenAIRE

    Rochford, L. A. (Luke A.); Ramadan, Alexandra J.; Keeble, Dean S.; Ryan, Mary P.; Heutz, Sandrine; Jones, T. S. (Tim S.)

    2015-01-01

    Solution-grown copper iodide crystals are used as substrates for the templated growth of the nonplanar vanadyl phthalocyanine using organic molecular beam deposition. Structural characterization reveals a single molecular orientation produced by the (111) Miller plane of the copper iodide crystals. These fundamental measurements show the importance of morphology and structure in templating interactions for organic electronics applications.

  9. Growth and surface topography of WSe_2 single crystal

    International Nuclear Information System (INIS)

    Dixit, Vijay; Vyas, Chirag; Pataniya, Pratik; Jani, Mihir; Pathak, Vishal; Patel, Abhishek; Pathak, V. M.; Patel, K. D.; Solanki, G. K.

    2016-01-01

    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_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_2 crystals. Single crystalline nature of the crystals was confirmed by SAED.

  10. The new single crystal diffractometer SC3

    International Nuclear Information System (INIS)

    Schefer, J.; Koch, M.; Keller, P.; Fischer, S.; Thut, R.

    1996-01-01

    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 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 2Θ. each detector may be individually moved around a vertical circle (tilting angle γ), 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

  11. 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)

    1996-11-01

    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.

  12. Thermal shock cracking of GSO single crystal

    International Nuclear Information System (INIS)

    Miyazaki, Noriyuki; Yamamoto, Kazunari; Tamura, Takaharu; Kurashige, Kazuhisa; Ishibashi, Hiroyuki; Susa, Kenzo

    1998-01-01

    The quantitative estimation of the failure stress of a gadolinium orthosilicate (Gd 2 SiO 5 , hereafter abbreviated as GSO) single crystal due to thermal shock was investigated. A cylindrical test specimen was heated in a silicone oil bath, then subjected to thermal shock by pouring room temperature silicone oil. Cracking occurred during cooling. The heat conduction analysis was performed to obtain temperature distribution in a GSO single crystal at cracking, using the surface temperatures measured in the thermal shock cracking test. Then the thermal stress was calculated using temperature profile of the test specimen obtained from the heat conduction analysis. It is found from the results of the thermal stress analysis and the observation of the cracking in test specimens that the thermal shock cracking occurs in a cleavage plane due to the stress normal to the plane. Three-point bending tests were also performed to examine the relationship between the critical stress for thermal shock cracking and the three-point bending strength obtained from small-sized test specimens. (author)

  13. Oriented hydroxyapatite single crystals produced by the electrodeposition method

    Energy Technology Data Exchange (ETDEWEB)

    Santos, E.A. dos, E-mail: euler@ufs.br [INSA - Groupe Ingenierie des Surfaces, 24, Bld de la Victoire, 67084 Strasbourg (France); IPCMS - Departement de Surfaces et Interfaces, 23, rue du Loess, BP 43, 67034 Strasbourg (France); Moldovan, M.S. [INSA - Groupe Ingenierie des Surfaces, 24, Bld de la Victoire, 67084 Strasbourg (France); IPCMS - Departement de Surfaces et Interfaces, 23, rue du Loess, BP 43, 67034 Strasbourg (France); Jacomine, L. [INSA - Groupe Ingenierie des Surfaces, 24, Bld de la Victoire, 67084 Strasbourg (France); Mateescu, M. [IS2M - Equipe Interaction Surface-Matiere Vivant, 15, rue Jean Starcky, BP 2488, 68057 Mulhouse (France); Werckmann, J. [IPCMS - Departement de Surfaces et Interfaces, 23, rue du Loess, BP 43, 67034 Strasbourg (France); Anselme, K. [IS2M - Equipe Interaction Surface-Matiere Vivant, 15, rue Jean Starcky, BP 2488, 68057 Mulhouse (France); Mille, P.; Pelletier, H. [INSA - Groupe Ingenierie des Surfaces, 24, Bld de la Victoire, 67084 Strasbourg (France)

    2010-05-25

    We propose here the use of cathodic electrodeposition as tool to fabricate implant coatings consisting in nano/micro single crystals of hydroxyapatite (HA), preferentially orientated along the c-axis. Coating characterization is the base of this work, where we discuss the mechanisms related to the deposition of oriented hydroxyapatite thin films. It is shown that when deposited on titanium alloys, the HA coating is constituted by two distinct regions with different morphologies: at a distance of few microns from the substrate, large HA single crystals are oriented along the c-axis and appear to grow up from a base material, consisting in an amorphous HA. This organized system has a great importance for cell investigation once the variables involved in the cell/surface interaction are reduced. The use of such systems could give a new insight on the effect of particular HA orientation on the osteoblast cells.

  14. Growth of single crystals of BaFe12O19 by solid state crystal growth

    Science.gov (United States)

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

    2016-10-01

    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.

  15. Surface relief grating formation on a single crystal of 4-(dimethylamino)azobenzene

    International Nuclear Information System (INIS)

    Nakano, Hideyuki; Tanino, Takahiro; Shirota, Yasuhiko

    2005-01-01

    Surface relief grating (SRG) formation on an organic single crystal by irradiation with two coherent laser beams has been demonstrated by using 4-(dimethylamino)azobenzene (DAAB). It was found that the SRG formation was greatly depending upon both the coordination of the crystal and the polarization of the writing beams. The dependence of the polarization of writing beams on the SRG formation using the single crystal was found to be quite different from that reported for amorphous polymers and photochromic amorphous molecular materials, suggesting that the mechanism of the SRG formation on the organic crystal is somewhat different from that on amorphous materials

  16. Bulk crystal growth and their effective third order nonlinear optical properties of 2-(4-fluorobenzylidene) malononitrile (FBM) single crystal

    Science.gov (United States)

    Priyadharshini, A.; Kalainathan, S.

    2018-04-01

    2-(4-fluorobenzylidene) malononitrile (FBM), an organic third order nonlinear (TONLO) single crystal with the dimensions of 32 × 7 × 11 mm3, has been successfully grown in acetone solution by slow evaporation technique at 35 °C. The crystal system (triclinic), space group (P-1) and crystalline purity of the titular crystal were measured by single crystal and powder X-ray diffraction, respectively. The molecular weight and the multiple functional groups of the FBM material were confirmed through the mass and FT-IR spectral analysis. UV-Vis-NIR spectral study enroles that the FBM crystal exhibits excellent transparency (83%) in the entire visible and near infra-red region with a wide bandgap 2.90 eV. The low dielectric constant (εr) value of FBM crystal is appreciable for microelectronics industry applications. Thermal stability and melting point (130.09 °C) were ascertained by TGA-DSC analysis. The laser-induced surface damage threshold (LDT) value of FBM specimen is found to be 2.14 GW/cm2, it is fairly good compared to other reported NLO crystals. The third - order nonlinear optical character of the FBM crystal was confirmed through the typical single beam Z-scan technique. All these finding authorized that the organic crystal of FBM is favorably suitable for NLO applications.

  17. Investigations of morphological changes during annealing of polyethylene single crystals

    NARCIS (Netherlands)

    Tian, M.; Loos, J.

    2001-01-01

    The morphological evolution of isolated individual single crystals deposited on solid substrates was investigated during annealing experiments using in situ and ex situ atomic force microscopy techniques. The crystal morphology changed during annealing at temperatures slightly above the original

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

    KAUST Repository

    Peng, Wei

    2017-01-01

    Despite their outstanding charge transport characteristics, organolead halide perovskite single crystals grown by hitherto reported crystallization methods are not suitable for most optoelectronic devices due to their small aspect ratios

  19. High-quality single crystals for neutron experiments

    Indian Academy of Sciences (India)

    studies and our collaborative research projects with other UK and international groups will be discussed. Keywords. Crystal growth; floating zone method; neutron scattering. ... of single crystals of new materials is a highly competitive business.

  20. Growth and characterization of nonlinear optical single crystals: bis ...

    Indian Academy of Sciences (India)

    Administrator

    molecules have received great attention for NLO applica- tions. However ... Figure 3. Single crystals of bis(cyclohexylammonium) terephthalate (crystal a) and cyclohexylammo- .... from ground state to higher energy states.17 Optical window ...

  1. Solar cell structure incorporating a novel single crystal silicon material

    Science.gov (United States)

    Pankove, Jacques I.; Wu, Chung P.

    1983-01-01

    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.

  2. Cyclic deformation of Nb single crystals

    International Nuclear Information System (INIS)

    Guiu, F.; Anglada, M.

    1982-01-01

    The temperature and strain-rate dependence of the cyclic flow stress of Nb single crystals with two different axial orientations has been studied at temperatures between 175 and 350 K. This dependence is found to be independent of the crystal orientation when the internal stresses are taken into account, and the results are discussed in terms of the theory of thermally activated dislocation glide. A transition temperature can be identified at about 250 K which separates two regions with different thermally activated deformation behaviour. Above this transition temperature the strain rate can be described by a stress power law, and the activation energy can be represented by a logarithmic function of the stress, as in Escaig's model of screw dislocation mobility. In the temperature range 170 to 250 K the results are also in agreement with the more recent model proposed by Seeger. The large experimental errors inherent in the values of activation enthalpy at low stresses are emphasized and taken into account in the discussion of the results. It is suggested that either impurity-kink interactions or the flexibility of the screw dislocations are responsible for the trend towards the high values of activation enthalpy measured at the low stresses. (author)

  3. Press forging of single crystal calcium fluoride

    International Nuclear Information System (INIS)

    Turk, R.R.

    1975-01-01

    Single crystals of high-purity calcium fluoride have been deformed uniaxially in an attempt to improve strength and resistance to cleavage, without impairing infrared transmission. Order of magnitude increases in strength, such as those found in forged KCl, have not been attained, but fine-grained polycrystalling material has been produced which is resistant to crystalline cleavage. Deformation rates of 10 -2 min -1 , reductions of 10 to 73 percent in height, and deformation temperatures of 550 to 1000 0 C have been used. Flexural strengths over 13,000 psi and grain sizes down to 5 μm have been obtained. Reduction of residual stress through heat treatment has been studied, and resultant techniques applied before, during, and after deformation. No increase in infrared absorption has been noted at the CO laser wavelength of 5.3 μm

  4. Electronic structure of single crystal C60

    International Nuclear Information System (INIS)

    Wu, J.; Shen, Z.X.; Dessau, D.S.; Cao, R.; Marshall, D.S.; Pianetta, P.; Lindau, I.; Yang, X.; Terry, J.; King, D.M.; Wells, B.O.; Elloway, D.; Wendt, H.R.; Brown, C.A.; Hunziker, H.; Vries, M.S. de

    1992-01-01

    We report angle-resolved photoemission data from single crystals of C 60 cleaved in UHV. Unlike the other forms of pure carbon, the valence band spectrum of C 60 consists of many sharp features that can be essentially accounted for by the quantum chemical calculations describing individual molecules. This suggests that the electronic structure of solid C 60 is mainly determined by the bonding interactions within the individual molecules. We also observe remarkable intensity modulations of the photoemission features as a function of photon energy, suggesting strong final state effects. Finally, we address the issue of the band width of the HOMO state of C 60 . We assert that the width of the photoemission peak of C 60 does not reflect the intrinsic band width because it is broadened by the non 0-0 transitions via the Franck-Condon principle. Our view point provides a possible reconciliation between these photoemission data and those measured by other techniques. (orig.)

  5. Photoluminescent properties of single crystal diamond microneedles

    Science.gov (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.

    2018-01-01

    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.

  6. Hydrogen Annealing Of Single-Crystal Superalloys

    Science.gov (United States)

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

    1995-01-01

    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.

  7. EPR of CU+2:Mb single crystal

    International Nuclear Information System (INIS)

    Nascimento, O.R.; Ribeiro, S.C.; Bemski, G.

    1976-01-01

    Copper introduced into met-myoglobin crystals occupies various sites as indicated by EPR parameters. CU 2+ (A) is probably liganded to histidine A10, lysine A14 and asparagine GH4 (Banaszak, 1965) and shows super-hyperfine interaction with a single (imidazole) nitrogen. Cu 2+ (B) and Cu 2+ (C) correspond to other anisotropic sites described with lesser details. Cu 2+ (A) exhibits a transition to an isotropic form with a transition temperature of 40.5 0 C. This transition is indicative of a conformational change in myoglobin and could correspond to a motion of A helix away from the GH section. The transition temperature is 7 0 C higher than the previously reported (Atanasov, 1971) one for myoglobin in solution

  8. 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)

    2006-12-01

    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).

  9. Chlorination of irradiated polyethylene single crystals

    International Nuclear Information System (INIS)

    Grimm, H.J.

    1978-01-01

    The chlorination of electron beam-irradiation polyethylene (PE) single crystals was studied for a range of irradiation doses, temperatures, and chlorine interaction times. The results presented show that PE chlorination was quite extensive, even in unirradiated PE single crystals at 25 0 C in the dark. Electron Spin Resonance (ESR, EPR) was used in this study in order to determine the alkyl radical concentration, decay constant, and diffusivity for (unchlorinated) specimens. An alkyl radical diffusivity D/sub a/ = 1.6 x 10 -17 cm 2 /sec at 25 0 C was estimated from ESR data and alkyl radical migration as one-dimensional unsteady-state diffusion process. In irradiated PE, chlorination occurred mainly via chain reactions which were initiated by the irradiation-produced free radicals. Chlorine content values were determined by X-ray Energy Spectroscopy (XES). It was found that the magnitude of the chlorine uptake increased with increasing dose, and decreased with decreasing temperature at constant dose. Otherwise the observed PE chlorination phenomena was quite similar for all of the doses and temperatures studied here, consisting of a two step mechanism: a fast uptake which occurred between time tCl 2 = 0 - 5 minutes and a slower, approximately first-order rate of uptake which occurred between times tCl 2 = 5 - 120 minutes. Chlorination was essentially complete by time tCl 2 = 120 minutes. The rapid uptake probably occurred in the amorphous surface zones where Cl 2 is relatively high and the second, slower step was probably attributable to Cl 2 diffusion into the crystalline regions and subsequent chlorination there. Inasmuch as the PE density decreases with increasing dose (for 1-600 Mrad), Cl 2 diffusivity was enhanced, resulting in higher chlorine uptake values at higher doses

  10. Single-crystal growth of ceria-based materials

    International Nuclear Information System (INIS)

    Ulbrich, Gregor

    2015-01-01

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

  11. Production and several properties of single crystal austenitic stainless steels

    International Nuclear Information System (INIS)

    Okamoto, Kazutaka; Yoshinari, Akira; Kaneda, Junya; Aono, Yasuhisa; Kato, Takahiko

    1998-01-01

    The single crystal austenitic stainless steels Type 316L and 304L were grown in order to improve the resistance to stress corrosion cracking (SCC) using a unidirectional solidification method which can provide the large size single crystals. The mechanical properties and the chemical properties were examined. The orientation and temperature dependence of tensile properties of the single crystals were measured. The yield stress of the single crystal steels are lower than those of the conventional polycrystal steels because of the grain boundary strength cannot be expected in the single crystal steels. The tensile properties of the single crystal austenitic stainless steel Type 316L depend strongly on the orientation. The tensile strength in orientation are about 200 MPa higher than those in the and orientations. The microstructure of the single crystal consists of a mixture of the continuous γ-austenitic single crystal matrix and the δ-ferrite phase so that the effects of the γ/δ boundaries on the chemical properties were studied. The effects of the δ-ferrite phases and the γ/δ boundaries on the resistance to SCC were examined by the creviced bent beam test (CBB test). No crack is observed in all the CBB test specimens of the single crystals, even at the γ/δ boundaries. The behavior of the radiation induced segregation (RIS) at the γ/δ boundaries in the single crystal austenitic stainless steel Type 316L was evaluated by the electron irradiation test in the high voltage electron microscope (HVEM). The depletion of oversized solute chromium at the γ/δ boundary in the single crystal austenitic stainless steel Type 316L is remarkably lower than that at the grain boundary in the polycrystalline-type 316L. (author)

  12. Thermomechanical fatigue in single crystal superalloys

    Directory of Open Access Journals (Sweden)

    Moverare Johan J.

    2014-01-01

    Full Text Available Thermomechanical fatigue (TMF is a mechanism of deformation which is growing in importance due to the efficiency of modern cooling systems and the manner in which turbines and associated turbomachinery are now being operated. Unfortunately, at the present time, relatively little research has been carried out particularly on TMF of single crystal (SX superalloys, probably because the testing is significantly more challenging than the more standard creep and low cycle fatigue (LCF cases; the scarcity and relative expense of the material are additional factors. In this paper, the authors summarise their experiences on the TMF testing of SX superalloys, built up over several years. Emphasis is placed upon describing: (i the nature of the testing method, the challenges involved in ensuring that an given testing methodology is representative of engine conditions (ii the behaviour of a typical Re-containing second generation alloy such as CMSX-4, and its differing performance in out-of-phase/in-phase loading and crystallographic orientation and (iii the differences in behaviour displayed by the Re-containing alloys and new Re-free variants such as STAL15. It is demonstrated that the Re-containing superalloys are prone to different degradation mechanisms involving for example microtwinning, TCP precipitation and recrystallisation. The performance of STAL15 is not too inferior to alloys such as CMSX-4, suggesting that creep resistance itself does not correlate strongly with resistance to TMF. The implications for alloy design efforts are discussed.

  13. Magnetoresistance in terbium and holmium single crystals

    International Nuclear Information System (INIS)

    Singh, R.L.; Jericho, M.H.; Geldart, D.J.W.

    1976-01-01

    The longitudinal magnetoresistance of single crystals of terbium and holmium metals in their low-temperature ferromagnetic phase has been investigated in magnetic fields up to 80 kOe. Typical magnetoresistance isotherms exhibit a minimum which increases in depth and moves to higher fields as the temperature increases. The magnetoresistance around 1 0 K, where inelastic scattering is negligible, has been interpreted as the sum of a negative contribution due to changes in the domain structure and a positive contribution due to normal magnetoresistance. At higher temperatures, a phenomenological approach has been developed to extract the inelastic phonon and spin-wave components from the total measured magnetoresistance. In the temperature range 4--20 0 K (approximately), the phonon resistivity varies as T 3 . 7 for all samples. Approximate upper and lower bounds have been placed on the spin-wave resistivity which is also found to be described by a simple power law in this temperature range. The implications of this result for theoretical treatments of spin-wave resistivity due to s-f exchange interactions are considered. It is concluded that the role played by the magnon energy gap is far less transparent than previously suggested

  14. Czochralski method of growing single crystals. State-of-art

    International Nuclear Information System (INIS)

    Bukowski, A.; Zabierowski, P.

    1999-01-01

    Modern Czochralski method of single crystal growing has been described. The example of Czochralski process is given. The advantages that caused the rapid progress of the method have been presented. The method limitations that motivated the further research and new solutions are also presented. As the example two different ways of the technique development has been described: silicon single crystals growth in the magnetic field; continuous liquid feed of silicon crystals growth. (author)

  15. LASER PROCESSING ON SINGLE CRYSTALS BY UV PULSE LASER

    OpenAIRE

    龍見, 雅美; 佐々木, 徹; 高山, 恭宜

    2009-01-01

    Laser processing by using UV pulsed laser was carried out on single crystal such as sapphire and diamond in order to understand the fundamental laser processing on single crystal. The absorption edges of diamond and sapphire are longer and shorter than the wave length of UV laser, respectively. The processed regions by laser with near threshold power of processing show quite different state in each crystal.

  16. Distributed Feedback Laser Based on Single Crystal Perovskite

    Science.gov (United States)

    Sun, Shang; Xiao, Shumin; Song, Qinghai

    2017-06-01

    We demonstrate a single crystal perovskite based, with grating-structured photoresist on top, highly polarized distributed feedback laser. A lower laser threshold than the Fabry-Perot mode lasers from the same single crystal CH3NH3PbBr3 microplate was obtained. Single crystal CH3NH3PbBr3 microplates was synthesized with one-step solution processed precipitation method. Once the photoresist on top of the microplate was patterned with electron beam, the device was realized. This one-step fabrication process utilized the advantage of single crystal to the greatest extend. The ultra-low defect density in single crystalline microplate offer an opportunity for lower threshold lasing action compare with poly-crystal perovskite films. In the experiment, the lasing action based on the distributed feedback grating design was found with lower threshold and higher intensity than the Fabry-Perot mode lasers supported by the flat facets of the same microplate.

  17. Reshock and release response of aluminum single crystal

    International Nuclear Information System (INIS)

    Huang, H.; Asay, J. R.

    2007-01-01

    Reshock and release experiments were performed on single crystal aluminum along three orientations and on polycrystalline 1050 aluminum with 50 μm grain size at shock stresses of 13 and 21 GPa to investigate the mechanisms for previously observed quasielastic recompression behavior. Particle velocity profiles obtained during reshocking both single crystals and polycrystalline aluminum from initial shock stresses of 13-21 GPa show similar quasielastic recompression behavior. Quasielastic release response is also observed in all single crystals, but the magnitude of the effect is crystal orientation dependent, with [111] and [110] exhibiting more ideal elastic-plastic release for unloading from the shocked state than for the [100] orientation and polycrystalline aluminum. The quasielastic response of 1050 aluminum is intermediate to that of the [100] and [111] orientations. Comparison of the wave profiles obtained for both unloading and reloading of single crystals and polycrystalline 1050 aluminum from shocked states suggests that the observed quasielastic response of polycrystalline aluminum results from the averaging response of single crystals for shock propagation along different orientations, and that the response of 1050 aluminum with large grain boundaries is not significantly different from the results obtained on single crystal aluminum. The yield strength of the single crystals and 1050 aluminum is found to increase with shock stress, which is consistent with previous results [H. Huang and I. R. Asay, J. Appl. Phys. 98, 033524 (2005)

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

    KAUST Repository

    Saidaminov, Makhsud I.

    2015-07-06

    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.

  19. Excitonic polaritons of zinc diarsenide single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Syrbu, N.N., E-mail: sirbunn@yahoo.com [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)

    2017-02-01

    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.

  20. Prospects for the synthesis of large single-crystal diamonds

    International Nuclear Information System (INIS)

    Khmelnitskiy, R A

    2015-01-01

    The unique properties of diamond have stimulated the study of and search for its applications in many fields, including optics, optoelectronics, electronics, biology, and electrochemistry. Whereas chemical vapor deposition allows the growth of polycrystalline diamond plates more than 200 mm in diameter, most current diamond application technologies require large-size (25 mm and more) single-crystal diamond substrates or films suitable for the photolithography process. This is quite a challenge, because the largest diamond crystals currently available are 10 mm or less in size. This review examines three promising approaches to fabricating large-size diamond single crystals: growing large-size single crystals, the deposition of heteroepitaxial diamond films on single-crystal substrates, and the preparation of composite diamond substrates. (reviews of topical problems)

  1. Impact of exact exchange in the description of the electronic structure of organic charge-transfer molecular crystals

    KAUST Repository

    Fonari, Alexandr; Sutton, Christopher; Bredas, Jean-Luc; Coropceanu, Veaceslav

    2014-01-01

    in high-mobility organic crystals. We consider both crystals based on a single molecule, such as pentacene, and crystals based on mixed-stack charge-transfer systems, such as dibenzo-TTF–TCNQ. In the pentacene crystal, the band gap decreases

  2. Ultra-large single crystals by abnormal grain growth.

    Science.gov (United States)

    Kusama, Tomoe; Omori, Toshihiro; Saito, Takashi; Kise, Sumio; Tanaka, Toyonobu; Araki, Yoshikazu; Kainuma, Ryosuke

    2017-08-25

    Producing a single crystal is expensive because of low mass productivity. Therefore, many metallic materials are being used in polycrystalline form, even though material properties are superior in a single crystal. Here we show that an extraordinarily large Cu-Al-Mn single crystal can be obtained by abnormal grain growth (AGG) induced by simple heat treatment with high mass productivity. In AGG, the sub-boundary energy introduced by cyclic heat treatment (CHT) is dominant in the driving pressure, and the grain boundary migration rate is accelerated by repeating the low-temperature CHT due to the increase of the sub-boundary energy. With such treatment, fabrication of single crystal bars 70 cm in length is achieved. This result ensures that the range of applications of shape memory alloys will spread beyond small-sized devices to large-scale components and may enable new applications of single crystals in other metallic and ceramics materials having similar microstructural features.Growing large single crystals cheaply and reliably for structural applications remains challenging. Here, the authors combine accelerated abnormal grain growth and cyclic heat treatments to grow a superelastic shape memory alloy single crystal to 70 cm.

  3. Spherical Nb single crystals containerlessly grown by electrostatic levitation

    International Nuclear Information System (INIS)

    Sung, Y.S.; Takeya, H.; Hirata, K.; Togano, K.

    2003-01-01

    Spherical Nb (T m =2750 K) single crystals were grown via containerless electrostatic levitation (ESL). Samples became spherical at melting in levitation and undercooled typically 300-450 K prior to nucleation. As-processed samples were still spherical without any macroscopic shape change by solidification showing a uniform dendritic surface morphology. Crystallographic {111} planes exposed in equilateral triangular shapes on the surface by preferential macroetching and spotty back-reflection Laue patterns confirm the single crystal nature of the ESL-processed Nb samples. No hysteresis in magnetization between zero field and field cooling also implies a clean defect-free condition of the spherical Nb single crystals

  4. Electroerosion impulse effect on W single crystal structure

    International Nuclear Information System (INIS)

    Aleshina, S.A.; Khvostikova, V.D.; Zolotykh, B.N.; Marchuk, A.I.

    1977-01-01

    The mechanism has been studied of brittle failure of single crystal tungsten on planes of crystallographic orientations [100], [110]; [111] in the process of electro-erosion machining by pulses of energies ranging from 1200 to 5000 μJ and of duration of 1 μs. It is shown that the electro-erosion machining of single crystal tungsten is characterized by the formation of a defect layer with a grid of microcracks which lie at a depth of approximately 80 μm. The appearance and the distribution of cracks on the surface of single crystals depends on the crystallogrpahic orientation

  5. Dielectric and baric characteristics of TlS single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Mustafaeva, S.N., E-mail: solmust@gmail.com [Institute of Physics, ANAS, G. Javid prosp. 33, Az 1143 Baku (Azerbaijan); Asadov, M.M. [Institute of Chemical Problems, ANAS, G. Javid prosp. 29, Az 1143 Baku (Azerbaijan); Ismailov, A.A. [Institute of Physics, ANAS, G. Javid prosp. 33, Az 1143 Baku (Azerbaijan)

    2014-11-15

    The investigation of the frequency dependences of the dielectric coefficients and ac-conductivity of the TlS single crystals made it possible to elucidate the nature of dielectric loss and the charge transfer mechanism. Moreover, we evaluated the density and energy spread of localized states near the Fermi level, the average hopping time and the average hopping length. It was shown that the dc-conductivity of the TlS single crystals can be controlled by varying the hydrostatic pressure. This has opened up possibilities for using TlS single crystals as active elements of pressure detectors.

  6. Growth of Ga2O3 single crystal

    OpenAIRE

    龍見, 雅美; 小池, 裕之; 市木, 伸明; Tatsumi, Masami; Koike, Hiroyuki; Ichiki, Nobuaki

    2010-01-01

    Single crystals of β-Ga2O3 for substrates of GaN LED were grown by Floating Zone(FZ) method. The transparent single crystals of 5-6 mm in diameter were reproducibly obtained by applying necking procedure and the preferential growth direction was . Many cracks were induced along the cleavage plane of (100) in slicing process, which is related to thermal stress and the growth direction. However, this preliminary growth experiments suggested that β-Ga2O3 single crystal is promising as a substrat...

  7. Resistivity distribution of silicon single crystals using codoping

    Science.gov (United States)

    Wang, Jong Hoe

    2005-07-01

    Numerous studies including continuous Czochralski method and double crucible technique have been reported on the control of macroscopic axial resistivity distribution in bulk crystal growth. The simple codoping method for improving the productivity of silicon single-crystal growth by controlling axial specific resistivity distribution was proposed by Wang [Jpn. J. Appl. Phys. 43 (2004) 4079]. Wang [J. Crystal Growth 275 (2005) e73] demonstrated using numerical analysis and by experimental results that the axial specific resistivity distribution can be modified in melt growth of silicon crystals and relatively uniform profile is possible by B-P codoping method. In this work, the basic characteristic of 8 in silicon single crystal grown using codoping method is studied and whether proposed method has advantage for the silicon crystal growth is discussed.

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

    Indian Academy of Sciences (India)

    Unknown

    Abstract. Ammonium hydrogen d-tartrate (d-AHT) single crystals were grown in silica gel. The growth fea- ... solution (specific gravity, 1⋅04 g/cc) with d-tartaric acid solution having ... resulting in the production of crystal nuclei. The interface.

  9. On the growth of calcium tartrate tetrahydrate single crystals

    Indian Academy of Sciences (India)

    Unknown

    Abstract. Calcium tartrate single crystals were grown using silica gel as the growth medium. Calcium for- mate mixed with formic acid was taken as the supernatant solution. It was observed that the nucleation den- sity was reduced and the size of the crystals was improved to a large extent compared to the conventional way.

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

    Energy Technology Data Exchange (ETDEWEB)

    Umeda, Minoru, E-mail: mumeda@vos.nagaokaut.ac.jp [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)

    2016-12-01

    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.

  11. Single crystal magnetisation of UFe10Mo2

    International Nuclear Information System (INIS)

    Estrela, P.; Godinho, M.; Spirlet, J.C.

    1997-01-01

    Magnetisation measurements have been performed for different directions on aligned UFe 10 Mo 2 single crystals. The results confirm a basal plane anisotropy and suggest an important magnetic contribution from the uranium sublattice. (orig.)

  12. Hydrothermal syntheses and single crystal structural ...

    Indian Academy of Sciences (India)

    Unknown

    Colourless. 84 lined stainless steel bomb. After heating in a pro- grammable oven at the respective temperatures and autogenous pressures for the notified time scale, cooling was carried out on a ramp of 10°C/h to room temperature. The crystals were collected by filtration, washed with, deionized water followed by diethyl-.

  13. Synthesis, growth, crystal structure, optical and third order nonlinear optical properties of quinolinium derivative single crystal: PNQI

    Science.gov (United States)

    Karthigha, S.; Krishnamoorthi, C.

    2018-03-01

    An organic quinolinium derivative nonlinear optical (NLO) crystal, 1-ethyl-2-[2-(4-nitro-phenyl)-vinyl]-quinolinium iodide (PNQI) was synthesized and successfully grown by slow evaporation solution growth technique. Formation of a crystalline compound was confirmed by single crystal X-ray diffraction. The quinolinium compound PNQI crystallizes in the triclinic crystal system with a centrosymmetric space group of P-1 symmetry. The molecular structure of PNQI was confirmed by 1H NMR and 13C NMR spectral studies. The thermal properties of the crystal have been investigated by thermogravimetric (TG) and differential scanning calorimetry (DSC) studies. The optical characteristics obtained from UV-Vis-NIR spectral data were described and the cut-off wavelength observed at 506 nm. The etching study was performed to analyse the growth features of PNQI single crystal. The third order NLO properties such as nonlinear refractive index (n2), nonlinear absorption coefficient (β) and nonlinear susceptibility (χ (3)) of the crystal were investigated using Z-scan technique at 632.8 nm of Hesbnd Ne laser.

  14. 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)

    2017-07-25

    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.

  15. Nanomechanical resonant structures in single-crystal diamond

    OpenAIRE

    Burek, Michael J.; Ramos, Daniel; Patel, Parth; Frank, Ian W.; Lončar, Marko

    2013-01-01

    With its host of outstanding material properties, single-crystal diamond is an attractive material for nanomechanical systems. Here, the mechanical resonance characteristics of freestanding, single-crystal diamond nanobeams fabricated by an angled-etching methodology are reported. Resonance frequencies displayed evidence of significant compressive stress in doubly clamped diamond nanobeams, while cantilever resonance modes followed the expected inverse-length-squared trend. Q-factors on the o...

  16. Crystal growth and scintillation properties of Pr-doped SrI2 single crystals

    Science.gov (United States)

    Yokota, Yuui; Ito, Tomoki; Yoshino, Masao; Yamaji, Akihiro; Ohashi, Yuji; Kurosawa, Shunsuke; Kamada, Kei; Yoshikawa, Akira

    2018-04-01

    Pr-doped SrI2 (Pr:SrI2) single crystals with various Pr concentrations were grown by the halide-micro-pulling-down (H-μ-PD) method, and the scintillation properties were investigated. Pr1%:SrI2 single crystal with high transparency could be grown by the H-μ-PD method while Pr2, 3 and 5%:SrI2 single crystals included some cracks and opaque parts. In the photoluminescence spectrum of the Pr1%:SrI2 single crystal, an emission peak originated from the Pr3+ ion was observed around 435 nm while the radioluminescence spectra showed an emission peak around 535 nm for the undoped SrI2 and Pr:SrI2 single crystals. Light yields of Pr1, 2, 3 and 5%:SrI2 single crystals under γ-ray irradiation were 7700, 8700, 7200 and 6700 photons/MeV, respectively. Decay times of Pr1 and 2%:SrI2 single crystals under γ-ray irradiation were 55.9 and 35.0 ns of the fast decay component, and 435 and 408 ns of the slow decay component, respectively.

  17. Hydrothermal growth of PbSO4 (Anglesite) single crystal

    International Nuclear Information System (INIS)

    Kikuta, Ko-ichi; Yoneta, Yasuhito; Yogo, Toshinobu; Hirano, Shin-ichi

    1994-01-01

    Hydrothermal growth of single crystals of PbSO 4 , which is known as a natural mineral called anglesite, was investigated. Lead nitrate and nitric acid solutions were found to be useful for the growth of angle-site on the basis of the experimental results on the dissolution behavior. Relatively large euhedral single crystals bound by {210} and {101} planes were successfully grown in 1.5 mol/kg Pb(NO 3 ) 2 at 400degC and 100 MPa. Optical characterization revealed that the grown anglesite crystals can be useful for scintillators material. (author)

  18. Iron single crystal growth from a lithium-rich melt

    Science.gov (United States)

    Fix, M.; Schumann, H.; Jantz, S. G.; Breitner, F. A.; Leineweber, A.; Jesche, A.

    2018-03-01

    α -Fe single crystals of rhombic dodecahedral habit were grown from a Li84N12Fe∼3 melt. Crystals of several millimeter along a side form at temperatures around T ≈ 800 ° C. Upon further cooling the growth competes with the formation of Fe-doped Li3N. The b.c.c. structure and good sample quality of α -Fe single crystals were confirmed by X-ray and electron diffraction as well as magnetization measurements and chemical analysis. A nitrogen concentration of 90 ppm was detected by means of carrier gas hot extraction. Scanning electron microscopy did not reveal any sign of iron nitride precipitates.

  19. Attenuation of thermal neutrons by an imperfect single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Naguib, K.; Adib, M. [National Research Centre, Cairo (Egypt). Reactor and Neutron Physics Dept.

    1996-06-14

    A semi-empirical formula is given which allows one to calculate the total thermal cross section of an imperfect single crystal as a function of crystal constants, temperature and neutron energy E, in the energy range between 3 meV and 10 eV. The formula also includes the contribution of the parasitic Bragg scattering to the total cross section that takes into account the crystal mosaic spread value and its orientation with respect to the neutron beam direction. A computer program (ISCANF) was developed to calculate the total attenuation of neutrons using the proposed formula. The ISCANF program was applied to investigate the neutron attenuation through a copper single crystal. The calculated values of the neutron transmission through the imperfect copper single crystal were fitted to the measured ones in the energy range 3-40 meV at different crystal orientations. The result of fitting shows that use of the computer program ISCANF allows one to predict the behaviour of the total cross section of an imperfect copper single crystal for the whole energy range. (author).

  20. Attenuation of thermal neutrons by an imperfect single crystal

    Science.gov (United States)

    Naguib, K.; Adib, M.

    1996-06-01

    A semi-empirical formula is given which allows one to calculate the total thermal cross section of an imperfect single crystal as a function of crystal constants, temperature and neutron energy E, in the energy range between 3 meV and 10 eV. The formula also includes the contribution of the parasitic Bragg scattering to the total cross section that takes into account the crystal mosaic spread value and its orientation with respect to the neutron beam direction. A computer program (ISCANF) was developed to calculate the total attenuation of neutrons using the proposed formula. The ISCANF program was applied to investigate the neutron attenuation through a copper single crystal. The calculated values of the neutron transmission through the imperfect copper single crystal were fitted to the measured ones in the energy range 3 - 40 meV at different crystal orientations. The result of fitting shows that use of the computer program ISCANF allows one to predict the behaviour of the total cross section of an imperfect copper single crystal for the whole energy range.

  1. Self-cavity lasing in optically pumped single crystals of p-sexiphenyl

    International Nuclear Information System (INIS)

    Yanagi, Hisao; Tamura, Kenji; Sasaki, Fumio

    2016-01-01

    Organic single-crystal self-cavities are prepared by solution growth of p-sexiphenyl (p-6P). Based on Fabry-Pérot feedback inside a quasi-lozenge-shaped platelet crystal, edge-emitting laser is obtained under optical pumping. The multimode lasing band appears at the 0-1 or 0-2 vibronic progressions depending on the excitation conditions which affect the self-absorption effect. Cavity-size dependence of amplified spontaneous emission (ASE) is investigated with laser-etched single crystals of p-6P. As the cavity length of square-shaped crystal is reduced from 100 to 10 μm, ASE threshold fluence is decreased probably due to size-dependent light confinement in the crystal cavity.

  2. Controlled growth of filamentary crystals and fabrication of single-crystal whisker probes

    International Nuclear Information System (INIS)

    Givargizov, E. I.

    2006-01-01

    The growth of filamentary crystals (whiskers) on a single-crystal substrate through the vapour-liquid-solid mechanism is described. The possibility of fabricating oriented systems of whiskers on the basis of this mechanism of crystal growth is noted. A phenomenon that is important for nanotechnology is noted: the existence of a critical diameter of whiskers, below which they are not formed. The phenomenon of radial periodic instability, which is characteristic of nanowhiskers, is described and the ways of its elimination are shown. The possibility of transforming whiskers into single-crystal tips and the growth of crystalline diamond particles at their apices are noted as important for practice. Possible applications of systems of whiskers and tips are described briefly. Particular attention is paid to the latest direction in whisker technology-fabrication of single-crystal whisker probes for atomic force microscopy

  3. Elastic properties of Ti-24Nb-4Zr-8Sn single crystals with bcc crystal structure

    International Nuclear Information System (INIS)

    Zhang, Y.W.; Li, S.J.; Obbard, E.G.; Wang, H.; Wang, S.C.; Hao, Y.L.; Yang, R.

    2011-01-01

    Research highlights: → The single crystals of Ti2448 alloy with the bcc crystal structure were prepared. → The elastic moduli and constants were measured by several resonant methods. → The crystal shows significant elastic asymmetry in tension and compression. → The crystal exhibits weak nonlinear elasticity with large elastic strain ∼2.5%. → The crystal has weak atomic interactions against crystal distortion to low symmetry. - Abstract: Single crystals of Ti2448 alloy (Ti-24Nb-4Zr-8Sn in wt.%) were grown successfully using an optical floating-zone furnace. Several kinds of resonant methods gave consistent Young's moduli of 27.1, 56.3 and 88.1 GPa and shear moduli of 34.8, 11.0 and 14.6 GPa for the , and oriented single crystals, and C 11 , C 12 and C 44 of 57.2, 36.1 and 35.9 GPa respectively. Uniaxial testing revealed asymmetrical elastic behaviors of the crystals: tension caused elastic softening with a large reversible strain of ∼4% and a stress plateau of ∼250 MPa, whereas compression resulted in gradual elastic stiffening with much smaller reversible strain. The crystals exhibited weak nonlinear elasticity with a large elastic strain of ∼2.5% and a high strength, approaching ∼20% and ∼30% of its ideal shear and ideal tensile strength respectively. The crystals showed linear elasticity with a small elastic strain of ∼1%. These elastic deformation characteristics have been interpreted in terms of weakened atomic interactions against crystal distortion to low crystal symmetry under external applied stresses. These results are consistent with the properties of polycrystalline Ti2448, including high strength, low elastic modulus, large recoverable strain and weak strengthening effect due to grain refinement.

  4. Mesoporous Zeolite Single Crystals for Catalytic Hydrocarbon Conversion

    DEFF Research Database (Denmark)

    Schmidt, I.; Christensen, Claus H.; Kustova, Marina

    2005-01-01

    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...... transport to and from active sites and at the same time maintain the shape-selectivity required. Thus, all these results support the idea that the beneficial effect of the mesopores system in the mesoporous zeolite single crystals call be solely attributed to enhanced mass transport....

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

    International Nuclear Information System (INIS)

    Bu Haishan; Cao Jie; Xu Shengyong; Zhang Ze

    1997-01-01

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

  6. Growth and characterization of unidirectional benzil single crystal for photonic applications

    Science.gov (United States)

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

    2018-06-01

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

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

    KAUST Repository

    Chao, Chunying; Ren, Zhaohui; Zhu, Yihan; Xiao, Zhen; Liu, Zhenya; Xú , Gang; Mai, Jiangquan; Li, Xiang; Shen, Ge; Han, Gaorong

    2012-01-01

    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

  8. Growth Aspects, Structural and Optical Properties of 2-aminopyridinium 2,4 Dinitrophenolate Single Crystal

    Directory of Open Access Journals (Sweden)

    S. Reena Devi

    2017-06-01

    Full Text Available Organic single crystal of 2-aminopyridinium 2,4-dinitrophenolate single crystal was grown by slow evaporation technique. The cell parameters and space group (P were determined from single X-ray diffraction analysis. HRXRD studies ascertained the crystalline quality. UV-Visible and PL spectral studies revealed the emission in red region, transparency (75% cutoff wavelength around 440 nm respectively. The laser damage threshold of grown crystal was estimated by using Nd:YAG laser beam and these results were mutually related with specific heat capacity of the grown crystal. The third-order nonlinear optical parameters were estimated by Z-scan technique which is useful for optical applications.

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

    KAUST Repository

    Bakr, Osman M.

    2016-02-18

    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.

  10. Facile growth of a single-crystal pattern: a case study of HKUST-1.

    Science.gov (United States)

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

    2012-12-18

    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.

  11. Anisotropy of Single-Crystal Silicon in Nanometric Cutting.

    Science.gov (United States)

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

    2017-12-01

    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.

  12. Observation of plastic deformation in freestanding single crystal Au nanowires

    International Nuclear Information System (INIS)

    Lee, Dongyun; Zhao Manhong; Wei Xiaoding; Chen Xi; Jun, Seong C.; Hone, James; Herbert, Erik G.; Oliver, Warren C.; Kysar, Jeffrey W.

    2006-01-01

    Freestanding single crystal nanowires of gold were fabricated from a single grain of pure gold leaf by standard lithographic techniques, with center section of 7 μm in length, 250 nm in width, and 100 nm in thickness. The ends remained anchored to a silicon substrate. The specimens were deflected via nanoindenter until plastic deformation was achieved. Nonlocalized and localized plastic deformations were observed. The resulting force-displacement curves were simulated using continuum single crystal plasticity. A set of material parameters which closely reproduce the experimental results suggests that the initial critical resolved shear stress was as high as 135 MPa

  13. Solution-grown organic single-crystalline p-n junctions with ambipolar charge transport.

    Science.gov (United States)

    Fan, Congcheng; Zoombelt, Arjan P; Jiang, Hao; Fu, Weifei; Wu, Jiake; Yuan, Wentao; Wang, Yong; Li, Hanying; Chen, Hongzheng; Bao, Zhenan

    2013-10-25

    Organic single-crystalline p-n junctions are grown from mixed solutions. First, C60 crystals (n-type) form and, subsequently, C8-BTBT crystals (p-type) nucleate heterogeneously on the C60 crystals. Both crystals continue to grow simultaneously into single-crystalline p-n junctions that exhibit ambipolar charge transport characteristics. This work provides a platform to study organic single-crystalline p-n junctions. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Crystallinity of the epitaxial heterojunction of C60 on single crystal pentacene

    Science.gov (United States)

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

    2017-06-01

    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.

  15. Perovskite single crystals and thin films for optoelectronic devices (Conference Presentation)

    Science.gov (United States)

    Li, Gang; Han, Qifeng; Yang, Yang; Bae, Sang-Hoon; Sun, Pengyu

    2016-09-01

    Hybrid organolead trihalide perovskite (OTP) solar cells have developed as a promising candidate in photovoltaics due to their excellent properties including a direct bandgap, strong absorption coefficient, long carrier lifetime, and high mobility. Most recently, formamidinium (NH2CH=NH2+ or FA) lead iodide (FAPbI3) has attracted significant attention due to several advantages: (1) the larger organic FA cation can replace the MA cation and form a more symmetric crystal structure, (2) the smaller bandgap of FAPbI3 allows for near infrared (NIR) absorption, and (3) FAPbI3 has an elevated decomposition temperature and thus potential to improve stability. Single crystals provide an excellent model system to study the intrinsic electrical and optical properties of these materials due to their high purity, which is particularly important to understand the limits of these materials. In this work, we report the growth of large ( 5 millimeter size) single crystal FAPbI3 using a novel liquid based crystallization method. The single crystal FAPbI3 demonstrated a δ-phase to α-phase transition with a color change from yellow to black when heated to 185°C within approximately two minutes. The crystal structures of the two phases were identified and the PL emission peak of the α-phase FAPbI3 (820 nm) shows clear red-shift compared to the FAPbI3 thin film (805 nm). The FAPbI3 single crystal shows a long carrier lifetime of 484 ns, a high carrier mobility of 4.4 cm2·V-1·s-1, and even more interestingly a conductivity of 1.1 × 10-7(ohm·cm)-1, which is approximately one order of magnitude higher than that of the MAPbI3 single crystal. Finally, high performance photoconductivity type photodetectors were successfully demonstrated using the single crystal FAPbI3.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-11-25

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

  17. Photoluminescence properties of boron doped InSe single crystals

    International Nuclear Information System (INIS)

    Ertap, H.; Bacıoğlu, A.; Karabulut, M.

    2015-01-01

    Undoped and boron doped InSe single crystals were grown by Bridgman–Stockbarger technique. The PL properties of undoped, 0.1% and 0.5% boron doped InSe single crystals have been investigated at different temperatures. PL measurements revealed four emission bands labeled as A, B, C and D in all the single crystals studied. These emission bands were associated with the radiative recombination of direct free excitons (n=1), impurity-band transitions, donor–acceptor recombinations and structural defect related band (impurity atoms, defects, defect complexes, impurity-vacancy complex etc.), respectively. The direct free exciton (A) bands of undoped, 0.1% and 0.5% boron doped InSe single crystals were observed at 1.337 eV, 1.335 eV and 1.330 eV in the PL spectra measured at 12 K, respectively. Energy positions and PL intensities of the emission bands varied with boron addition. The FWHM of direct free exciton band increases while the FWHM of the D emission band decreases with boron doping. Band gap energies of undoped and boron doped InSe single crystals were calculated from the PL measurements. It was found that the band gap energies of InSe single crystals decreased with increasing boron content. - Highlights: • PL spectra of InSe crystals have been studied as a function of temperature. • Four emission bands were observed in the PL spectra at low temperatures. • PL intensity and position of free exciton band vary with doping and temperature. • Temperature dependences of the bands observed in the PL spectra were analyzed

  18. Crystal growth and characterization of a semiorganic nonlinear optical single crystal of gamma glycine

    International Nuclear Information System (INIS)

    Prakash, J. Thomas Joseph; Kumararaman, S.

    2008-01-01

    Gamma glycine has been successfully synthesized by taking glycine and potassium chloride and single crystals have been grown by solvent evaporation method for the first time. The grown single crystals have been analyzed with XRD, Fourier transform infrared (FTIR), and thermo gravimetric and differential thermal analyses (TG/DTA) measurements. Its mechanical behavior has been assessed by Vickers microhardness measurements. Its nonlinear optical property has been tested by Kurtz powder technique. Its optical behavior was examined by UV-vis., and found that the crystal is transparent in the region between 240 and 1200 nm. Hence, it may be very much useful for the second harmonic generation (SHG) applications

  19. Microscopic single-crystal refractometry as a function of wavelength

    International Nuclear Information System (INIS)

    DeLoach, L.D.

    1994-01-01

    The refractive indices of crystal fragments 50--200 μm in size can be measured for light wavelengths between 365 and 1100 nm with a spindle-stage refractometer. Established methods from optical crystallograpy are used to orient a crystal on the microscope spindle stage and then to match its refractive index to an immersion fluid. The refractive index of the fluid for the wavelength of light and matching temperature is determined by comparison of a reference crystal on a second spindle axis with the fluid under the match conditions. Investigations of new nonlinear-optical crystals admirably demonstrate the advantages of measuring the refractive index to ± 0.0004 in small single crystals

  20. Single-Organ Gallbladder Vasculitis

    Science.gov (United States)

    Hernández-Rodríguez, José; Tan, Carmela D.; Rodríguez, E. René; Hoffman, Gary S.

    2014-01-01

    Abstract Systemic vasculitis (SV) involving abdominal structures usually has a poor prognosis. Gallbladder vasculitis (GV) has been reported as part of SV (GB-SV) and focal single-organ vasculitis (GB-SOV). We analyzed clinical and histologic characteristics of patients with GV to identify features that differentiate GB-SOV from the systemic forms of GV. To identify affected patients with GV we used pathology databases from our institution and an English-language PubMed search. Clinical manifestations, laboratory and histologic features, treatment administered, and outcomes were recorded. Patients were divided in 2 groups, GB-SOV and GB-SV. As in previous studies of single-organ vasculitis, GB-SOV was only considered to be a sustainable diagnosis if disease beyond the gallbladder was not apparent after a follow-up period of at least 6 months. Sixty-one well-characterized patients with GV were included (6 from our institution). There was no significant sex bias (32 female patients, 29 male). Median age was 52 years (range, 18–94 yr). GB-SOV was found in 20 (33%) and GB-SV in 41 (67%) patients. No differences were observed in age, sex frequency, or duration of gallbladder symptoms between groups. Past episodes of recurrent right-upper quadrant or abdominal pain and lithiasic cholecystitis were more frequent in GB-SOV patients, whereas acalculous cholecystitis occurred more often in GB-SV. In GB-SV, gallbladder-related symptoms occurred more often concomitantly with or after the systemic features, but they sometimes appeared before SV was fully developed (13.5%). Constitutional and musculoskeletal symptoms were reported only in GB-SV patients. Compared to GB-SOV, GB-SV patients presented more often with fever (62.5% vs 20%; p = 0.003) and exhibited higher erythrocyte sedimentation rate levels (80 ± 28 vs 37 ± 25 mm/h, respectively; p = 0.006). All GB-SV patients required glucocorticoids and 50% of them also received cytotoxic agents. Mortality in

  1. Single-crystal charge transfer interfaces for efficient photonic devices (Conference Presentation)

    Science.gov (United States)

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

    2016-09-01

    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.

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

    International Nuclear Information System (INIS)

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

    2008-01-01

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

  3. Highly reproducible alkali metal doping system for organic crystals through enhanced diffusion of alkali metal by secondary thermal activation.

    Science.gov (United States)

    Lee, Jinho; Park, Chibeom; Song, Intek; Koo, Jin Young; Yoon, Taekyung; Kim, Jun Sung; Choi, Hee Cheul

    2018-05-16

    In this paper, we report an efficient alkali metal doping system for organic single crystals. Our system employs an enhanced diffusion method for the introduction of alkali metal into organic single crystals by controlling the sample temperature to induce secondary thermal activation. Using this system, we achieved intercalation of potassium into picene single crystals with closed packed crystal structures. Using optical microscopy and Raman spectroscopy, we confirmed that the resulting samples were uniformly doped and became K 2 picene single crystal, while only parts of the crystal are doped and transformed into K 2 picene without secondary thermal activation. Moreover, using a customized electrical measurement system, the insulator-to-semiconductor transition of picene single crystals upon doping was confirmed by in situ electrical conductivity and ex situ temperature-dependent resistivity measurements. X-ray diffraction studies showed that potassium atoms were intercalated between molecular layers of picene, and doped samples did not show any KH- nor KOH-related peaks, indicating that picene molecules are retained without structural decomposition. During recent decades, tremendous efforts have been exerted to develop high-performance organic semiconductors and superconductors, whereas as little attention has been devoted to doped organic crystals. Our method will enable efficient alkali metal doping of organic crystals and will be a resource for future systematic studies on the electrical property changes of these organic crystals upon doping.

  4. Photon emission by electrons and positrons traversing thin single crystal

    International Nuclear Information System (INIS)

    Ol'chak, A.S.

    1984-01-01

    Radiation emission by planar channeled particles (electrons, positrons) in a thin single crystal of thickness L is considered. It is shown that for L approximately πb/THETAsub(L) (b is the lattice constant, THETA sub(L) the Lindhard angle) besides the main spontaneous channeling maxima there exist auxiliary interference maxima, the positions of all the maxima depending on L. The dependence of the radiation spectral intensity on crystal thickness is discussed

  5. The Taylor relation in compression deformed Ge single crystals

    International Nuclear Information System (INIS)

    Nyilas, K; Ungar, T; Dupas, C; Martin, J L; Kruml, T

    2010-01-01

    Ge single crystals are deformed in compression at 850K and the same strain rate to various extents of strains. In each sample, the internal stress is measured through stress reduction tests and the dislocation densities by X-ray measurements. Data about these two parameters follow fairly well the Taylor-Saada relation, provided a correction term is added. It probably corresponds to dislocations which are seen by X-rays, though they do not contribute to crystal hardening.

  6. Characteristics of trapped electrons and electron traps in single crystals

    International Nuclear Information System (INIS)

    Budzinski, E.E.; Potter, W.R.; Potienko, G.; Box, H.C.

    1979-01-01

    Two additional carbohydrates are reported whose crystal structures trap electrons intermolecularly in single crystals x irradiated at low temperature, namely sucrose and rhamnose. Five carbohydrate and polyhydroxy compounds are now known which exhibit this phenomenon. The following characteristics of the phenomenon were investigated: (1) the hyperfine couplings of the electron with protons of the polarized hydroxy groups forming the trap; (2) the distances between these protons and the trapped electron; (3) the spin density of the electron at the protons and (4) the relative stabilities of the electron trapped in various crystal structures

  7. Parasitic neutron bragg reflections from large imperfect single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Naguib, K.; Adib, M

    1998-12-01

    A formula is given which allows to calculate the contribution of the total Bragg scattering from different (hkl) planes to the neutron transmission through a large imperfect single crystals. The formula takes into account the crystal structure type, its mosaic spread value, the plane along which the crystal surface is cut along and its orientation with respect to the neutron beam direction. A computer program ISCANF-1 was developed to calculate the total parasitic scattering cross-section from different (hkl) planes as well as the nuclear and diffuse scattering cross-sections. The ISCANF-1 program was applied to calculate the neutron attenuation through Cu and Zn single crystals, each of them cut along (002) planes. The calculated values of the neutron transmission through Cu and Zn crystals were compared with the measured ones in the wavelength range 0.21-0.47 nm and 0.04-0.52 nm respectively. The measured and calculated values were found to be in reasonable agreement within the statistical accuracy. The computer program ISCANF-1 was also applied to investigate the effect of parasitic Bragg scattering on the neutron filtering characteristics of both Zn and Cu single crystals as a function of their physical parameters.

  8. Parasitic neutron bragg reflections from large imperfect single crystals

    International Nuclear Information System (INIS)

    Naguib, K.; Adib, M.

    1998-01-01

    A formula is given which allows to calculate the contribution of the total Bragg scattering from different (hkl) planes to the neutron transmission through a large imperfect single crystals. The formula takes into account the crystal structure type, its mosaic spread value, the plane along which the crystal surface is cut along and its orientation with respect to the neutron beam direction. A computer program ISCANF-1 was developed to calculate the total parasitic scattering cross-section from different (hkl) planes as well as the nuclear and diffuse scattering cross-sections. The ISCANF-1 program was applied to calculate the neutron attenuation through Cu and Zn single crystals, each of them cut along (002) planes. The calculated values of the neutron transmission through Cu and Zn crystals were compared with the measured ones in the wavelength range 0.21-0.47 nm and 0.04-0.52 nm respectively. The measured and calculated values were found to be in reasonable agreement within the statistical accuracy. The computer program ISCANF-1 was also applied to investigate the effect of parasitic Bragg scattering on the neutron filtering characteristics of both Zn and Cu single crystals as a function of their physical parameters

  9. Neutron transmission measurements of zinc and lead single crystals

    International Nuclear Information System (INIS)

    Adib, M.; Abdel-Kawy, A.

    1988-01-01

    Neutron transmission measurements of zinc and lead single crystals have been carried out in a neutron wavelength band from 0.03 to 0.55 nm at different orientations of the crystal with regard to the beam direction. The measurements were performed using both time-of-flight and fixed-angle scattering spectrometers installed in front of the ET-RR-1 reactor horizontal channels. It was found that the position of the observed dips in the neutron transmission measurements corresponded to the reflections from the (h k l) planes of the hexagonal zinc single crystal which was cut along the (0 0 2) plane, while in the case of lead, the single crystal was cut perpendicular to the (3 1 1) plane. The reflectivity from the (0 0 2) plane of zinc was determined using both transmission and reflection methods. The maximum reflectivity was found to be 55% when the zinc crystal was orientated at 45 0 to the beam direction. The wavelength spread of the observed reflectivity curve was found to be in agreement with the calculated one, taking into consideration the spectrometer's resolution and the crystal mosaic spread. (author)

  10. Single Crystal Synthesis and STM Studies of High Temperature Superconductors

    Science.gov (United States)

    Barrientos, Alfonso

    1997-01-01

    This is a final report for the work initiated in September of 1994 under the grant NAG8-1085 - NASA/OMU, on the fabrication of bulk and single crystal synthesis, specific heat measuring and STM studies of high temperature superconductors. Efforts were made to fabricate bulk and single crystals of mercury based superconducting material. A systematic thermal analysis on the precursors for the corresponding oxides and carbonates were carried out to synthesized bulk samples. Bulk material was used as seed in an attempt to grow single crystals by a two-step self flux process. On the other hand bulk samples were characterized by x-ray diffraction, electrical resistivity and magnetic susceptibility, We studied the specific heat behavior in the range from 80 to 300 K. Some preliminary attempts were made to study the atomic morphology of our samples. As part of our efforts we built an ac susceptibility apparatus for measuring the transition temperature of our sintered samples.

  11. Mechanical properties of hydroxyapatite single crystals from nanoindentation data

    Science.gov (United States)

    Zamiri, A.; De, S.

    2011-01-01

    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

  12. High Field Magnetization of Tb Single Crystals

    DEFF Research Database (Denmark)

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

    1975-01-01

    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...... 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....

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

    Energy Technology Data Exchange (ETDEWEB)

    Mohan, M. Krishna, E-mail: krishnamohan.m@ktr.srmuniv.ac.in; Ponnusamy, S.; Muthamizhchelvan, C.

    2017-07-01

    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.

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

    KAUST Repository

    Bakr, Osman; Shi, Dong

    2016-01-01

    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

  15. Welding and joining of single crystals of BCC refractory metals

    International Nuclear Information System (INIS)

    Hiraoka, Yutaka; Fujii, Tadayuki

    1989-01-01

    Welding and joining is one of key technologies for the wider utilizations of a material. In the present work, the applicability of welding and joining for a single crystal of BCC refractory metal was investigated. Electron-beam welding and tungsten-inert-gas welding by a melt-run technique, and high-temperature brazing by using brazing metals such as Mo-40%Ru alloy, vanadium or platinum were conducted for molybdenum single crystal which had been prepared by means of secondary recrystallization. 12 refs.,12 figs., 2 tabs. (Author)

  16. Cryogenic motion performances of a piezoelectric single crystal micromotor

    Science.gov (United States)

    Li, Xiaotian; Wu, Yuting; Chen, Zhijiang; Wei, Xiaoyong; Luo, Haosu; Dong, Shuxiang

    2014-04-01

    This study investigates the cryogenic performances of a millimeter-size piezoelectric ultrasonic linear micromotor. The piezoelectric vibrator of the micromotor is made of Pb(In1/2Nb1/2)O3 -Pb(Mg1/3Nb2/3)-PbTiO3 single crystal and operated in first-bending wobbling mode. Experiments show that the piezoelectric single crystal micromotor works effectively even at extremely low temperature of -175 °C, although its resonance peaks vary with temperature significantly. This work confirms the feasibility of cryogenic operation of the piezo-micromotor, which is meaningful for aerospace or superconducting microwave application.

  17. Regularities of recrystallization in rolled Zr single crystals

    International Nuclear Information System (INIS)

    Isaenkova, M; Perlovich, Yu; Fesenko, V; Krymskaya, O; Krapivka, N; Thu, S S

    2015-01-01

    Experiments by rolled single crystals give a more visible conception of the operating mechanisms of plastic deformation and the following recrystallization, than experiments by polycrystals. Studies by usage of X-ray diffraction methods were conducted by Zr single crystals. It was revealed, that regions of the α-Zr matrix, deformed mainly by twinning, are characterized with decreased tendency to recrystallization. Orientations of recrystallized α-Zr grains correspond to “slopes” of maxima in the rolling texture, where the level of crystalline lattice distortion is maximal and the number of recrystallization nuclei is most of all. (paper)

  18. Preparation of single-crystal copper ferrite nanorods and nanodisks

    International Nuclear Information System (INIS)

    Du Jimin; Liu Zhimin; Wu Weize; Li Zhonghao; Han Buxing; Huang Ying

    2005-01-01

    This article, for the first time, reports the preparation of single-crystal copper ferrite nanorods and nanodisks. Using amorphous copper ferrite nanoparticles synthesized by reverse micelle as reaction precursor, single-crystal copper ferrite nanorods were synthesized via hydrothermal method in the presence of surfactant polyethylene glycol (PEG), however, copper ferrite nanodisks were prepared through the same procedures except the surfactant PEG. The resulting nanomaterials have been characterized by powder X-ray diffraction (XRD), selected electron area diffraction (SEAD), and transmission electron microscopy (TEM). The bulk composition of the samples was determined by means of X-ray photoelectron spectroscopy (XPS)

  19. Laser induced single-crystal transition in polycrystalline silicon

    International Nuclear Information System (INIS)

    Vitali, G.; Bertolotti, M.; Foti, G.; Rimini, E.

    1978-01-01

    Transition to single crystal of polycrystalline Si material underlying a Si crystal substrate of 100 orientation was obtained via laser irradiation. The changes in the structure were analyzed by reflection high energy electron diffraction and by channeling effect technique using 2.0 MeV He Rutherford scattering. The power density required to induce the transition in a 4500 A thick polycrystalline layer is about 70 MW/cm 2 (50ns). The corresponding amorphous to single transition has a threshold of about 45 MW/cm 2 . (orig.) 891 HPOE [de

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

    Directory of Open Access Journals (Sweden)

    Amanda García-García

    2016-06-01

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

  1. Single-Cycle Terahertz Pulse Generation from OH1 Crystal via Cherenkov Phase Matching

    Science.gov (United States)

    Uchida, Hirohisa; Oota, Kengo; Okimura, Koutarou; Kawase, Kodo; Takeya, Kei

    2018-06-01

    OH1 crystal is an organic nonlinear optical crystal with a large nonlinear optical constant. However, it has dispersion of refractive indices in the terahertz (THz) frequency. This limits the frequencies that satisfy the phase matching conditions for THz wave generation. In this study, we addressed the phase matching conditions for THz wave generation by combining an OH1 crystal with prism-coupled Cherenkov phase matching. We observed the generation of single-cycle THz pulses with a spectrum covering a frequency range of 3 THz. These results prove that combining prism-coupled Cherenkov phase matching with nonlinear optical crystals yields a THz wave generation method that is insusceptible to crystal dispersion.

  2. Stacking fault tetrahedron induced plasticity in copper single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Liang, E-mail: lz592@uowmail.edu.au [School of Mechanical, Materials and Mechatronic Engineering, University of Wollongong, Wollongong, NSW 2522 (Australia); Lu, Cheng, E-mail: chenglu@uow.edu.au [School of Mechanical, Materials and Mechatronic Engineering, University of Wollongong, Wollongong, NSW 2522 (Australia); Tieu, Kiet; Su, Lihong; Zhao, Xing [School of Mechanical, Materials and Mechatronic Engineering, University of Wollongong, Wollongong, NSW 2522 (Australia); Pei, Linqing [Department of Mechanical Engineering, Chongqing University, Chongqing 400044 (China)

    2017-01-05

    Stacking fault tetrahedron (SFT) is the most common type of vacancy clustered defects in fcc metals and alloys, and can play an important role in the mechanical properties of metallic materials. In this study, molecular dynamics (MD) simulations were carried out to investigate the incipience of plasticity and the underlying atomic mechanisms in copper single crystals with SFT. Different deformation mechanisms of SFT were reported due to the crystal orientations and loading directions (compression and tension). The results showed that the incipient plasticity in crystals with SFT resulted from the heterogeneous dislocation nucleation from SFT, so the stress required for plastic deformation was less than that needed for perfect single crystals. Three crystal orientations ([1 0 0], [1 1 0] and [1 1 1]) were specified in this study because they can represent most of the typical deformation mechanisms of SFT. MD simulations revealed that the structural transformation of SFT was frequent under the applied loading; a metastable SFT structure and the collapse of SFT were usually observed. The structural transformation resulted in a different reduction of yield stress in compression and tension, and also caused a decreased or reversed compression/tension asymmetry. Compressive stress can result in the unfaulting of Frank loop in some crystal orientations. According to the elastic theory of dislocation, the process of unfaulting was closely related to the size of the dislocation loop and the stacking fault energy.

  3. Crystal growth, spectral and laser properties of Nd:LSAT single crystal

    Science.gov (United States)

    Hu, P. C.; Yin, J. G.; Zhao, C. C.; Gong, J.; He, X. M.; Zhang, L. H.; Liang, X. Y.; Hang, Y.

    2011-10-01

    Nd:(La, Sr)(Al, Ta)O3 (Nd:LSAT) crystal was grown by the Czochralski method. The absorption and fluorescence spectra of Nd:LSAT crystal at room temperature were investigated. With a fiber-coupled diode laser as pump source, the continuous-wave (CW) laser action of Nd:LSAT crystal was demonstrated. The result of diode-pumped laser operation of Nd:LSAT crystal single crystal is reported for what is to our knowledge the first time. The maximum output power at 1064 nm was obtained to be 165 mW under the incident pump power of 3 W, with the slope efficiency 10.9%.

  4. Induced defects in neutron irradiated GaN single crystals

    International Nuclear Information System (INIS)

    Park, I. W.; Koh, E. K.; Kim, Y. M.; Choh, S. H.; Park, S. S.; Kim, B. G.; Sohn, J. M.

    2005-01-01

    The local structure of defects in undoped, Si-doped, and neutron irradiated free standing GaN bulk crystals, grown by hydride vapor phase epitaxy, has been investigated by employing Raman scattering and cathodoluminescence. The GaN samples were irradiated to a dose of 2 x 10 17 neutrons in an atomic reactor at Korea Atomic Energy Research Institute. There was no appreciable change in the Raman spectra for undoped GaN samples before and after neutron irradiation. However, a forbidden transition, A 1 (TO) mode, appeared for a neutron irradiated Si-doped GaN crystal. Cathodoluminescence spectrum for the neutron irradiated Si-doped GaN crystal became much more broadened than that for the unirradiated one. The experimental results reveal the generation of defects with locally deformed structure in the wurtzite Si-doped GaN single crystal

  5. Electronic transport properties of single crystal thallium-2201 superconductors

    International Nuclear Information System (INIS)

    Yandrofski, R.M.

    1992-01-01

    Four-probe resistance measurements on single crystals of the calcium-free thallium-based superconducting Tl 2 Ba 2 CuO 6+σ phase (Tl-2201) were performed in magnetic fields up to 12 Telsa. Single crystals of sizes were grown by a self-flux technique and were characterized by single crystal X-ray diffraction and X-ray Dispersive Analysis. Field measurements were taken at dc and at low frequencies using a lock-in technique. Techniques were developed to oxygen-anneal the as-grown single crystals to generate single crystal samples of the same Tl-2201 phase with varying transition interaction effect against appropriate composite general alternatives are developed for the standard two-way layout with a single observation per cell. Nonparametric aligned-rank test procedures are introduced. One of the new procedures is shown to be equivalent to a slight modification of the previously studied Latin square procedures when the factors have the same number of levels. The equal in distribution technique is used to show that any statistic based on the joint ranks should not be used to test the hypotheses of interest. The tests based on aligning with the averages do not depend on the nuisance main effects, while those based on aligning with the median do depend on the nuisance main effects. The relative power performance of the competing tests are examined via Monte Carlo simulation. Power studies conducted on the 5 x 5, 5 x 6, and 5 x 9 two-way layouts with one observation per cell show that the new procedures based on a comparison of all possible pairs of rank-profiles perform quite well for two types of product interaction, a general class of interaction effects proposed by Martin, and several sets of specific interaction effects. Approximate critical values for some of the proposed procedures are explored in the special case when the main effect parameters for one factor are known

  6. Neutron transmission of single-crystal sapphire filters

    International Nuclear Information System (INIS)

    Adib, M.; Kilany, M.; Habib, N.; Fathallah, M.

    2005-01-01

    An additive formula is given that permits the calculation of the nuclear capture, thermal diffuse and Bragg scattering cross-sections as a function of sapphire temperature and crystal parameters. We have developed a computer program that allows calculations of the thermal neutron transmission for the sapphire rhombohedral structure and its equivalent trigonal structure. The calculated total cross-section values and effective attenuation coefficient for single-crystalline sapphire at different temperatures are compared with measured values. Overall agreement is indicated between the formula fits and experimental data. We discuss the use of sapphire single crystal as a thermal neutron filter in terms of the optimum crystal thickness, mosaic spread, temperature, cutting plane and tuning for efficient transmission of thermal-reactor neutrons. (author)

  7. Single-crystal diffraction instrument TriCS at SINQ

    Science.gov (United States)

    Schefer, J.; Könnecke, M.; Murasik, A.; Czopnik, A.; Strässle, Th; Keller, P.; Schlumpf, N.

    2000-03-01

    The single-crystal diffractometer TriCS at the Swiss Continuous Spallation Source (SINQ) is presently in the commissioning phase. A two-dimensional wire detector produced by EMBL was delivered in March 1999. The instrument is presently tested with a single detector. First measurements on magnetic structures have been performed. The instrument is remotely controlled using JAVA-based software and a UNIX DEC-α host computer.

  8. Deformation twinning in zinc-aluminium single crystals after slip

    International Nuclear Information System (INIS)

    Lukac, P.; Kral, F.; Trojanova, Z.; Kral, R.

    1993-01-01

    Deformation twinning in Zn-Al single crystals deformed by slip in the basal system is examined. The influence of temperature and the content of aluminium in zinc on the twinning stress is investigated in the temperature range from 198 to 373 K. It is shown that the twinning stress rises with increasing temperature and increases with the concentration of Al atoms. (orig.)

  9. Structural science using single crystal and pulse neutron scattering

    International Nuclear Information System (INIS)

    Noda, Yukio; Kimura, Hiroyuki; Watanabe, Masashi; Ishikawa, Yoshihisa; Tamura, Itaru; Arai, Masatoshi; Takahashi, Miwako; Ohshima, Ken-ichi; Abe, Hiroshi; Kamiyama, Takashi

    2008-01-01

    The application to single crystal neutron structural analysis is overviewed. Special attention is paid to the pulse neutron method, which will be available soon under J-PARC project in Japan. New proposal and preliminary experiment using Sirius at KENS are described. (author)

  10. Annealing behavior of solution grown polyethylene single crystals

    NARCIS (Netherlands)

    Loos, J.; Tian, M.

    2006-01-01

    The morphology evolution of solution grown polyethylene single crystals has been studied upon annealing below their melting temperature by using atomic force microscopy (AFM). AFM investigations have been performed ex situ, which means AFM investigations at room temperature after the annealing

  11. Corelli: Efficient single crystal diffraction with elastic discrimination

    Indian Academy of Sciences (India)

    Here, we discuss the potential of the cross-correlation technique for efficient measurement of single crystal diffuse scattering with energy discrimination, 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, ...

  12. Magnetic structure of URhSi single crystal

    Czech Academy of Sciences Publication Activity Database

    Prokeš, K.; Andreev, Alexander V.; Honda, F.; Sechovský, V.

    2003-01-01

    Roč. 261, - (2003), s. 131-138 ISSN 0304-8853 R&D Projects: GA ČR GA202/02/0739 Institutional research plan: CEZ:AV0Z1010914 Keywords : URhSi single crystal * magnetization * neutron diffraction * magnetic structure determination Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.910, year: 2003

  13. Bulk study of a DyNiAl single crystal

    Czech Academy of Sciences Publication Activity Database

    Prchal, J.; Andreev, Alexander V.; Javorský, P.; Honda, F.; Jurek, Karel

    272-276, - (2004), e419-e420 ISSN 0304-8853 R&D Projects: GA ČR GA106/02/0943 Keywords : rare-earth * DyNiAl * magnetic anisotropy * single crystal Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.031, year: 2004

  14. Lattice effects in HoVo(3) single crystal

    NARCIS (Netherlands)

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

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

  15. Synthesis and room temperature single crystal EPR studies of a ...

    Indian Academy of Sciences (India)

    Unknown

    Hamiltonian parameters calculated from single crystal rotations are: g ... studies on two nickel complexes with SalX ligands (X = NH, NCH3) have shown the ..... here the positive sign is required for a shell that is less than half-filled and the ...

  16. Chromium and molybdenum diffusion in tungsten single crystals

    International Nuclear Information System (INIS)

    Klotsman, S.M.; Koloskov, V.M.; Osetrov, S.V.; Polikarpova, I.P.; Tatarinova, G.N.; Timofeev, A.N.

    1989-01-01

    Consideration is given to results of measuring temperature dependences of diffusion coefficients of homovalent impurities of chromium and molybdenum in tungsten single crystals. It is concluded that the difference of activation energies of selfdiffusion and impurity diffusion in the system 'tungsten-homovalent impurity' is conditioned by interaction of screened potentials of impurity and vacancy with Lazarus-Le Claire model

  17. Dynamic Actuation of Single-Crystal Diamond Nanobeams

    OpenAIRE

    Sohn, Young-Ik; Burek, Michael J.; Kara, Vural; Kearns, Ryan; Lončar, Marko

    2014-01-01

    We show the dielectrophoretic actuation of single-crystal diamond nanomechanical devices. Gradient radio-frequency electromagnetic forces are used to achieve actuation of both cantilever and doubly clamped beam structures, with operation frequencies ranging from a few MHz to ~50MHz. Frequency tuning and parametric actuation are also studied.

  18. High definition TV projection via single crystal faceplate technology

    Science.gov (United States)

    Kindl, H. J.; St. John, Thomas

    1993-03-01

    Single crystal phosphor faceplates are epitaxial phosphors grown on crystalline substrates with the advantages of high light output, resolution, and extended operational life. Single crystal phosphor faceplate industrial technology in the United States is capable of providing a faceplate appropriate to the projection industry of up to four (4) inches in diameter. Projection systems incorporating cathode ray tubes utilizing single crystal phosphor faceplates will produce 1500 lumens of white light with 1000 lines of resolution, non-interlaced. This 1500 lumen projection system will meet all of the currently specified luminance and resolution requirements of Visual Display systems for flight simulators. Significant logistic advantages accrue from the introduction of single crystal phosphor faceplate CRT's. Specifically, the full performance life of a CRT is expected to increase by a factor of five (5); ie, from 2000 to 10,000 hours of operation. There will be attendant reductions in maintenance time, spare CRT requirements, system down time, etc. The increased brightness of the projection system will allow use of lower gain, lower cost simulator screen material. Further, picture performance characteristics will be more balanced across the full simulator.

  19. Lattice location of helium in uranium dioxide single crystals

    Energy Technology Data Exchange (ETDEWEB)

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

    2004-06-01

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

  20. Multiscale modelling of single crystal superalloys for gas turbine blades

    NARCIS (Netherlands)

    Tinga, T.

    2009-01-01

    Gas turbines are extensively used for power generation and for the propulsion of aircraft and vessels. Their most severely loaded parts, the turbine rotor blades, are manufactured from single crystal nickel-base superalloys. The superior high temperature behaviour of these materials is attributed to

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

    NARCIS (Netherlands)

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

    2003-01-01

    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

  2. Double minimum creep of single crystal Ni-base superalloys

    Czech Academy of Sciences Publication Activity Database

    WU, X.; Wollgramm, P.; Somsen, C.; Dlouhý, Antonín; Kostka, A.; Eggeler, G.

    2016-01-01

    Roč. 112, JUN (2016), s. 242-260 ISSN 1359-6454 R&D Projects: GA ČR(CZ) GA14-22834S Institutional support: RVO:68081723 Keywords : Single crystal Ni-base superalloys * Primary creep * Transmission electron microscopy * Dislocations * Stacking faults Subject RIV: JG - Metallurgy Impact factor: 5.301, year: 2016

  3. 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 ... acid single crystals in the range of 300–400 K. This study evaluated all the elastic stiff- .... tic constants C11, C22, C33, C44, C55 and C66 have direct rela-.

  4. METHOD FOR MANUFACTURING A SINGLE CRYSTAL NANO-WIRE

    NARCIS (Netherlands)

    Van Den Berg, Albert; Bomer, Johan; Carlen Edwin, Thomas; Chen, Songyue; Kraaijenhagen Roderik, Adriaan; Pinedo Herbert, Michael

    2012-01-01

    A method for manufacturing a single crystal nano-structure includes providing a device layer with a 100 structure on a substrate; providing a stress layer onto the device layer; patterning the stress layer along the 110 direction of the device layer; selectively removing parts of the stress layer to

  5. METHOD FOR MANUFACTURING A SINGLE CRYSTAL NANO-WIRE.

    NARCIS (Netherlands)

    Van Den Berg, Albert; Bomer, Johan; Carlen Edwin, Thomas; Chen, Songyue; Kraaijenhagen Roderik, Adriaan; Pinedo Herbert, Michael

    2011-01-01

    A method for manufacturing a single crystal nano-structure is provided comprising the steps of providing a device layer with a 100 structure on a substrate; providing a stress layer onto the device layer; patterning the stress layer along the 110 direction of the device layer; selectively removing

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

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Aibin, E-mail: abzhu@mail.xjtu.edu.cn; He, Dayong; Luo, Wencheng; Liu, Yangyang

    2016-11-15

    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.

  7. Prediction and theoretical characterization of p-type organic semiconductor crystals for field-effect transistor applications.

    Science.gov (United States)

    Atahan-Evrenk, Sule; Aspuru-Guzik, Alán

    2014-01-01

    The theoretical prediction and characterization of the solid-state structure of organic semiconductors has tremendous potential for the discovery of new high performance materials. To date, the theoretical analysis mostly relied on the availability of crystal structures obtained through X-ray diffraction. However, the theoretical prediction of the crystal structures of organic semiconductor molecules remains a challenge. This review highlights some of the recent advances in the determination of structure-property relationships of the known organic semiconductor single-crystals and summarizes a few available studies on the prediction of the crystal structures of p-type organic semiconductors for transistor applications.

  8. Solution growth of single crystal methylammonium lead halide perovskite nanostructures for optoelectronic and photovoltaic applications.

    Science.gov (United States)

    Fu, Yongping; Meng, Fei; Rowley, Matthew B; Thompson, Blaise J; Shearer, Melinda J; Ma, Dewei; Hamers, Robert J; Wright, John C; Jin, Song

    2015-05-06

    Understanding crystal growth and improving material quality is important for improving semiconductors for electronic, optoelectronic, and photovoltaic applications. Amidst the surging interest in solar cells based on hybrid organic-inorganic lead halide perovskites and the exciting progress in device performance, improved understanding and better control of the crystal growth of these perovskites could further boost their optoelectronic and photovoltaic performance. Here, we report new insights on the crystal growth of the perovskite materials, especially crystalline nanostructures. Specifically, single crystal nanowires, nanorods, and nanoplates of methylammonium lead halide perovskites (CH3NH3PbI3 and CH3NH3PbBr3) are successfully grown via a dissolution-recrystallization pathway in a solution synthesis from lead iodide (or lead acetate) films coated on substrates. These single crystal nanostructures display strong room-temperature photoluminescence and long carrier lifetime. We also report that a solid-liquid interfacial conversion reaction can create a highly crystalline, nanostructured MAPbI3 film with micrometer grain size and high surface coverage that enables photovoltaic devices with a power conversion efficiency of 10.6%. These results suggest that single-crystal perovskite nanostructures provide improved photophysical properties that are important for fundamental studies and future applications in nanoscale optoelectronic and photonic devices.

  9. Optical properties of Sulfur doped InP single crystals

    Science.gov (United States)

    El-Nahass, M. M.; Youssef, S. B.; Ali, H. A. M.

    2014-05-01

    Optical properties of InP:S single crystals were investigated using spectrophotometric measurements in the spectral range of 200-2500 nm. The absorption coefficient and refractive index were calculated. It was found that InP:S crystals exhibit allowed and forbidden direct transitions with energy gaps of 1.578 and 1.528 eV, respectively. Analysis of the refractive index in the normal dispersion region was discussed in terms of the single oscillator model. Some optical dispersion parameters namely: the dispersion energy (Ed), single oscillator energy (Eo), high frequency dielectric constant (ɛ∞), and lattice dielectric constant (ɛL) were determined. The volume and the surface energy loss functions (VELF & SELF) were estimated. Also, the real and imaginary parts of the complex conductivity were calculated.

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

    Czech Academy of Sciences Publication Activity Database

    Molnar, P.; Šittner, P.; Novák, V.; Lukáš, Petr

    2008-01-01

    Roč. 481, Sp.Iss.SI (2008), s. 513-517 ISSN 0921-5093 R&D Projects: GA AV ČR IAA100480704 Institutional research plan: CEZ:AV0Z10480505 Keywords : Cu-Al-Ni * single crystals * neutron diffraction Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 1.806, year: 2008

  11. Mechanical and optical nanodevices in single-crystal quartz

    Science.gov (United States)

    Sohn, Young-Ik; Miller, Rachel; Venkataraman, Vivek; Lončar, Marko

    2017-12-01

    Single-crystal α-quartz, one of the most widely used piezoelectric materials, has enabled a wide range of timing applications. Owing to the fact that an integrated thin-film based quartz platform is not available, most of these applications rely on macroscopic, bulk crystal-based devices. Here, we show that the Faraday cage angled-etching technique can be used to realize nanoscale electromechanical and photonic devices in quartz. Using this approach, we demonstrate quartz nanomechanical cantilevers and ring resonators featuring Qs of 4900 and 8900, respectively.

  12. Trapezoidal diffraction grating beam splitters in single crystal diamond

    Science.gov (United States)

    Kiss, Marcell; Graziosi, Teodoro; Quack, Niels

    2018-02-01

    Single Crystal Diamond has been recognized as a prime material for optical components in high power applications due to low absorption and high thermal conductivity. However, diamond microstructuring remains challenging. Here, we report on the fabrication and characterization of optical diffraction gratings exhibiting a symmetric trapezoidal profile etched into a single crystal diamond substrate. The optimized grating geometry diffracts the transmitted optical power into precisely defined proportions, performing as an effective beam splitter. We fabricate our gratings in commercially available single crystal CVD diamond plates (2.6mm x 2.6mm x 0.3mm). Using a sputter deposited hard mask and patterning by contact lithography, the diamond is etched in an inductively coupled oxygen plasma with zero platen power. The etch process effectively reveals the characteristic {111} diamond crystal planes, creating a precisely defined angled (54.7°) profile. SEM and AFM measurements of the fabricated gratings evidence the trapezoidal shape with a pitch of 3.82μm, depth of 170 nm and duty cycle of 35.5%. Optical characterization is performed in transmission using a 650nm laser source perpendicular to the sample. The recorded transmitted optical power as function of detector rotation angle shows a distribution of 21.1% in the 0th order and 23.6% in each +/-1st order (16.1% reflected, 16.6% in higher orders). To our knowledge, this is the first demonstration of diffraction gratings with trapezoidal profile in single crystal diamond. The fabrication process will enable beam splitter gratings of custom defined optical power distribution profiles, while antireflection coatings can increase the efficiency.

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

    International Nuclear Information System (INIS)

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

    2000-01-01

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

  14. The crystal structure and twinning of neodymium gallium perovskite single crystals

    International Nuclear Information System (INIS)

    Ubizskii, S.B.; Vasylechko, L.O.; Savytskii, D.I.; Matkovskii, A.O.; Syvorotka, I.M.

    1994-01-01

    By means of X-ray structure analysis, the crystal structure of neodymium gallium perovskite (NGP) single crystals (NdGaO 3 ) being used as a substrate for HTSC film epitaxy has been refined and the position of atoms has been determined. The possibility of YBa 2 Cu 3 O 7-x film epitaxy on the plane (110) of NGP crystal as well as its advantages and pitfalls are analysed from structural data. The twinning types in the NGP crystal were established. The twinning structure of NGP substrates is found to be stable up to a temperature of 1173 K, as differentiated from the LaGaO 3 and LaAlO 3 substrates. It is intimated that the twinning in the NGP substrates oriented as (001) can result in creation of 90 degrees twin bonds in a film, and in the case of (110)-oriented plates it is possible to ignore the twinning presence in substrate completely. (author)

  15. Crystal structure, growth and nonlinear optical studies of isonicotinamide p-nitrophenol: A new organic crystal for optical limiting applications

    Science.gov (United States)

    Vijayalakshmi, A.; Vidyavathy, B.; Vinitha, G.

    2016-08-01

    Isonicotinamide p-nitrophenol (ICPNP), a new organic material, was synthesized using methanol solvent. Single crystals of ICPNP were grown using a slow evaporation solution growth technique. Crystal structure of ICPNP is elucidated by single crystal X-ray diffraction analysis. It belongs to monoclinic crystal system with space group of P21/c. It forms two dimensional networks by O-H…O, N-H…O and C-H…O hydrogen bonds. The molecular structure of ICPNP was further confirmed by Fourier transform infrared (FTIR) spectral analysis. The optical transmittance range and the lower cut-off wavelength (421 nm) with the optical band gap (2.90 eV) of the ICPNP crystal were determined by UV-vis-NIR spectral study. Thermal behavior of ICPNP was studied by thermo gravimetric and differential thermal analyses (TG/DTA). The relative dielectric permittivity was calculated for various temperature ranges. Laser damage threshold of ICPNP crystal was found to be 1.9 GW/cm2 using an Nd:YAG laser. A Z-scan technique was employed to measure the nonlinear absorption coefficient, nonlinear refractive index and nonlinear optical susceptibility. Optical limiting behavior of ICPNP was observed at 35 mW input power.

  16. Mesoporous zeolite and zeotype single crystals synthesized in fluoride media

    DEFF Research Database (Denmark)

    Egeblad, Kresten; Kustova, Marina; Klitgaard, Søren Kegnæs

    2007-01-01

    We report the synthesis and characterization of a series of new mesoporous zeolite and zeotype materials made available by combining new and improved procedures for directly introducing carbon into reaction mixtures with the fluoride route for conventional zeolite synthesis. The mesoporous...... materials were all prepared by hydrothermal crystallization of gels adsorbed on carbon matrices which were subsequently removed by combustion. The procedures presented here resulted in mesoporous zeolite and zeotypes materials with MFI, MEL, BEA, AFI and CHA framework structures. All samples were...... characterized by XRPD, SEM, TEM and N-2 physisorption measurements. For the zeolite materials it A as found that mesoporous MFI and MEL structured single crystals could indeed be crystallized from fluoride media using an improved carbon-templating approach. More importantly, it was found that mesoporous BEA...

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

    International Nuclear Information System (INIS)

    Yao, Shuhua; Chen, Yanfeng

    2010-01-01

    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 ΔX and ΔY 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 {01 anti 1 anti 2} m planes is the composition face of the twin and matrix crystals. The formation mechanism of these twins is discussed. (orig.)

  18. Neutron transmission and reflection at a copper single crystal

    International Nuclear Information System (INIS)

    Adib, M.; Maayouf, R.M.A.; Abdel-Kawy, A.; Fayek, M.; Habib, N.; Wahba, M.

    1991-01-01

    Neutron transmission and reflection at a copper single crystal cut along the (111) plane were studied with the fixed-scattering-angle spectrometer installed at the ET-RR-1 reactor. The transmission was measured for neutron wavelengths between 0.15 and 0.46 nm and various orientations of the (111) plane with respect to the incident beam. When used as a neutron band pass filter, the crystal is optimally oriented when the neutron beam is incident parallel to the [111] direction. The reflectivity was measured for the (111) plane at 45deg with respect to the incident beam. The results were found to be in reasonable agreement with a value predicted for the reflected intensity at an imperfect crystal with finite absorption. (orig.) [de

  19. Neutron transmission and reflection at a copper single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Adib, M.; Maayouf, R.M.A.; Abdel-Kawy, A.; Fayek, M.; Habib, N. (Atomic Energy Establishment, Cairo (Egypt). Reactor and Neutron Physics Dept.); Wahba, M. (Ain Shams Univ., Cairo (Egypt). Dept. of Engineering Physics and Mathematics)

    1991-06-01

    Neutron transmission and reflection at a copper single crystal cut along the (111) plane were studied with the fixed-scattering-angle spectrometer installed at the ET-RR-1 reactor. The transmission was measured for neutron wavelengths between 0.15 and 0.46 nm and various orientations of the (111) plane with respect to the incident beam. When used as a neutron band pass filter, the crystal is optimally oriented when the neutron beam is incident parallel to the (111) direction. The reflectivity was measured for the (111) plane at 45deg with respect to the incident beam. The results were found to be in reasonable agreement with a value predicted for the reflected intensity at an imperfect crystal with finite absorption. (orig.).

  20. Neutron transmission of single-crystal sapphire filters

    International Nuclear Information System (INIS)

    Adib, M.; Kilany, M.; Habib, N.; Fathallah, M.

    2004-01-01

    A simple additive formula is given that permits the calculation of the nuclear capture, thermal diffuse and Bragg scattering cross-sections as a function of sapphire temperature and crystal parameters. We have developed a computer program that allows calculations of the thermal neutron transmission for the sapphire rhombohedral structure and its equivalent trigonal structure. The calculated total cross-section values and effective attenuation coefficient for mono-crystalline sapphire at different temperatures are compared with measured values. Overall agreement is indicated between the formula fits and experimental data. We discuss the use of sapphire single-crystal as a thermal neutron filter in terms of the optimum crystal thickness, mosaic spread, temperature, cutting plane and tuning for efficient transmission of thermal-reactor neutrons

  1. Effect of Crystal Orientation on Fatigue Failure of Single Crystal Nickel Base Turbine Blade Superalloys

    Science.gov (United States)

    Arakere, Nagaraj K.; Swanson, Gregory R.

    2000-01-01

    High Cycle Fatigue (HCF) induced failures in aircraft gas-turbine engines is a pervasive problem affecting a wide range of components and materials. HCF is currently the primary cause of component failures in gas turbine aircraft engines. Turbine blades in high performance aircraft and rocket engines are increasingly being made of single crystal nickel superalloys. Single-crystal Nickel-base superalloys were developed to provide superior creep, stress rupture, melt resistance and thermomechanical fatigue capabilities over polycrystalline alloys previously used in the production of turbine blades and vanes. Currently the most widely used single crystal turbine blade superalloys are PWA 1480/1493 and PWA 1484. These alloys play an important role in commercial, military and space propulsion systems. PWA1493, identical to PWA1480, but with tighter chemical constituent control, is used in the NASA SSME (Space Shuttle Main Engine) alternate turbopump, a liquid hydrogen fueled rocket engine. Objectives for this paper are motivated by the need for developing failure criteria and fatigue life evaluation procedures for high temperature single crystal components, using available fatigue data and finite element modeling of turbine blades. Using the FE (finite element) stress analysis results and the fatigue life relations developed, the effect of variation of primary and secondary crystal orientations on life is determined, at critical blade locations. The most advantageous crystal orientation for a given blade design is determined. Results presented demonstrates that control of secondary and primary crystallographic orientation has the potential to optimize blade design by increasing its resistance to fatigue crack growth without adding additional weight or cost.

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

    KAUST Repository

    Saidaminov, Makhsud I.; Abdelhady, Ahmed L.; Banavoth, Murali; Alarousu, Erkki; Burlakov, Victor M.; Peng, Wei; Dursun, Ibrahim; Wang, Lingfei; He, Yao; Maculan, Giacomo; Goriely, Alain; Wu, Tao; Mohammed, Omar F.; Bakr, Osman

    2015-01-01

    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

  3. X-ray scattering from surfaces of organic crystals

    DEFF Research Database (Denmark)

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

    1997-01-01

    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...

  4. Twisted intra-molecular charge transfer investigations of semiorganic triglycine phosphate single crystal for non linear optical applications

    Science.gov (United States)

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

    2017-09-01

    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.

  5. Frictional properties of single crystals HMX, RDX and PETN explosives

    International Nuclear Information System (INIS)

    Wu, Y.Q.; Huang, F.L.

    2010-01-01

    The frictional properties of single crystals of cyclotetramethylene tetranitramine (HMX), cyclotrimethylene trinitramine (RDX) and pentaerythritol tetranitrate (PETN) secondary explosives are examined using a sensitive friction machine. The explosive crystals used for the measurements are at least 3.5 mm wide. The friction coefficients between crystals of the same explosive (i.e., HMX on HMX, etc.), crystals of different explosives (i.e., HMX on RDX, etc.), and each explosive and a well-polished gauge steel surface are determined. The frictional surfaces are also studied under an environmental scanning electron microscope (ESEM) to analyze surface microstructural changes under increasing loading forces. The friction coefficients vary considerably with increasing normal loading forces and are particularly sensitive to slider shapes, crystal roughness and the mechanical properties of both the slider and the sample. With increasing loading forces, most friction experiments show surface damage, consisting of grooves, debris, and nano-particles, on both the slider and sample. In some cases, a strong evidence of a localized molten state is found in the central region of the friction track. Possible mechanisms that affect the friction coefficient are discussed based on microscopic observations.

  6. 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: balacrystalgrowth@gmail.com [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)

    2017-01-15

    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

  7. Single crystal growth of yttrium calcium oxy borate (YCOB) crystals by flux technique and their characterization. CP-3.5

    International Nuclear Information System (INIS)

    Arun Kumar, R.; Senthilkumar, M.; Dhanasekaran, R.

    2007-01-01

    Yttrium calcium oxy borate single crystals were grown by the flux technique for the first time. Polycrystalline YCOB material was prepared by solid state reaction method. Single crystals of YCOB were grown using boron-tri-oxide flux. Several transparent single crystals of dimensions 10 x 5 x 5 mm 3 were obtained. The grown crystals were characterized by powder XRD and UV- VIS-NIR studies. The results of powder XRD confirm the crystalline structure of YCOB. The UV- VIS-NIR transmission spectrum reveals that the crystal is highly transparent (above 75%) from ultraviolet (220 nm) to near IR regions enabling it as a suitable candidate for high power UV applications

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

    DEFF Research Database (Denmark)

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

    2005-01-01

    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....... With this technique, only zeolites with relatively low Al contents were reported (Si/Al ratio about 100). In this work, the preparation of aluminum-rich mesoporous MFI-type zeolite single crystals (Si/Al similar to 16-50) using aluminum isopropoxide as the aluminum Source is reported for the first time. All samples...... are characterized by X-ray powder diffraction (XRD), scanning electron microscopy (SEM), ammonia temperature programmed desorption (NH3-TPD), and N-2 adsorption measurements. The obtained zeolites combine the high crystallinity and the characteristic micropores of zeolites with an intracrystalline mesopore system...

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

    Directory of Open Access Journals (Sweden)

    Tokushi Kizuka

    2012-01-01

    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.

  10. Neutron Transmission of Single-crystal Sapphire Filters

    Science.gov (United States)

    Adib, M.; Kilany, M.; Habib, N.; Fathallah, M.

    2005-05-01

    An additive formula is given that permits the calculation of the nuclear capture, thermal diffuse and Bragg scattering cross-sections as a function of sapphire temperature and crystal parameters. We have developed a computer program that allows calculations of the thermal neutron transmission for the sapphire rhombohedral structure and its equivalent trigonal structure. The calculated total cross-section values and effective attenuation coefficient for single-crystalline sapphire at different temperatures are compared with measured values. Overall agreement is indicated between the formula and experimental data. We discuss the use of sapphire single crystal as a thermal neutron filter in terms of the optimum cystal thickness, mosaic spread, temperature, cutting plane and tuning for efficient transmission of thermal-reactor neutrons.

  11. Raman analysis of gold on WSe2 single crystal film

    International Nuclear Information System (INIS)

    Mukherjee, Bablu; Sun Leong, Wei; Li, Yida; Thong, John T L; Gong, Hao; Sun, Linfeng; Xiang Shen, Ze; Simsek, Ergun

    2015-01-01

    Synthesis and characterization of high-quality single-crystal tungsten diselenide (WSe 2 ) films on a highly insulating substrate is presented. We demonstrate for the first time that the presence of gold (Au) nanoparticles in the basal plane of a WSe 2 film can enhance its Raman scattering intensity. The experimentally observed enhancement ratio in the Raman signal correlates well with the simulated electric field intensity using both three-dimensional electromagnetic software and theoretical calculation considering layered medium coupled-dipole approximation (LM-CDA). This work serves as a guideline for the use of Au nanoparticles on WSe 2 single-crystal thin films for surface enhanced Raman scattering (SERS) applications in the future. (paper)

  12. Scintillation activity in an unirradiated single crystal of 3-hydroxyxanthine

    International Nuclear Information System (INIS)

    Cooke, D.W.; Jahan, M.S.; Alexander, C. Jr.

    1976-01-01

    A method of growing single crystals (approximately 4mm long) of 3-hydroxyxanthine is described. Observed scintillations occurring in an unirradiated single crystal of this potent oncogen as the temperature is lowered from 300 to 90 K are shown. It was found that these scintillations occur upon heating or cooling and do not diminish in activity as the number of heating and cooling cycles increase. It was found that a short duration u.v. exposure would terminate the scintillation activity and various attempts (such as annealing and pressure changes) to rejuvenate them were unsuccessful. With these observations in mind speculation is made concerning the mechanisms associated with the production of purine N-oxide derivatives. (U.K.)

  13. Spall behaviour of single crystal aluminium at three principal orientations

    Science.gov (United States)

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

    2017-10-01

    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.

  14. Low temperature deformation mechanisms in LiF single crystals

    International Nuclear Information System (INIS)

    Fotedar, H.L.; Stroebe, T.G.

    1976-01-01

    An analysis of the deformation behavior of high purity LiF single crystals is given using yielding and work hardening data and thermally activated deformation parameters obtained in the temperature range 77-423 0 K. It is found that while the Fleischer mechanism is apparently valid experimentally over the thermally activated temperature range, vacancies produced in large numbers at 77 0 K could also play a role in determining the critical resolved shear stress at that temperature

  15. 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)

    2015-07-01

    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.

  16. A macroscopic model for magnetic shape-memory single crystals

    Czech Academy of Sciences Publication Activity Database

    Bessoud, A. L.; Kružík, Martin; Stefanelli, U.

    2013-01-01

    Roč. 64, č. 2 (2013), s. 343-359 ISSN 0044-2275 R&D Projects: GA AV ČR IAA100750802; GA ČR GAP201/10/0357 Institutional support: RVO:67985556 Keywords : magnetostriction * evolution Subject RIV: BA - General Mathematics Impact factor: 1.214, year: 2013 http://library.utia.cas.cz/separaty/2012/MTR/kruzik-a macroscopic model for magnetic shape- memory single crystals.pdf

  17. The early stages of oxidation of magnesium single crystal surfaces

    International Nuclear Information System (INIS)

    Hayden, B.E.; Schweizer, E.; Koetz, R.; Bradshaw, A.M.

    1981-01-01

    The early stages of oxidation of Mg(001) and Mg(100) single crystal surfaces at 300 K have been investigated by LEED, ELS, work function and ellipsometric measurements. A sharp decrease in work function on both surfaces during the first 12 L exposure indicates the incorporation of oxygen in the earliest stages of the interaction. The incorporated oxygen on Mg(001) gives rise to a broadening of the integral order LEED spots for an exposure 3 L. (orig.)

  18. Application of GRID to Foreign Atom Localization in Single Crystals.

    Science.gov (United States)

    Karmann, A; Wesch, W; Weber, B; Börner, H G; Jentschel, M

    2000-01-01

    The application of GRID (Gamma Ray Induced Doppler broadening) spectroscopy to the localization of foreign atoms in single crystals is demonstrated on erbium in YAP. By the investigation of the Doppler broadened secondary γ line for two crystalline directions, the Er was determined to be localized on the Y site. Conditions for the nuclear parameters of the impurity atoms used for the application of GRID spectroscopy are discussed.

  19. Synthesis, growth, structural, optical, thermal, electrical and mechanical properties of hydrogen bonded organic salt crystal: Triethylammonium-3, 5-dinitrosalicylate

    Science.gov (United States)

    Rajkumar, Madhu; Chandramohan, Angannan

    2017-04-01

    Triethylammonium-3, 5-dinitrosalicylate, an organic salt was synthesized and single crystals grown by slow solvent evaporation solution growth technique using methanol as a solvent. The presence of various functional groups and mode of vibrations has been confirmed by FT-IR spectroscopic technique. The UV-vis-NIR Spectrum was recorded in the range 200-1200 nm to find optical transmittance window and lower cut off wavelength of the title crystal. The formation of the salt and the molecular structure was confirmed by NMR spectroscopic technique. Crystal system, crystalline nature, cell parameters and hydrogen bonding interactions of the grown crystal were determined by single crystal x-ray diffraction analysis. The thermal characteristics of grown crystal were analyzed by thermo gravimetric and differential thermal analyses. Dielectric studies were carried out to study the distribution of charges within the crystal. The mechanical properties of the title crystal were studied by Vicker's microhardness technique.

  20. Influence of solvents on the habit modification of alpha lactose monohydrate single crystals

    Science.gov (United States)

    Parimaladevi, P.; Srinivasan, K.

    2013-02-01

    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.

  1. Growth and characterisation of lead iodide single crystals

    International Nuclear Information System (INIS)

    Tonn, Justus

    2012-01-01

    The work in hand deals with the growth and characterisation of lead iodide (PbI 2 ) single crystals. PbI 2 is regarded as a promising candidate for low-noise X- and gamma ray detection at room temperature. Its benefits if compared to conventional materials like HgI 2 , CdTe, Si, or GaAs lie in a band gap energy of 2.32 eV, an excellent ability to absorb radiation, and a high electrical resistivity. For an application of PbI 2 as detector material the growth and characterisation of crystals with high chemical and structural quality is extremely challenging. In light of this, the effectiveness of zone purification of the PbI 2 used for crystal growth was confirmed by spectroscopic analysis. Furthermore, technological aspects during processing of purified PbI 2 were investigated. With the help of thermal analysis, a correlation was found between the degree of exposing the source material to oxygen from the air and the structural quality of the resulting crystals. A hydrogen treatment was applied to PbI 2 as an effective method for the removal of oxidic pollutions, which resulted in a significant reduction of structural defects like polytypic growth and stress-induced cracking. The growth of PbI 2 single crystals was, among others, carried out by the Bridgman-Stockbarger method. In this context, much effort was put on the investigation of influences resulting from the design and preparation of ampoules. For the first time, crystal growth of PbI 2 was also carried out by the Czochralski method. If compared to the Bridgman-Stockbarger method, the Czochralski technique allowed a significantly faster growth of nearly crack-free crystals with a reproducible predetermination of crystallographic orientation. By an optimised sample preparation of PbI 2 , surface orientations perpendicular to the usually cleaved (0001) plane were realised. It is now possible to determine the material properties along directions which were so far not accessible. Thus, for example, the ratio of

  2. Preparation and characterization of single-crystal multiferroic nanofiber composites

    Energy Technology Data Exchange (ETDEWEB)

    Ren, Zhaohui; Xiao, Zhen; Yin, Simin; Mai, Jiangquan; Liu, Zhenya; Xu, Gang; Li, Xiang; Shen, Ge [State Key Lab of Silicon Materials, Department of Material Science and Engineering, Cyrus Tang Center for Sensor Materials and Applications, Zhejiang University, Hangzhou 310027 (China); Han, Gaorong, E-mail: hgr@zju.edu.cn [State Key Lab of Silicon Materials, Department of Material Science and Engineering, Cyrus Tang Center for Sensor Materials and Applications, Zhejiang University, Hangzhou 310027 (China)

    2013-03-05

    Graphical abstract: One-dimensional single-crystal multiferroic composites composed of PbTiO{sub 3} nanofiber-CoFe{sub 2}O{sub 4} nanodot have been prepared for the first time by a facile in situ solid state sintering method. The composites demonstrate ferroelectricity and ferromagnetism as well as strong coupling between them. Highlights: ► 1D single-crystal multiferroic PTO-CFO was prepared via in situ solid state sintering method. ► A simple epitaxial growth relation has been found between the PTO–CFO composites. ► The composites reveal ferroelectricity and ferromagnetism as well as coupling between them. -- Abstract: One-dimensional single-crystal multiferroic composites consisting of PbTiO{sub 3} (PTO) nanofiber-CoFe{sub 2}O{sub 4} (CFO) nanodot were prepared using an in situ solid state sintering method, where pre-perovskite PTO nanofibers and CFO nanodots were used as precursors. Structural analyses by using transmission electron microscopy, scanning electron microscopy and X-ray diffraction determined a epitaxial growth relation between the PTO nanofiber and the CFO nanodot. Ferromagnetism and ferroelectricity of the nanofiber composites were investigated by using vibarting sample magnetometer (VSM) and piezoresponse force microscopy (PFM)

  3. AFM studies on heavy ion irradiated YBCO single crystals

    International Nuclear Information System (INIS)

    Lakhani, Archana; Marhas, M.K.; Saravanan, P.; Ganesan, V.; Srinivasan, R.; Kanjilal, D.; Mehta, G.K.; Elizabeth, Suja; Bhat, H.L.

    2000-01-01

    Atomic Force Microscopy (AFM) is extensively used to characterise the surface morphology of high energy ion irradiated single crystals of high temperature superconductor - YBCO. Our earlier systematic studies on thin films of YBCO under high energy and heavy ion irradiation shows clear evidence of ion induced sputtering or erosion, even though the effect is more on the grain boundaries. These earlier results were supported by electrical resistance measurements. In order to understand more clearly, the nature of surface modification at these high energies, AFM studies were carried out on single crystals of YBCO. Single crystals were chosen in order to see the effect on crystallites alone without interference from grain boundaries. 200 MeV gold ions were used for investigation using the facilities available at Nuclear Science Centre, New Delhi. The type of ion and the range of energies were chosen to meet the threshold for electronically mediated defect production. The results are in conformity with our earlier studies and will be described in detail in the context of electronic energy loss mediated sputtering or erosion. (author)

  4. Diamond turning of Si and Ge single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Blake, P.; Scattergood, R.O.

    1988-12-01

    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.

  5. Single mode dye-doped polymer photonic crystal lasers

    International Nuclear Information System (INIS)

    Christiansen, Mads B; Buß, Thomas; Smith, Cameron L C; Petersen, Sidsel R; Jørgensen, Mette M; Kristensen, Anders

    2010-01-01

    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 emission and reproducibility of laser characteristics are important if the lasers are to be mass produced in, e.g., optofluidic sensor chips. The fabrication yield is above 85% with highly reproducible wavelengths (within 0.5%), and the temperature dependence on the wavelength is found to be −0.045 or −0.066 nm K -1 , depending on the material

  6. Single mode dye-doped polymer photonic crystal lasers

    DEFF Research Database (Denmark)

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

    2010-01-01

    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...... emission and reproducibility of laser characteristics are important if the lasers are to be mass produced in, e. g., optofluidic sensor chips. The fabrication yield is above 85% with highly reproducible wavelengths (within 0.5%), and the temperature dependence on the wavelength is found to be -0.045 or -0...

  7. Laser generation in opal-like single-crystal and heterostructure photonic crystals

    Science.gov (United States)

    Kuchyanov, A. S.; Plekhanov, A. I.

    2016-11-01

    This study describes the laser generation of a 6Zh rhodamine in artificial opals representing single-crystal and heterostructure films. The spectral and angular properties of emission and the threshold characteristics of generation are investigated. In the case where the 6Zh rhodamine was in a bulk opal, the so-called random laser generation was observed. In contrast to this, the laser generation caused by a distributed feedback inside the structure of the photonic bandgap was observed in photonic-crystal opal films.

  8. Acquisition of Single Crystal Growth and Characterization Equipment. Final report

    International Nuclear Information System (INIS)

    Maple, M. Brian; Zocco, Diego A.

    2008-01-01

    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 scattering

  9. Computational Modeling of Photonic Crystal Microcavity Single-Photon Emitters

    Science.gov (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

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

    KAUST Repository

    Chao, Chunying

    2012-08-15

    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.

  11. Pyroelectric properties of phosphoric acid-doped TGS single crystals

    International Nuclear Information System (INIS)

    Saxena, Aparna; Fahim, M; Gupta, Vinay; Sreenivas, K

    2003-01-01

    Pyroelectric properties of phosphoric acid (H 3 PO 4 )-doped triglycine sulfate (TGSP) single crystals grown from solutions containing 0.1-0.5 mol of H 3 PO 4 have been studied. Incorporation of H 3 PO 4 into the crystal lattice is found to induce an internal bias field (E b ) and is observed through the presence of a sustained polarization and pyroelectricity beyond the transition temperature. The internal bias field has been estimated theoretically by fitting the experimentally measured data on temperature dependence of the pyroelectric coefficient (λ), dielectric constant (ε') and polarization (P). A high E b value in the range 9 x 10 3 -15.5 x 10 4 V m -1 is obtained for crystals grown with 0.1-0.5 mol of H 3 PO 4 in the solution, and a specific concentration of 0.2-0.25 mol of H 3 PO 4 in the solution during crystal growth is found to be optimum for a high figure of merit for detectivity, F d = 428 μC m -2 K -1

  12. Pyroelectric properties of phosphoric acid-doped TGS single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Saxena, Aparna; Fahim, M; Gupta, Vinay; Sreenivas, K [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India)

    2003-12-21

    Pyroelectric properties of phosphoric acid (H{sub 3}PO{sub 4})-doped triglycine sulfate (TGSP) single crystals grown from solutions containing 0.1-0.5 mol of H{sub 3}PO{sub 4} have been studied. Incorporation of H{sub 3}PO{sub 4} into the crystal lattice is found to induce an internal bias field (E{sub b}) and is observed through the presence of a sustained polarization and pyroelectricity beyond the transition temperature. The internal bias field has been estimated theoretically by fitting the experimentally measured data on temperature dependence of the pyroelectric coefficient ({lambda}), dielectric constant ({epsilon}') and polarization (P). A high E{sub b} value in the range 9 x 10{sup 3}-15.5 x 10{sup 4} V m{sup -1} is obtained for crystals grown with 0.1-0.5 mol of H{sub 3}PO{sub 4} in the solution, and a specific concentration of 0.2-0.25 mol of H{sub 3}PO{sub 4} in the solution during crystal growth is found to be optimum for a high figure of merit for detectivity, F{sub d} = 428 {mu}C m{sup -2} K{sup -1}.

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

    Directory of Open Access Journals (Sweden)

    Jinzhang Liu

    2014-04-01

    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.

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

    Science.gov (United States)

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

    2014-01-01

    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.

  15. Spatially resolved observation of crystal-face-dependent catalysis by single turnover counting

    Science.gov (United States)

    Roeffaers, Maarten B. J.; Sels, Bert F.; Uji-I, Hiroshi; de Schryver, Frans C.; Jacobs, Pierre A.; de Vos, Dirk E.; Hofkens, Johan

    2006-02-01

    Catalytic processes on surfaces have long been studied by probing model reactions on single-crystal metal surfaces under high vacuum conditions. Yet the vast majority of industrial heterogeneous catalysis occurs at ambient or elevated pressures using complex materials with crystal faces, edges and defects differing in their catalytic activity. Clearly, if new or improved catalysts are to be rationally designed, we require quantitative correlations between surface features and catalytic activity-ideally obtained under realistic reaction conditions. Transmission electron microscopy and scanning tunnelling microscopy have allowed in situ characterization of catalyst surfaces with atomic resolution, but are limited by the need for low-pressure conditions and conductive surfaces, respectively. Sum frequency generation spectroscopy can identify vibrations of adsorbed reactants and products in both gaseous and condensed phases, but so far lacks sensitivity down to the single molecule level. Here we adapt real-time monitoring of the chemical transformation of individual organic molecules by fluorescence microscopy to monitor reactions catalysed by crystals of a layered double hydroxide immersed in reagent solution. By using a wide field microscope, we are able to map the spatial distribution of catalytic activity over the entire crystal by counting single turnover events. We find that ester hydrolysis proceeds on the lateral {1010} crystal faces, while transesterification occurs on the entire outer crystal surface. Because the method operates at ambient temperature and pressure and in a condensed phase, it can be applied to the growing number of liquid-phase industrial organic transformations to localize catalytic activity on and in inorganic solids. An exciting opportunity is the use of probe molecules with different size and functionality, which should provide insight into shape-selective or structure-sensitive catalysis and thus help with the rational design of new or

  16. Evaluation of single crystal coefficients from mechanical and x-ray elastic constants of the polycrystal

    International Nuclear Information System (INIS)

    Hauk, V.; Kockelmann, H.

    1979-01-01

    Methods of calculation are developed for determination of single crystal elastic compliance or stiffness constants of cubic and hexagonal materials from mechanical and X-ray elastic constants of polycrystals. The calculations are applied to pure, cubic iron and hexagonal WC. There are no single crystal constants in the literature for WC, because no single crystals suitable for measurement are available. (orig.) [de

  17. Plastic deformation of Ni3Nb single crystals

    International Nuclear Information System (INIS)

    Hagihara, Kouji; Nakano, Takayoshi; Umakoshi, Yukichi

    1999-01-01

    Temperature dependence of yield stress and operative slip system in Ni 3 Nb single crystals with the D0 a structure was investigated in comparison with that in an analogous L1 2 structure. Compression tests were performed at temperatures between 20 C and 1,200 C for specimens with loading axes perpendicular to (110), (331) and (270). (010)[100] slip was operative for three orientations, while (010)[001] slip for (331) and [211] twin for (270) orientations were observed, depending on deformation temperature. The critical resolved shear stress (CRSS) for the (010)[100] slip anomaly increased with increasing temperature showing a maximum peak between 400 C and 800 C depending on crystal orientation. The CRSS showed orientation dependence and no significant strain rate dependence in the temperature range for anomalous strengthening. The [100] dislocations with a screw character were aligned on the straight when the anomalous strengthening occurred. The anomalous strengthening mechanism for (010)[100] slip in Ni 3 Nb single crystals is discussed on the basis of a cross slip model which has been widely accepted for some L1 2 -type compounds

  18. 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

    1994-12-31

    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.

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

    Directory of Open Access Journals (Sweden)

    Jinghui Li

    2015-01-01

    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.

  20. Synthesis, characterization and crystal structures of new organic compounds containing cyanoacrylic acid

    Czech Academy of Sciences Publication Activity Database

    Khalaji, A.D.; Mogheiseh, M.; Eigner, Václav; Dušek, Michal; Chow, T.J.; Maddahi, E.

    2015-01-01

    Roč. 1098, Oct (2015), s. 318-323 ISSN 0022-2860 R&D Projects: GA ČR(CZ) GA14-03276S Institutional support: RVO:68378271 Keywords : organic compounds * cyanoacrylic acid * single-crystal structure analysis * dye-sensitized solar cells * density functional theory Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.780, year: 2015

  1. Crystal growth and optical properties of Sm:CaNb2O6 single crystal

    International Nuclear Information System (INIS)

    Di Juqing; Xu Xiaodong; Xia Changtai; Zeng Huidan; Cheng Yan; Li Dongzhen; Zhou Dahua; Wu Feng; Cheng Jimeng; Xu Jun

    2012-01-01

    Highlights: ► Sm:CaNb 2 O 6 single crystal was grown by the Czochralski method. ► Thermal expansion coefficients and J–O parameters were calculated. ► We found that this crystal had high quantum efficiency of 97%. - Abstract: Sm:CaNb 2 O 6 single crystal has been grown by the Czochralski method. Its high-temperature X-ray powder diffraction, optical absorption, emission spectroscopic as well as lifetime have been studied. Thermal expansion coefficients (α), J–O parameters (Ω i ), radiative lifetime (τ rad ), branching ratios (β) and stimulated emission cross-sections (σ e ) were calculated. The quantum efficiency (η) was calculated to be 97%. The intense peak emission cross section at 610, 658 nm were calculated to be 2.40 × 10 −21 , 2.42 × 10 −21 cm 2 . These results indicate that Sm:CaNb 2 O 6 crystal has potential use in visible laser and photonic devices area.

  2. Crystal growth and luminescence properties of Pr-doped LuLiF4 single crystal

    International Nuclear Information System (INIS)

    Sugiyama, Makoto; Yanagida, Takayuki; Yokota, Yuui; Kurosawa, Shunsuke; Fujimoto, Yutaka; Yoshikawa, Akira

    2013-01-01

    0.1, 1, and 3% Pr (with respect to Lu) doped LuLiF 4 (Pr:LuLiF 4 ) single crystals were grown by the micro-pulling-down (μ-PD) method. Transparency of the grown crystals was higher than 70% in the visible wavelength region with some absorption bands due to Pr 3+ 4f-4f transitions. Intense absorption bands related with the Pr 3+ 4f-5d transitions were observed at 190 and 215 nm. In radioluminescence spectra, Pr 3+ 5d-4f emissions were observed at 220, 240, 340, and 405 nm. In the pulse height spectra recorded under 137 Cs γ-ray excitation, the Pr 3% doped sample showed the highest light yield of 2050 photons/MeV and the scintillation decay time of it exhibited 23 and 72 ns also excited by 137 Cs γ-ray. -- Highlights: ► 0.1, 1, and 3% Pr-doped LuLiF 4 single crystals were grown by the μ-PD method. ► Pr 3+ 5d-4f emission peaks appeared at 220, 240, 340, and 405 nm ► The Pr 3%:LuLiF 4 crystal showed the highest light yield of 2050 photons/MeV

  3. Single crystal X-ray structural features of aromatic compounds having a pentafluorosulfuranyl (SF5) functional group

    Czech Academy of Sciences Publication Activity Database

    Du, J.; Hua, G.; Beier, Petr; Slawin, A. M. Z.; Woollins, J. D.

    2017-01-01

    Roč. 28, č. 3 (2017), s. 723-733 ISSN 1040-0400 Institutional support: RVO:61388963 Keywords : pentafluorosulfuranyl (SF5) group * aromatic compounds * single crystal X-ray structure * intramolecular interactions * intermolecular interactions Subject RIV: CC - Organic Chemistry OBOR OECD: Organic chemistry Impact factor: 1.582, year: 2016

  4. Polarised IR-microscope spectra of guanidinium hydrogensulphate single crystal.

    Science.gov (United States)

    Drozd, M; Baran, J

    2006-07-01

    Polarised IR-microscope spectra of C(NH(2))(3)*HSO(4) small single crystal samples were measured at room temperature. The spectra are discussed on the basis of oriented gas model approximation and group theory. The stretching nuOH vibration of the hydrogen bond with the Ocdots, three dots, centeredO distance of 2.603A gives characteristic broad AB-type absorption in the IR spectra. The changes of intensity of the AB bands in function of polariser angle are described. Detailed assignments for bands derived from stretching and bending modes of sulphate anions and guanidinium cations were performed. The observed intensities of these bands in polarised infrared spectra were correlated with theoretical calculation of directional cosines of selected transition dipole moments for investigated crystal. The vibrational studies seem to be helpful in understanding of physical and chemical properties of described compound and also in design of new complexes with exactly defined behaviors.

  5. Polarized IR-microscope spectra of guanidinium hydrogenselenate single crystal.

    Science.gov (United States)

    Drozd, M; Baran, J

    2005-10-01

    The polarized IR-microscope spectra of C(NH2)3.HSeO4 small single crystal samples were measured at room temperature. The spectra are discussed with the framework of oriented gas model approximation and group theory. The stretching nuOH vibration of the hydrogen bond with the O...O distance of 2.616 A gives characteristic broad AB-type absorption in the IR spectra. The changes of intensity of the AB bands in function of polarizer angle are described. Detailed assignment for bands derived from stretching and bending modes of selenate anions and guanidinium cations were performed. The observed intensities of these bands in polarized infrared spectra were correlated with theoretical calculation of directional cosines of selected transition dipole moments for investigated crystal. The vibrational studies seem to be helpful in understanding of physical and chemical properties of described compound and also in design of new complexes with exactly defined behaviors.

  6. Giant negative photoresistance of ZnO single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Barzola-Quiquia, Jose; Esquinazi, Pablo [Division of Superconductivity and Magnetism, University of Leipzig (Germany); Heluani, Silvia [Laboratorio de Fisica del Solido, FCEyT, Universidad Nacional de Tucuman, 4000 S. M. de Tucuman (Argentina); Villafuerte, Manuel [Dept. de Fisica, FCEyT, Universidad Nacional de Tucuman (Argentina); CONICET, Tucuman (Argentina); Poeppl, Andreas [Division of Magnetic Resonance of Complex Quantum Solids, University of Leipzig, D-04103 Leipzig (Germany)

    2011-07-01

    ZnO is a wide band gap semiconductor exhibiting the largest charge-carrier mobility among oxides. ZnO is a material with potential applications for short-wavelength optoelectronic devices, as a blue light emitting diodes and in spintronics. In this contribution we have measured the temperature dependence (30 K < T < 300 K) of the electrical resistance of ZnO single crystals prepared by hydrothermal method in darkness and under the influence of light in the ultraviolet range. The resistance decreases several orders of magnitude at temperatures T < 200 K after illumination. Electron paramagnetic resonance studies under illumination reveal that the excitation of Li acceptor impurities is the origin for the giant negative photoresistance effect. Permanent photoresistance effect is also observed, which remains many hours after leaving the crystal in darkness.

  7. Thermal conductivity of niobium single crystals in a magnetic field

    International Nuclear Information System (INIS)

    Gladun, C.; Vinzelberg, H.

    1980-01-01

    The thermal conductivity in longitudinal magnetic fields up to 5 T and in the temperature range 3.5 to 15 K is measured in two high purity niobium single crystals having residual resistivity ratios of 22700 and 19200 and orientations of the rod axis [110] and [100]. The investigations show that by means of the longitudinal magnetic field the thermal conductivity may decrease only to a limiting value. In the crystal directions [110] and [100] for the ratio of the thermal conductivity in zero field and the thermal conductivity in the saturation field the temperature-independent factors 1.92 and 1.27, respectively, are determined. With the aid of these factors the thermal conductivity in the normal state is evaluated from the measured values of thermal conductivity below Tsub(c) in the magnetic field. The different conduction and scattering mechanisms are discussed. (author)

  8. Preparation of high purity yttrium single crystals by electrotransport

    International Nuclear Information System (INIS)

    Volkov, V.T.; Nikiforova, T.V.; Ionov, A.M.; Pustovit, A.N.; Sikharulidse, G.G.

    1981-01-01

    The possibility of obtaining yttrium crystals of high purity by the method of solid state electrotransport (SSE) was investigated in the present work. The behaviour of low contents of iron, aluminium, silicon, tantalum, copper, silver and vanadium as metallic impurities was studied using mass spectrometry. It is shown that all the impurities investigated, except copper, migrate to the anode. During electrotransfer a purification with respect to these impurities by a factor of 4 - 6 is obtained. It is proposed that the diffusion coefficients of the metallic impurities investigated are anomalously high and that the behaviour of the impurities during SSE in adapters necessitates further investigation. By using a three-stage process with intermediate removal of the anode end yttrium single crystals with a resistance ratio rho 293 /rhosub(4.2)=570 were produced. (Auth.)

  9. Temperature and fluence effects in lead implanted cobalt single crystals

    International Nuclear Information System (INIS)

    Johansen, A.; Sarholt-Kristensen, L.; Johnson, E.; Steenstrup, S.; Chernysh, V.S.

    1988-01-01

    The channeled sputtering yields of the hcp and fcc phases of cobalt depend on the crystal structure and the radiation induced damage. Earlier irradiations of cobalt with argon ions channeled in the hcp direction give sputtering yields higher than expected in the temperature range 100-350deg C. This effect was attributed to a combination of radiation induced damage and a possible implantation induced hcp --> fcc phase transition. Sputtering yields for cobalt single crystals irradiated with 150 keV Pb + ions along the direction of the hcp phase and the direction of the fcc phase have been measured using the weightloss method. The radiation damage and the amount of lead retained in the implanted surface has been investigated by 'in situ' RBS/channeling analysis. Measured partial sputtering yields of lead ≅ 1 atom/ion indicate preferential sputtering of lead atoms. (orig.)

  10. 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

    2016-04-01

    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.

  11. Single-Photon Source for Quantum Information Based on Single Dye Molecule Fluorescence in Liquid Crystal Host

    International Nuclear Information System (INIS)

    Lukishova, S.G.; Knox, R.P.; Freivald, P.; McNamara, A.; Boyd, R.W.; Stroud, Jr. C.R.; Schmid, A.W.; Marshall, K.L.

    2006-01-01

    This paper describes a new application for liquid crystals: quantum information technology. A deterministically polarized single-photon source that efficiently produces photons exhibiting antibunching is a pivotal hardware element in absolutely secure quantum communication. Planar-aligned nematic liquid crystal hosts deterministically align the single dye molecules which produce deterministically polarized single (antibunched) photons. In addition, 1-D photonic bandgap cholesteric liquid crystals will increase single-photon source efficiency. The experiments and challenges in the observation of deterministically polarized fluorescence from single dye molecules in planar-aligned glassy nematic-liquid-crystal oligomer as well as photon antibunching in glassy cholesteric oligomer are described for the first time

  12. Crystallization of Organic Semiconductor Molecules in Nanosized Cavities

    DEFF Research Database (Denmark)

    Milita, Silvia; Dionigi, Chiara; Borgatti, Francesco

    2008-01-01

    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 evapora...

  13. Synthesis, spectral analysis, optical and thermal properties of new organic NLO crystal: N,N";-Diphenylguanidinium Nitrate (DPGN)

    Science.gov (United States)

    Saravana Kumar, G.; Murugakoothan, P.

    2014-10-01

    A new organic NLO material N,N";-Diphenylguanidinium Nitrate (DPGN) single crystal was grown by slow evaporation technique using methanol as solvent. Single crystal X-ray diffraction and powder X-ray diffraction experiments were carried out in order to confirm the structure and crystalline nature of DPGN crystal. Wide band gap of 3.9 eV with transmittance of 57% up to 800 nm is observed for the grown crystal using UV-vis spectral analysis. The chemical bonding and presence of various functional groups were confirmed by the FT-IR and FT-Raman spectral studies. The thermal behavior of DPGN crystal was analyzed by simultaneous TG-DTA studies. The second harmonic generation (SHG) nonlinearity of the grown crystal was measured by Kurtz and Perry powder technique and was found to be comparable with that of the standard reference material potassium dihydrogen phosphate (KDP) crystal.

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

    KAUST Repository

    Maculan, Giacomo; Sheikh, Arif D.; Abdelhady, Ahmed L.; Saidaminov, Makhsud I.; Haque, Mohammed; Banavoth, Murali; Alarousu, Erkki; Mohammed, Omar F.; Wu, Tao; Bakr, Osman

    2015-01-01

    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

  15. Magnetic order of Nd5Pb3 single crystals

    Science.gov (United States)

    Yan, J.-Q.; Ochi, M.; Cao, H. B.; Saparov, B.; Cheng, J.-G.; Uwatoko, Y.; Arita, R.; Sales, B. C.; Mandrus, D. G.

    2018-04-01

    We report millimeter-sized Nd5Pb3 single crystals grown out of a Nd-Co flux. We experimentally study the magnetic order of Nd5Pb3 single crystals by measuring the anisotropic magnetic properties, electrical resistivity under high pressure up to 8 GPa, specific heat, and neutron single crystal diffraction. Two successive magnetic orders are observed at T N1  =  44 K and T N2  =  8 K. The magnetic cells can be described with a propagation vector k=(0.5, 0, 0) . Cooling below T N1, Nd1 and Nd3 order forming ferromagnetic stripes along the b-axis, and the ferromagnetic stripes are coupled antiferromagnetically along the a-axis for the k=(0.5, 0, 0) magnetic domain. Cooling below T N2, Nd2 orders antiferromagnetically to nearby Nd3 ions. All ordered moments align along the crystallographic c-axis. The magnetic order at T N1 is accompanied by a quick drop of electrical resistivity upon cooling and a lambda-type anomaly in the temperature dependence of specific heat. At T N2, no anomaly was observed in electrical resistivity but there is a weak feature in specific heat. The resistivity measurements under hydrostatic pressures up to 8 GPa suggest a possible phase transition around 6 GPa. Our first-principles band structure calculations show that Nd5Pb3 has the same electronic structure as does Y5Si3 which has been reported to be a one-dimensional electride with anionic electrons that do not belong to any atom. Our study suggests that R 5Pb3 (R  =  rare earth) can be a materials playground for the study of magnetic electrides. This deserves further study after experimental confirmation of the presence of anionic electrons.

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

    International Nuclear Information System (INIS)

    Jo, Kwang Ho

    2012-02-01

    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 Φ 30 mm x 15 mm, and Φ 40 mm x 17 mm from the first ample, and size of Φ 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

  17. Organic nonlinear crystals and high power frequency conversion

    International Nuclear Information System (INIS)

    Velsko, S.P.; Davis, L.; Wang, F.; Monaco, S.; Eimerl, D.

    1987-12-01

    We are searching for a new second- and third-harmonic generators among the salts of chiral organic acids and bases. We discuss the relevant properties of crystals from this group of compounds, including their nonlinear and phasematching characteristics, linear absorption, damage threshold and crystal growth. In addition, we summarize what is known concerning other nonlinear optical properties of these crystals, such as two-photon absorption, nonlinear refractive index, and stimulated Raman thresholds. A preliminary assessment is made of the potential of these materials for use in future high power, large aperture lasers such as those used for inertial confinement fusion experiments. 14 refs., 1 fig., 3 tabs

  18. Organic nonlinear crystals and high power frequency conversion

    International Nuclear Information System (INIS)

    Velsko, S.P.; Davis, L.; Wang, F.; Monaco, S.; Eimerl, D.

    1987-01-01

    The authors are searching for new second and third harmonic generators among the salts of organic acids and bases. They discuss the relevant properties of crystals from this group of compounds, including their nonlinear and phasematching characteristics, linear absorption, damage threshold and crystal growth. In addition, they summarize what is known concerning other nonlinear optical properties of these crystals, such as two-photon absorption, nonlinear refractive index, and stimulated Raman thresholds. A preliminary assessment is made of the potential of these materials for use in future high power, large aperture lasers such as those used for inertial confinement fusion experiments

  19. Infrared absorption in PbTe single crystals

    International Nuclear Information System (INIS)

    Kudykina, T.A.

    1982-01-01

    A group-theoretical analysis is conducted to select rules for optical transitions between bands in PbTe single crystals. It is shown that transitions between valence bands which are near a forbidden band are also forbidden. The extra absorption observed in p-PbTe and p-Pbsub(1-x)Snsub(x)Te in the region between the self-absorption edge and the free-carrier absorption edge is probably connected with transitions between one of valence bands and the p-state of the impurity

  20. Pyroelectric effect in tryglicyne sulphate single crystals - Differential measurement method

    Science.gov (United States)

    Trybus, M.

    2018-06-01

    A simple mathematical model of the pyroelectric phenomenon was used to explain the electric response of the TGS (triglycine sulphate) samples in the linear heating process in ferroelectric and paraelectric phases. Experimental verification of mathematical model was realized. TGS single crystals were grown and four electrode samples were fabricated. Differential measurements of the pyroelectric response of two different regions of the samples were performed and the results were compared with data obtained from the model. Experimental results are in good agreement with model calculations.

  1. The sublimation kinetics of GeSe single crystals

    Science.gov (United States)

    Irene, E. A.; Wiedemeier, H.

    1975-01-01

    The sublimation kinetics of (001) oriented GeSe single crystal platelets was studied by high-temperature mass spectroscopy, quantitative vacuum microbalance techniques, and hot stage optical microscopy. For a mean experimental temperature of 563 K, the activation enthalpy and entropy are found to equal 32.3 kcal/mole and 19.1 eu, respectively. The vaporization coefficient is less than unity for the range of test temperatures, and decreases with increasing temperature. The combined experimental data are correlated by means of a multistep surface adsorption mechanism.

  2. EPR studies of gamma-irradiated taurine single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Bulut, A. E-mail: abulut@samsun.omu.edu.tr; Karabulut, B.; Tapramaz, R.; Koeksal, F

    2000-04-01

    An EPR study of gamma-irradiated taurine [C{sub 2}H{sub 7}NO{sub 3}S] single crystal was carried out at room temperature. The EPR spectra were recorded in the three at mutually perpendicular planes. There are two magnetically distinct sites in monoclinic lattice. The principle values of g and hyperfine constants for both sites were calculated. The results have indicated the presence of {sup 32}SO{sup -}{sub 2} and {sup 33}SO{sup -}{sub 2} radicals. The hyperfine values of {sup 33}SO{sup -}{sub 2} radical were used to obtain O-S-O bond angle for both sites.

  3. EPR studies of gamma-irradiated taurine single crystals

    International Nuclear Information System (INIS)

    Bulut, A.; Karabulut, B.; Tapramaz, R.; Koeksal, F.

    2000-01-01

    An EPR study of gamma-irradiated taurine [C 2 H 7 NO 3 S] single crystal was carried out at room temperature. The EPR spectra were recorded in the three at mutually perpendicular planes. There are two magnetically distinct sites in monoclinic lattice. The principle values of g and hyperfine constants for both sites were calculated. The results have indicated the presence of 32 SO - 2 and 33 SO - 2 radicals. The hyperfine values of 33 SO - 2 radical were used to obtain O-S-O bond angle for both sites

  4. Lattice effects in HoVo3 single crystal

    International Nuclear Information System (INIS)

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

    2007-01-01

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

  5. Radiation defects produced by neutron irradiation in germanium single crystals

    International Nuclear Information System (INIS)

    Fukuoka, Noboru; Honda, Makoto; Atobe, Kozo; Yamaji, Hiromichi; Ide, Mutsutoshi; Okada, Moritami.

    1992-01-01

    The nature of defects produced in germanium single crystals by neutron irradiation at 25 K was studied by measuring the electrical resistivity. It was found that two levels located at E c -0.06 eV and E c -0.13 eV were introduced in an arsenic-doped sample. Electron traps at E c -0.10eV were observed in an indium-doped sample. The change in electrical resistivity during irradiation was also studied. (author)

  6. Single crystal NMR studies of high temperature superconductors

    International Nuclear Information System (INIS)

    Pennington, C.H.; Durand, D.J.; Zax, D.B.; Slichter, C.P.; Rice, J.P.; Bukowski, E.D.; Ginsberg, D.M.

    1989-01-01

    The authors report Cu NMR studies in the normal state of a single crystal of the T/sub c/ = 90 K superconductor YBa 2 Cu 3 O/sub 7/minus/δ/. The authors have measured the magnetic shift tensor, the electric field gradient tensor, the nuclear spin-lattice relaxation rate tensor, and the time dependence and functional form of the transverse decay. From these data they obtain information about the charge state and magnetic state of the Cu atoms, and the existence and size of the electronic exchange coupling between spins of adjacent Cu atoms. 18 refs., 3 figs., 2 tabs

  7. Nonstoichiometry and conductivity anisotropy of lead germanate single crystals

    International Nuclear Information System (INIS)

    Jermakov, O.S.; Duda, V.M.

    2010-01-01

    The conductivity of lead germanate single crystals with the stoichiometric composition, PbO deficiency, and PbO excess has been measured. A reduction of the PbO fraction in the initial blend leads to a considerable increase of the conductivity, because the fraction of lead ions which change their valency from Pb 2+ to Pb 3+ grows. The relative arrangement of lead ions, which are able to change their valency and trap holes, can be responsible for a significant anisotropy of conductivity.

  8. Magnetic anisotropy of YNi2B2C single crystals

    International Nuclear Information System (INIS)

    Baran, M.; Gladczuk, L.; Gorecka, J.; Szymczak, H.; Szymczak, R.; Drzazga, Z.; Winiarska, H.

    1994-01-01

    Reversible and irreversible magnetization processes in YNi 2 B 2 C single crystal have been measured and analysed in terms of existing theories. Performed measurements suggest that anisotropy of the effective mass in YNi 2 B 2 C superconductor is rather small and similar to that observed in conventional superconductors. Effect of hydrostatic pressure on T c is shown to be typical of low-temperature superconductors. It is suggested that the layered structure of YNi 2 B 2 C has some effect on the irreversible magnetization processes observed in this superconductor. ((orig.))

  9. Defect sensitive etching of hexagonal boron nitride single crystals

    Science.gov (United States)

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

    2017-12-01

    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. Implanted strontium titanate single crystals for energy storage applications

    Energy Technology Data Exchange (ETDEWEB)

    Stoeber, Max; Cherkouk, Charaf; Walter, Juliane; Strohmeyer, Ralph; Leisegang, Tilmann; Meyer, Dirk Carl [TU Bergakademie, Freiberg (Germany); Schelter, Matthias; Zosel, Jens [Kurt Schwabe Institute, Meinsberg (Germany); Prucnal, Slawomir [Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden-Rossendorf (Germany)

    2016-07-01

    A rapid increase of the demand on efficient energy storage solutions requires new approaches beyond the Li-ion technology. In particular, metal-air batteries as well as solid-state fuel cells offer a great potential for high-energy-density storage devices. Since the efficiency of such devices is significantly limited by the activation of both the oxygen reduction reaction (ORR) and the ionic and electronic conductivities, an adequate porosity as well as a controlled doping are required. The ion implantation is a key technology to achieve this goal. In this work, p- and n-doped strontium titanate (SrTiO{sub 3}) single crystals were used as oxidic materials. The oxygen exchange kinetics as well as the structural changes of the SrTiO{sub 3} crystal surface induced by the ion implantation were investigated. On one hand, the depth profile of dopant concentration and dopant valence state were determined using sputtered X-ray photoelectron spectroscopy (XPS). On the other hand, the overall oxygen exchange kinetic of the implanted SrTiO{sub 3} crystal was quantitatively described by means of coulometric titration using Zirox system (ZIROX GmbH, Germany). Furthermore, the surface morphology of the samples was investigated using atomic force microscopy (AFM).

  11. Synthesis and Single Crystal X-Ray Structure Determination of 3,3',5 ...

    African Journals Online (AJOL)

    Single crystal structure determination at 100 K revealed needle-like crystals in an orthorhombic crystal system. The asymmetric unit of the cell consists of an isolated chloride ion, one half of a tetrahedral [MnCl4]2- anion, a [H2Me4bpz]2+ dication and one half of a molecule of water. Keywords: Crystal Engineering, Hydrogen ...

  12. Temperature dependence of magnetoresistance in copper single crystals

    Science.gov (United States)

    Bian, Q.; Niewczas, M.

    2018-03-01

    Transverse magnetoresistance of copper single crystals has been measured in the orientation of open-orbit from 2 K to 20 K for fields up to 9 T. The experimental Kohler's plots display deviation between individual curves below 16 K and overlap in the range of 16 K-20 K. The violation of the Kohler's rule below 16 K indicates that the magnetotransport can not be described by the classical theory of electron transport on spherical Fermi surface with a single relaxation time. A theoretical model incorporating two energy bands, spherical and cylindrical, with different relaxation times has been developed to describe the magnetoresistance data. The calculations show that the electron-phonon scattering rates at belly and neck regions of the Fermi surface have different temperature dependencies, and in general, they do not follow T3 law. The ratio of the relaxation times in belly and neck regions decreases parabolically with temperature as A - CT2 , with A and C being constants.

  13. Synthesis, growth, structural, optical and thermal properties of a new organic salt crystal: 3-nitroanilinium trichloroacetate

    Science.gov (United States)

    Selvakumar, E.; Chandramohan, A.; Anandha Babu, G.; Ramasamy, P.

    2014-09-01

    A new organic non-linear optical salt 3-nitroanilinium trichloroacetate has been synthesized and single crystals grown by slow solvent evaporation solution growth technique at room temperature using methanol as the solvent. The 1H and 13C Nuclear magnetic resonance spectra were recorded to establish the molecular structure of the title salt. The crystal structure of the title crystal has been determined by single crystal X-ray diffraction analysis and it belongs to monoclinic crystal system with non-centrosymmetric space group P21. Fourier transform infrared spectral study has been carried out to confirm the presence of various functional groups. The optical transmittance spectrum was recorded in the range 200-2500 nm, to find the optical transmittance window and lower cut off wavelength. The thermo gravimetric and differential thermal analyses were carried out to establish the thermal stability of the title crystal. The second harmonic generation in the title crystal was confirmed by the modified Kurtz-Perry powder test employing the Nd: YAG laser as the source for infrared radiation.

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

    KAUST Repository

    Maculan, Giacomo

    2015-09-02

    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.

  15. Strength and deformation of shocked diamond single crystals: Orientation dependence

    Science.gov (United States)

    Lang, J. M.; Winey, J. M.; Gupta, Y. M.

    2018-03-01

    Understanding and quantifying the strength or elastic limit of diamond single crystals is of considerable scientific and technological importance, and has been a subject of long standing theoretical and experimental interest. To examine the effect of crystalline anisotropy on strength and deformation of shocked diamond single crystals, plate impact experiments were conducted to measure wave profiles at various elastic impact stresses up to ˜120 GPa along [110] and [111] crystal orientations. Using laser interferometry, particle velocity histories and shock velocities in the diamond samples were measured and were compared with similar measurements published previously for shock compression along the [100] direction. Wave profiles for all three orientations showed large elastic wave amplitudes followed by time-dependent inelastic deformation. From the measured wave profiles, the elastic limits were determined under well characterized uniaxial strain loading conditions. The measured elastic wave amplitudes for the [110] and [111] orientations were lower for higher elastic impact stress (stress attained for an elastic diamond response), consistent with the result reported previously for [100] diamond. The maximum resolved shear stress (MRSS) on the {111}⟨110⟩ slip systems was determined for each orientation, revealing significant orientation dependence. The MRSS values for the [100] and [110] orientations (˜33 GPa) are 25%-30% of theoretical estimates; the MRSS value for the [111] orientation is significantly lower (˜23 GPa). Our results demonstrate that the MRSS depends strongly on the stress component normal to the {111} planes or the resolved normal stress (RNS), suggesting that the RNS plays a key role in inhibiting the onset of inelastic deformation. Lower elastic wave amplitudes at higher peak stress and the effect of the RNS are inconsistent with typical dislocation slip mechanisms of inelastic deformation, suggesting instead an inelastic response

  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)

    2016-10-15

    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. Photoluminescence and lasing properties of MAPbBr3 single crystals grown from solution

    Science.gov (United States)

    Aryal, Sandip; Lafalce, Evan; Zhang, Chuang; Zhai, Yaxin; Vardeny, Z. Valy

    Recent studies of solution-grown single crystals of inorganic-organic hybrid lead-trihalide perovskites have suggested that surface traps may play a significant role in their photophysics. We study electron-hole recombination in single crystal MAPbBr3 through such trap states using cw photoluminescence (PL) and ps transient photoinduced absorption (PA) spectroscopies. By varying the depth of the collecting optics we examined the contributions from surface and bulk radiative recombination. We found a surface dominated PL band at the band-edge that is similar to that observed from polycrystalline thin films, as well as a weaker red-shifted emission band that originates from the bulk crystal. The two PL bands are distinguished in their temperature, excitation intensity and polarization dependencies, as well as their ps dynamics. Additionally, amplified spontaneous emission and crystal-related cavity lasing modes were observed in the same spectral range as the PL band assigned to the surface recombination. This work was funded by AFOSR through MURI Grant RA 9550-14-1-0037.

  18. Spiro-OMeTAD single crystals: Remarkably enhanced charge-carrier transport via mesoscale ordering

    KAUST Repository

    Shi, Dong; Qin, X.; Li, Yuan; He, Yao; Zhong, Cheng; Pan, Jun; Dong, H.; Xu, Wei; Li, T.; Hu, W.; Bredas, Jean-Luc; Bakr, Osman

    2016-01-01

    bottleneck for advancing cell efficiencies. We devised an antisolvent crystallization strategy to grow single crystals of spiro-OMeTAD, which allowed us to experimentally elucidate its molecular packing and transport properties. Electronic structure

  19. Specific features of the crystal packing that enable styryl dyes of the pyridine series to undergo the solid-phase [2 + 2] photocycloaddition including the process with single crystal retention

    International Nuclear Information System (INIS)

    Kuz'mina, L. G.; Vedernikov, A. I.; Sazonov, S. K.; Lobova, N. A.; Loginov, P. S.; Howard, J. A. K.; Alfimov, M. V.; Gromov, S. P.

    2008-01-01

    The crystal packing of a number of styryl dyes of the pyridine series is analyzed. The structures of three dyes and three [2 + 2] photocycloaddition (PCA) products, 1,2,3,4-tetrasubstituted cyclobutanes, obtained in single crystals are determined by X-ray diffraction. Stacks of planar organic cations are characteristic of styryl dye packings. The proceeding of the PCA reaction as a single crystal-to-single crystal transformation in the syn head-to-head stacks is in principle impossible. The syn head-to-tail stacking packings are favorable for the PCA reactions resulting in the centrosymmetric rctt isomers of cyclobutane. The stacking packings, in which molecules are related by the twofold axes (the anti arrangement of molecules), are also favorable for PCA in single crystals. In this case, the products are the rtct isomers of cyclobutane. The presence of the I - counterions in a packing is a factor impeding the PCA reaction, because the secondary I-H-C bonds increase the rigidity of the crystal lattice. The conditions necessary for proceeding the PCA reactions in styryl dyes as single crystal-to-single crystal processes are as follows: (1) the stacks split into pairs of organic cations (dimers) with the d distances within 4.2 A in a dimer and d exceeding 4.2 A between the dimers; and (2) the dimers are surrounded by flexible shells consisting of anions, solvate molecules, or flexible moieties of the organic cations themselves.

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

    Science.gov (United States)

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

    2018-05-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-06-24

    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.

  2. Time-resolved luminescent spectroscopy of YAG:Ce single crystal and single crystalline films

    International Nuclear Information System (INIS)

    Zorenko, Yu.; Gorbenko, V.; Savchyn, V.; Vozniak, T.; Puzikov, V.; Danko, A.; Nizhankovski, S.

    2010-01-01

    The peculiarities of the luminescence and energy transfer from YAG host to the emission centers formed by the Y Al antisite defects and Ce 3+ ions have been studied in YAG:Ce single crystals, grown from the melt by modified Bridgman method in Ar and CO 2 + H 2 atmospheres, and YAG:Ce single crystalline film, grown by liquid phase epitaxy method, using the comparative time-resolved luminescent spectroscopy under excitation by synchrotron radiation in the range of fundamental adsorption of this garnet.

  3. Ion implantation of CdTe single crystals

    International Nuclear Information System (INIS)

    Wiecek, Tomasz; Popovich, Volodymir; Bester, Mariusz; Kuzma, Marian

    2017-01-01

    Ion implantation is a technique which is widely used in industry for unique modification of metal surface for medical applications. In semiconductor silicon technology ion implantation is also widely used for thin layer electronic or optoelectronic devices production. For other semiconductor materials this technique is still at an early stage. In this paper based on literature data we present the main features of the implantation of CdTe single crystals as well as some of the major problems which are likely to occur when dealing with them. The most unexpected feature is the high resistance of these crystals against the amorphization caused by ion implantation even at high doses (10"1"7 1/cm"2). The second property is the disposal of defects much deeper in the sample then it follows from the modeling calculations. The outline of principles of the ion implantation is included in the paper. The data based on RBS measurements and modeling results obtained by using SRIM software were taken into account.

  4. Simulations of surface stress effects in nanoscale single crystals

    Science.gov (United States)

    Zadin, V.; Veske, M.; Vigonski, S.; Jansson, V.; Muszinsky, J.; Parviainen, S.; Aabloo, A.; Djurabekova, F.

    2018-04-01

    Onset of vacuum arcing near a metal surface is often associated with nanoscale asperities, which may dynamically appear due to different processes ongoing in the surface and subsurface layers in the presence of high electric fields. Thermally activated processes, as well as plastic deformation caused by tensile stress due to an applied electric field, are usually not accessible by atomistic simulations because of the long time needed for these processes to occur. On the other hand, finite element methods, able to describe the process of plastic deformations in materials at realistic stresses, do not include surface properties. The latter are particularly important for the problems where the surface plays crucial role in the studied process, as for instance, in the case of plastic deformations at a nanovoid. In the current study by means of molecular dynamics (MD) and finite element simulations we analyse the stress distribution in single crystal copper containing a nanovoid buried deep under the surface. We have developed a methodology to incorporate the surface effects into the solid mechanics framework by utilizing elastic properties of crystals, pre-calculated using MD simulations. The method leads to computationally efficient stress calculations and can be easily implemented in commercially available finite element software, making it an attractive analysis tool.

  5. A discrete dislocation dynamics model of creeping single crystals

    Science.gov (United States)

    Rajaguru, M.; Keralavarma, S. M.

    2018-04-01

    Failure by creep is a design limiting issue for metallic materials used in several high temperature applications. Current theoretical models of creep are phenomenological with little connection to the underlying microscopic mechanisms. In this paper, a bottom-up simulation framework based on the discrete dislocation dynamics method is presented for dislocation creep aided by the diffusion of vacancies, known to be the rate controlling mechanism at high temperature and stress levels. The time evolution of the creep strain and the dislocation microstructure in a periodic unit cell of a nominally infinite single crystal is simulated using the kinetic Monte Carlo method, together with approximate constitutive laws formulated for the rates of thermal activation of dislocations over local pinning obstacles. The deformation of the crystal due to dislocation glide between individual thermal activation events is simulated using a standard dislocation dynamics algorithm, extended to account for constant stress periodic boundary conditions. Steady state creep conditions are obtained in the simulations with the predicted creep rates as a function of stress and temperature in good agreement with experimentally reported values. Arrhenius scaling of the creep rates as a function of temperature and power-law scaling with the applied stress are also reproduced, with the values of the power-law exponents in the high stress regime in good agreement with experiments.

  6. Optical properties of tungsten disulfide single crystals doped with gold

    International Nuclear Information System (INIS)

    Dumcenco, D.O.; Hsu, H.P.; Huang, Y.S.; Liang, C.H.; Tiong, K.K.; Du, C.H.

    2008-01-01

    Single crystals of WS 2 doped with gold have been grown by the chemical vapour transport method using iodine as a transporting agent. X-ray diffraction (XRD) pattern analysis revealed presence of mixed three-layer rhombohedral (3R) and two-layer hexagonal (2H) polytypes for the doped crystals while the undoped one shows only 2H form. Hall measurements indicate that the samples are p-type in nature. The doping effects of the materials are characterized by surface photovoltage (SPV), photoconductivity (PC) and piezoreflectance (PzR) measurements. Room temperature SPV and PC spectra reveal a feature located at ∼60 meV below the A exciton and has been tentatively assigned to be an impurity level caused by Au dopant. Excitonic transition energies of the A, B, d and C excitons detected in PzR spectra show red shift due to the presence of a small amount of Au and the broadening parameters of the excitonic transition features increase due to impurity scattering. The values of the parameters that describe the electron (exciton)-phonon interaction of excitonic transitions of A-B are about two times larger than that of d-C excitonic pairs. The possible assignments of the different origins of A-B and d-C excitonic pairs have been discussed

  7. IPNS time-of-flight single crystal diffractometer

    International Nuclear Information System (INIS)

    Schultz, A.J.; Teller, R.G.; Williams, J.M.

    1983-01-01

    The single crystal diffractometer (SCD) at the Argonne Intense Pulsed Neutron Source (IPNS) utilizes the time-of-flight (TOF) Laue technique to provide a three-dimensional sampling of reciprocal space during each pulse. The instrument contains a unique neutron position-sensitive 6 Li-glass scintillation detector with an active area of 30 x 30 cm. The three-dimensional nature of the data is very useful for fast, efficient measurement of Bragg intensities and for the studies of superlattice and diffuse scattering. The instrument was designed to achieve a resolution of 2% or better (R = δQ/Q) with 2 THETA > 60 0 and lambda > 0.7A

  8. Superconductivity in SrNi2P2 single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Ronning, Filip [Los Alamos National Laboratory; Bauer, Eric D [Los Alamos National Laboratory; Park, Tuscon [Los Alamos National Laboratory; Thompson, Joe D [Los Alamos National Laboratory

    2009-01-01

    Heat capacity, magnetic susceptibility, and resistivity of SrNi{sub 2}P{sub 2} single crystals are presented, illustrating the structural transition at 325 K, and bulk superconductivity at 1.4 K. The magnitude of {Tc}, fits to the heat capacity data, the small upper critical field H{sub c2} = 390 Oe, and {kappa} = 2.1 suggests a conventional fully gapped superconductor. With applied pressure we find that superconductivity persists into the so-called 'collapsed tetragonal' phase, although the transition temperature is monotonically suppressed with increasing pressure. This argues that reduced dimensionality can be a mechanism for increasing the transition temperatures of layered NiP, as well as layered FeAs and NiAs, superconductors.

  9. Quantum nernst effect in a bismuth single crystal

    International Nuclear Information System (INIS)

    Matsuo, M.; Endo, A.; Hatano, N.; Nakamura, H.; Shirasaki, R.; Sugihara, K.

    2009-07-01

    We calculate the phonon-drag contribution to the transverse (Nernst) thermoelectric power S yx in a bismuth single crystal subjected to a quantizing magnetic field. The calculated heights of the Nernst peaks originating from the hole Landau levels and their temperature dependence reproduce the right order of magnitude for those of the pronounced magneto-oscillations recently reported by Behnia et al. A striking experimental finding that S yx is much larger than the longitudinal (Seebeck) thermoelectric power S xx can be naturally explained as the effect of the phonon drag, combined with the well-known relation between the longitudinal and the Hall resistivity ρ xx >> |ρ yx | in a semi-metal bismuth. The calculation that includes the contribution of both holes and electrons suggests that some of the hitherto unexplained minor peaks located roughly at the fractional filling of the hole Landau levels are attributable to the electron Landau levels. (author)

  10. Shock compression experiments on Lithium Deuteride single crystals.

    Energy Technology Data Exchange (ETDEWEB)

    Knudson, Marcus D.; Desjarlais, Michael Paul; Lemke, Raymond W.

    2014-10-01

    S hock compression exper iments in the few hundred GPa (multi - Mabr) regime were performed on Lithium Deuteride (LiD) single crystals . This study utilized the high velocity flyer plate capability of the Sandia Z Machine to perform impact experiments at flyer plate velocities in the range of 17 - 32 km/s. Measurements included pressure, density, and temperature between %7E200 - 600 GPa along the Principal Hugoniot - the locus of end states achievable through compression by large amplitude shock waves - as well as pressure and density of re - shock states up to %7E900 GPa . The experimental measurements are compared with recent density functional theory calculations as well as a new tabular equation of state developed at Los Alamos National Labs.

  11. White beam synchrotron fractography of molybdenum and niobium single crystals

    International Nuclear Information System (INIS)

    Bilello, J.C.; Hmelo, A.B.

    1983-01-01

    It has been demonstrated that a White Beam Synchrotron reflection technique can be used to characterize the fracture surface of Mo and Nb single crystals. This technique when used in conjunction with Berg-Barrett (or in the future monochromatic synchrotron topography) gives detailed information which correlates the internal defect structure to the cleavage surface morphology. In particular, synchrotron fractography has revealed the full extent of the plastic zone associated with a precursor crack, has clearly identified the nature of the initial crack where more than one precursor could have existed, and give detailed information on the extent of twinning and microtwinning. In comparison with other fractography methods for such semi-brittle metals the White Beam Synchrotron method not only achieves rapid data collection, but also provides internal defect structure correlation non-destructively. (author)

  12. Trapped electrons in irradiated single crystals of polyhydroxy compounds

    International Nuclear Information System (INIS)

    Box, H.C.; Budzinski, E.E.; Freund, H.G.; Potter, W.R.

    1979-01-01

    The intermolecular trapping of electrons has been observed in single crystals of dulcitol and L(+) arabinose x-irradiated at 4.2 0 K. Attribution of a major component of the ESR absorption to trapped electrons is based upon the character of the hyperfine pattern, which arises from multiple anisotropic hyperfine interactions with exchangeable protons, and on the g value of the absorption, which is always less than the free spin value. The removal of the trapped electron absorption upon irradiation with visible light has also been demonstrated. In these experiments all of the electrons are trapped in identical sites. This circumstance provides some important advantages in the study of the factors affecting the stabilization of charge in an environment of polarizable molecules

  13. Growth of single-crystal YAG fiber optics.

    Science.gov (United States)

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

    2016-07-11

    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.

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

    Directory of Open Access Journals (Sweden)

    Mayara Munaretto

    2011-03-01

    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.

  15. Phonon interactions with methyl radicals in single crystals

    Directory of Open Access Journals (Sweden)

    James W. Wells

    2017-04-01

    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.

  16. Angular correlation of annihilation photons in ice single crystals

    DEFF Research Database (Denmark)

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

    1971-01-01

    -lattice vectors g⃗ on the direction perpendicular to the slits and the sample surface. The relative area of the central plus the side peaks was (15.2 ± 0.4)% for all curves. All the peaks are interpreted as due to parapositronium annihilation. The side peaks are explained as evidence for the positronium center......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 reciprocal...

  17. Effect of neutron irradiation on single crystal V3Si

    International Nuclear Information System (INIS)

    Viswanathan, R.; Caton, R.; Cox, D.E.; Guha, A.; Sarachik, M.P.; Smith, F.W.; Testardi, L.R.

    1977-01-01

    We We have investigated the effect of successive neutron irradiation up to a fluence of approximately 2 x 10 19 n/cm 2 , by measurements of heat capacity, susceptibility, resistivity, acoustic velocity and neutron diffraction in a single crystal V 3 Si. We find that for low level doses (phi t greater than or equal to 3.5 x 10 18 n/cm 2 ) (a) the structural transformation is very sensitive, whereas the suerconducting transition temperature, T/sub c/, is hardly affected, and (b) except for low temperature heat capacity, most of the other measurements show very little change. For the highest fluence of 2 x 10 19 n/cm 2 used to date, the T/sub c/ dropped to 7.5 K with large changes in the linear heat capacity coefficient, magnetic susceptibility and sound velocity. These results are discussed briefly in this paper

  18. Neutron radiation damage in NbO single crystals

    International Nuclear Information System (INIS)

    Onozuka, T.; Koiwa, M.; Ishikawa, Y.; Yamaguchi, S.; Hirabayashi, M.

    1977-01-01

    The effect of neutron irradiation and subsequent recovery has been studied for Nb0 single crystals of a defective NaCl structure containing 25% vacancies of niobium and oxygen. A very large increase (about 1%) in the lattice constant is observed after irradiation of 1.5 x 10 19 and 1 x 10 20 nvt (> 1 MeV). From the intensity measurements of x-ray and neutron diffraction, it is revealed that the knock-on atoms fill preferentially their respective vacant sites; Nb atoms occupy Nb-vacancies, and 0 atoms occupy 0-vacancies with nearly the same probabilities; 0.53 for 1.5 x 10 19 nvt. The mean threshold energy for displacement is estimated to be about 3 eV. (author)

  19. Diffusion of Ti in α-Zr single crystals

    International Nuclear Information System (INIS)

    Hood, G.M.; Zou, H.; Schultz, R.J.; Jackman, J.A.

    1994-11-01

    Ti diffusion coefficients (D) have been measured in nominally pure αZr single crystals (773-1124 K) in directions both parallel (D pa ) and perpendicular (D pe , few data) to the c-axis: tracer techniques and secondary ion mass spectrometry were used to determine the diffusion profiles. The results show a temperature dependence which suggests two regions of diffusion behaviour. Above 1035 K, region I, diffusion conforms to the expectations of intrinsic behaviour with normal Arrhenius law constants: D pa = 1.7 x 10 -3 exp(-2.93 ± 0.08 eV/kΤ) m 2 /s. Below 1035 K, region II, D's are enhanced with respect to an extrapolation of region I behaviour. The region II data are associated with extrinsic effects. (author). 13 refs., 1 tab., 3 figs

  20. Fishtail effect in twinned and detwinned YBCO single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Boudissa, M. [Universite Ferhat Abbas, Faculte des Sciences de l' Ingenieur, Setif (Algeria); Halimi, R. [Universite Mentouri, Unite de Recherche de Physique des Materiaux, Constantine (Algeria); Frikach, K.; Senoussi, S. [Universite Paris-Sud, Laboratoire de Physique des Solides, Orsay (France)

    2006-09-15

    We have studied the magnetization hysteresis loops of a twinned and detwinned single crystals in a temperature range between 4.2 and 100 K and a magnetic field (H) range between 0 and 6 T. We carried out relaxation measurements on the samples at different temperatures and magnetic fields. We investigated the twin pinning as a function of temperature (T) and the fishtail anomaly in the critical current density of the two samples. We tried in this study to confirm or infirm the different models which explain the fishtail effect by confronting them to our experimental results We found that the collective creep theory is consistent with the results of our experiment in the field region where the magnetization is at its minimum. This field marks a crossover between the small and large bundle pinning regimes. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  1. Fishtail effect in twinned and detwinned YBCO single crystals

    International Nuclear Information System (INIS)

    Boudissa, M.; Halimi, R.; Frikach, K.; Senoussi, S.

    2006-01-01

    We have studied the magnetization hysteresis loops of a twinned and detwinned single crystals in a temperature range between 4.2 and 100 K and a magnetic field (H) range between 0 and 6 T. We carried out relaxation measurements on the samples at different temperatures and magnetic fields. We investigated the twin pinning as a function of temperature (T) and the fishtail anomaly in the critical current density of the two samples. We tried in this study to confirm or infirm the different models which explain the fishtail effect by confronting them to our experimental results We found that the collective creep theory is consistent with the results of our experiment in the field region where the magnetization is at its minimum. This field marks a crossover between the small and large bundle pinning regimes. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  2. Optical absorption in gel grown cadmium tartrate single crystals

    International Nuclear Information System (INIS)

    Arora, S K; Kothari, A J; Patel, R G; Chauha, K M; Chudasama, B N

    2006-01-01

    Single crystals of cadmium tartrate pentahydrate (CTP) have been grown by the famous gel technique. The slow and controlled reaction between Cd 2+ and (C 4 H 4 O 6 ) 2- ions in silica hydrogel results in formation of the insoluble product, CdC 4 H 4 O 6 .5H 2 O. Optical absorption spectra have been recorded in the range 200 to 2500 nm. Fundamental absorption edge for electronic transition has been analyzed. The direct allowed transition is found to be present in the region of relatively higher photon energy. Analysis of the segments of α 1/2 versus hν graph has been made to separate individual contribution of phonons. The phonons involved in the indirect transition are found to correspond to 335 and 420 cm -1 . Scattering of charge carriers in the lattice is found due to acoustic phonons

  3. Radiation damage mechanisms in single crystals of creatine monohydrate

    International Nuclear Information System (INIS)

    Wells, J.W.; Ko, C.

    1978-01-01

    ENDOR spectroscopy is utilized to define the temperature dependent sequence of molecular fragmentation processes occuring in x-irradiated single crystals of creatine monohydrate. Two conformations of the primary reduction product =OOC--C(H 2 ) --N(CH) 3 --C(NH 2 ) 2 + are found to undergo a series of subtle changes before deamination. The resultant radical -OOC--CH 2 then induces hydrogen abstraction to form a final room temperature product - OOC--CH--N(CH 3 ) --C(NH 2 ) + . An unknown initial oxidation species is found to decarboxylate forming the radical H 2 C--N(CH 3 ) --C(NH 2 ) 2 + which, although similar to the deamination product, exists at room temperature. The stability of this species is attributed to a delocalization of spin indicated by calculation and measurement

  4. X-ray conductivity of ZnSe single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Degoda, V. Ya., E-mail: degoda@univ.kiev.ua; Podust, G. P. [Taras Shevchenko Kyiv National University, Physics Department (Ukraine)

    2016-05-15

    The experimental I–V and current–illuminance characteristics of the X-ray conductivity and X-ray luminescence of zinc-selenide single crystals feature a nonlinear shape. The performed theoretical analysis of the kinetics of the X-ray conductivity shows that even with the presence of shallow and deep traps for free charge carriers in a semiconductor sample, the integral characteristics of the X-ray conductivity (the current–illuminance and I–V dependences) should be linear. It is possible to assume that the nonlinearity experimentally obtained in the I–V and current–illuminance characteristics can be caused by features of the generation of free charge carriers upon X-ray irradiation, i.e., the generation of hundreds of thousands of free charge carriers of opposite sign in a local region with a diameter of <1 μm and Coulomb interaction between the free charge carriers of opposite signs.

  5. The characterization of tungsten disulfide single crystals doped with gold

    International Nuclear Information System (INIS)

    Dumcenco, D.O.; Huang, Y.S.; Tiong, K.K.; Liang, C.H.; Chen, C.H.

    2007-01-01

    Single crystals of WS 2 doped with gold (WS 2 :Au) have been grown by the chemical vapour transport method using iodine as a transporting agent. Hall measurements indicate that the samples are p-type in nature. The doping effect of the materials are characterized by conductivity, surface photovoltage and piezo reflectance measurements. The higher conductivity respect to that of the undoped one suggests that more charge carriers are available for conduction in the doped compound. The surface photovoltage spectrum reveals an impurity level located below the A exciton. The direct band-edge excitonic transition energies for WS 2 :Au show redshifts and the broadening parameters of the excitonic transition features increase due to impurity scattering. (authors)

  6. Comprehensive studies on irradiated single-crystal diamond sensors

    Energy Technology Data Exchange (ETDEWEB)

    Stegler, Martin [DESY, Zeuthen (Germany)

    2015-07-01

    Single-crystal diamond sensors are used as part of the Beam and Radiation Instrumentation and Luminosity (BRIL) projects of the CMS experiment. Due to an upgrade of the Fast Beam Conditions Monitor (BCM1F) these diamond sensors are exchanged and the irradiated ones are now used for comprehensive studies. Current over voltage (IV), current over time (CT) and charge collection efficiency (CCE) measurements were performed for a better understanding of the radiation damage incurred during operation and to compensate in the future. The effect of illumination with various light sources on the charge collection efficiency was investigated and led to interesting results. Intensity and wavelength of the light were varied for deeper insight of polarization effects.

  7. Photoinduced surface voltage mapping study for large perovskite single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xiaojing; Liu, Yucheng; Gao, Fei; Yang, Zhou [Key Laboratory of Applied Surface and Colloid Chemistry, National Ministry of Education, Shaanxi Engineering Laboratory for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi' an 710062 (China); Liu, Shengzhong, E-mail: liusz@snnu.edu.cn [Key Laboratory of Applied Surface and Colloid Chemistry, National Ministry of Education, Shaanxi Engineering Laboratory for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi' an 710062 (China); Dalian Institute of Chemical Physics, iChEM, Dalian National Laboratory for Clean Energy, Chinese Academy of Sciences, Dalian 116023 (China)

    2016-05-02

    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 CH{sub 3}NH{sub 3}PbX{sub 3} (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).

  8. Synthesis, growth, structural, optical, thermal, dielectric and mechanical studies of an organic guanidinium p-nitrophenolate crystal

    Science.gov (United States)

    Dhavamurthy, M.; Peramaiyan, G.; Mohan, R.

    2014-08-01

    Guanidinium p-nitrophenolate (GUNP), a novel organic compound, was synthesized and crystals were grown from methanol solution by a slow evaporation solution growth technique. A single crystal X-ray diffraction study elucidated the crystal structure of GUNP belonging to the orthorhombic crystal system with space group Pnma. Thermal studies revealed that the GUNP crystal is thermally stable up to 192 °C. The lower cut-off wavelength of GUNP was found to be 505 nm by UV-vis-NIR spectral studies. The luminescence properties of the GUNP crystal were investigated. The three independent tensor coefficients ε11, ε22 and ε33 of the dielectric permittivity were calculated. The mechanical properties of the grown crystal were studied by Vickers' microhardness hardness technique.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-05-23

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

  10. Isothermal equation of state of a lithium fluoride single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Kim, K.Y.

    1975-01-01

    An isothermal equation of state of a LiF single crystal was determined from length change measurements of the specimen as a function of hydrostatic pressure up to approximately 7 kbars at 28 to 41/sup 0/C. The length change was measured with an accuracy of approximately 500 A by using a Fabry Perot type He--Ne laser interferometer for a 1-m long specimen at temperatures constant to less than 0.002/sup 0/C. Several two- and three-parameter equations of state were used in analyzing the measured pressure-volume data. The computer fit for each equation of state determines not only the value of its parameters but also the standard deviations associated with them and one dependent variable, either pressure or volume. With the parameters determined, the equations of state are extrapolated to approximately 5 megabars in order to see discrepancies. Using the Born model of ionic solids, two equations of state were derived both from a power law potential and from an exponential form for the repulsive energy of alkali metal halides and used to fit the pressure-volume data of a LiF single crystal. They are also extrapolated to approximately 5 megabars. The Birch's two-parameter equation and the Grover, Getting, and Kennedy equation are indistinguishable from the two equations of state derived from the Born model for pressures approximately equal to or less than 800 kbars within +-20 kbars. The above four equations of state also fit closely the Pagannone and Drickamer static compression data, the Christian shock wave data, and the Kormer et al. shock wave data. The isothermal bulk modulus and its first pressure derivative at atmospheric pressure and 28.83/sup 0/C are 664.5 +- 0.5 kbars and 5.40 +- 0.18, respectively, in close agreement with those values ultrasonically measured by R. A. Miller and C. S. Smith. (auth)

  11. A discrete dislocation–transformation model for austenitic single crystals

    International Nuclear Information System (INIS)

    Shi, J; Turteltaub, S; Remmers, J J C; Van der Giessen, E

    2008-01-01

    A discrete model for analyzing the interaction between plastic flow and martensitic phase transformations is developed. The model is intended for simulating the microstructure evolution in a single crystal of austenite that transforms non-homogeneously into martensite. The plastic flow in the untransformed austenite is simulated using a plane-strain discrete dislocation model. The phase transformation is modeled via the nucleation and growth of discrete martensitic regions embedded in the austenitic single crystal. At each instant during loading, the coupled elasto-plasto-transformation problem is solved using the superposition of analytical solutions for the discrete dislocations and discrete transformation regions embedded in an infinite homogeneous medium and the numerical solution of a complementary problem used to enforce the actual boundary conditions and the heterogeneities in the medium. In order to describe the nucleation and growth of martensitic regions, a nucleation criterion and a kinetic law suitable for discrete regions are specified. The constitutive rules used in discrete dislocation simulations are supplemented with additional evolution rules to account for the phase transformation. To illustrate the basic features of the model, simulations of specimens under plane-strain uniaxial extension and contraction are analyzed. The simulations indicate that plastic flow reduces the average stress at which transformation begins, but it also reduces the transformation rate when compared with benchmark simulations without plasticity. Furthermore, due to local stress fluctuations caused by dislocations, martensitic systems can be activated even though transformation would not appear to be favorable based on the average stress. Conversely, the simulations indicate that the plastic hardening behavior is influenced by the reduction in the effective austenitic grain size due to the evolution of transformation. During cyclic simulations, the coupled plasticity

  12. Third order nonlinear optical properties of a paratellurite single crystal

    Science.gov (United States)

    Duclère, J.-R.; Hayakawa, T.; Roginskii, E. M.; Smirnov, M. B.; Mirgorodsky, A.; Couderc, V.; Masson, O.; Colas, M.; Noguera, O.; Rodriguez, V.; Thomas, P.

    2018-05-01

    The (a,b) plane angular dependence of the third-order nonlinear optical susceptibility, χ(3) , of a c-cut paratellurite (α-TeO2) single crystal was quantitatively evaluated here by the Z-scan technique, using a Ti:sapphire femtosecond laser operated at 800 nm. In particular, the mean value Re( ⟨χ(3)⟩a,b )(α-TeO2) of the optical tensor has been extracted from such experiments via a direct comparison with the data collected for a fused silica reference glass plate. A R e (⟨χ(3)⟩(a,b )(α-TeO2)):R e (χ(3))(SiO2 glass) ratio roughly equal to 49.1 is found, and our result compares thus very favourably with the unique experimental value (a ratio of ˜50) reported by Kim et al. [J. Am. Ceram. Soc. 76, 2486 (1993)] for a pure TeO2 glass. In addition, it is shown that the angular dependence of the phase modulation within the (a,b) plane can be fully understood in the light of the strong dextro-rotatory power known for TeO2 materials. Taking into account the optical activity, some analytical model serving to estimate the diagonal and non-diagonal components of the third order nonlinear susceptibility tensor has been thus developed. Finally, Re( χxxxx(3) ) and Re( χxxyy(3) ) values of 95.1 ×10-22 m 2/V2 and 42.0 ×10-22 m2/V2 , respectively, are then deduced for a paratellurite single crystal, considering fused silica as a reference.

  13. Single crystal diamond detectors grown by chemical vapor deposition

    International Nuclear Information System (INIS)

    Tuve, C.; Angelone, M.; Bellini, V.; Balducci, A.; Donato, M.G.; Faggio, G.; Marinelli, M.; Messina, G.; Milani, E.; Morgada, M.E.; Pillon, M.; Potenza, R.; Pucella, G.; Russo, G.; Santangelo, S.; Scoccia, M.; Sutera, C.; Tucciarone, A.; Verona-Rinati, G.

    2007-01-01

    The detection properties of heteropitaxial (polycrystalline, pCVD) and homoepitaxial (single crystal, scCVD) diamond films grown by microwave chemical vapor deposition (CVD) in the Laboratories of Roma 'Tor Vergata' University are reported. The pCVD diamond detectors were tested with α-particles from different sources and 12 C ions produced by 15MV Tandem accelerator at Southern National Laboratories (LNS) in Catania (Italy). pCVDs were also used to monitor 14MeV neutrons produced by the D-T plasma at Joint European Torus (JET), Culham, U.K. The limit of pCVDs is the poor energy resolution. To overcome this problem, we developed scCVD diamonds using the same reactor parameters that optimized pCVD diamonds. scCVD were grown on a low cost (100) HPHT single crystal substrate. A detector 110μm thick was tested under α-particles and under 14MeV neutron irradiation. The charge collection efficiency spectrum measured under irradiation with a triple α-particle source shows three clearly resolved peaks, with an energy resolution of about 1.1%. The measured spectra under neutron irradiation show a well separated C(n,α 0 ) 9 Be12 reaction peak with an energy spread of 0.5MeV for 14.8MeV neutrons and 0.3MeV for 14.1MeV neutrons, which are fully compatible with the energy spread of the incident neutron beams

  14. A dislocation-based crystal plasticity framework for dynamic ductile failure of single crystals

    Science.gov (United States)

    Nguyen, Thao; Luscher, D. J.; Wilkerson, J. W.

    2017-11-01

    A framework for dislocation-based viscoplasticity and dynamic ductile failure has been developed to model high strain rate deformation and damage in single crystals. The rate-dependence of the crystal plasticity formulation is based on the physics of relativistic dislocation kinetics suited for extremely high strain rates. The damage evolution is based on the dynamics of void growth, which are governed by both micro-inertia as well as dislocation kinetics and dislocation substructure evolution. An averaging scheme is proposed in order to approximate the evolution of the dislocation substructure in both the macroscale as well as its spatial distribution at the microscale. Additionally, a concept of a single equivalent dislocation density that effectively captures the collective influence of dislocation density on all active slip systems is proposed here. Together, these concepts and approximations enable the use of semi-analytic solutions for void growth dynamics developed in (Wilkerson and Ramesh, 2014), which greatly reduce the computational overhead that would otherwise be required. The resulting homogenized framework has been implemented into a commercially available finite element package, and a validation study against a suite of direct numerical simulations was carried out.

  15. Synthesis, crystal growth, optical, thermal, and mechanical properties of a nonlinear optical single crystal: ammonium sulfate hydrogen sulphamate (ASHS)

    Science.gov (United States)

    Sudhakar, K.; Nandhini, S.; Muniyappan, S.; Arumanayagam, T.; Vivek, P.; Murugakoothan, P.

    2018-04-01

    Ammonium sulfate hydrogen sulphamate (ASHS), an inorganic nonlinear optical crystal, was grown from the aqueous solution by slow evaporation solution growth technique. The single-crystal XRD confirms that the grown single crystal belongs to the orthorhombic system with the space group of Pna21. Powder XRD confirms the crystalline nature and the diffraction planes were indexed. Crystalline perfection of grown crystal was analysed by high-resolution X-ray diffraction rocking curve technique. UV-Vis-NIR studies revealed that ASHS crystal has optical transparency 65% and lower cut-off wavelength at 218 nm. The violet light emission of the crystal was identified by photoluminescence studies. The particle size-dependent second-harmonic generation efficiency for ASHS crystal was evaluated by Kurtz-Perry powder technique using Nd:YAG laser which established the existence of phase matching. Surface laser damage threshold value was evaluated using Nd:YAG laser. Optical homogeneity of the crystal was evaluated using modified channel spectrum method through birefringence study. Thermal analysis reveals that ASHS crystal is stable up to 213 °C. The mechanical behaviour of the ASHS crystal was analysed using Vickers microhardness study.

  16. Structure of cleaved (001) USb2 single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Shao-ping [Los Alamos National Laboratory; Hawley, Marilyn [Los Alamos National Laboratory; Bauer, Eric D [Los Alamos National Laboratory; Stockum, Phil B [STANFORD UNIV.; Manoharan, Hari C [STANFORD UNIV

    2009-01-01

    We have achieved what we believe to be the first atomic resolution STM images for a uranium compound taken at room temperature. The a, b, and c lattice parameters in the images confirm that the USb{sub 2} crystals cleave on the (001) basal plane as expected. The a and b dimensions were equal, with the atoms arranged in a cubic pattern. Our calculations indicate a symmetric cut between Sb planes to be the most favorable cleavage plane and U atoms to be responsible for most of the DOS measured by STM. Some strange features observed in the STM will be discussed in conjunction with ab initio calculations. The purpose of this work is to demonstrate the power of scanning tunneling microscopy (STM) techniques combined with a theoretical underpinning to determine the surface atomic structure and properties of actinide materials, such as the quasi 2-dimensional uranium dipnictide USb{sub 2} single crystal, thereby contributing to the understanding of their surface structural and electronic properties. The members of this interesting UX{sub 2} (X=P, As, Sb, Bi) series of compounds display dual localized and itinerant 5f electron behavior within the same compound due to the hybridization of the 5f orbitals with the conduction band. With the exception of UO{sub 2}, which has to be studied at elevated temperature to generate enough carriers for STM imaging, STM techniques have not been applied successfully to the characterization of the surface atomic structure of any other single crystal actinide compound, to the best of our knowledge. However, STM has been used to a limited extent for the study of some cerium compounds. STM probes electronic properties at the atomic level and can directly provide information about the local density of filled and empty states (LDOS) states simultaneously. A STM topograph provides the local atomic arrangement and spacing of the atoms on the surface, local defect structures (e.g. steps, vacancies, and kink sites) and the presence of contaminants

  17. Solid-state molecular organometallic chemistry. Single-crystal to single-crystal reactivity and catalysis with light hydrocarbon substrates.

    Science.gov (United States)

    Chadwick, F Mark; McKay, Alasdair I; Martinez-Martinez, Antonio J; Rees, Nicholas H; Krämer, Tobias; Macgregor, Stuart A; Weller, Andrew S

    2017-08-01

    Single-crystal to single-crystal solid/gas reactivity and catalysis starting from the precursor sigma-alkane complex [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(η 2 η 2 -NBA)][BAr F 4 ] (NBA = norbornane; Ar F = 3,5-(CF 3 ) 2 C 6 H 3 ) is reported. By adding ethene, propene and 1-butene to this precursor in solid/gas reactions the resulting alkene complexes [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(alkene) x ][BAr F 4 ] are formed. The ethene ( x = 2) complex, [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(ethene) 2 ][BAr F 4 ]-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(Cy 2 PCH 2 CH 2 PCy 2 )(ethene) 2 ][BAr F 4 ]-Hex , that has a hexagonal microporous structure ( P 6 3 22). The propene complex ( x = 1) [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(propene)][BAr F 4 ] is characterized as having a π-bound alkene with a supporting γ-agostic Rh···H 3 C 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 d 3 -propene, H 2 C 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111

  18. On structure of some laminated crystals with organic molecules

    International Nuclear Information System (INIS)

    Volodina, G.F.; Ivanova, V.Ya.; Malinovskij, T.I.

    1982-01-01

    A survey is made of papers dealing with intercalation of organic molecules into crystals of dihalcogenides of some transition metals (TaS 2 , TiS 2 , NbS 2 , ZrS 2 , TaSe 2 ), variation of their structure and physical properties. Among the used intercalates ammonia, pyridine, aniline and other aromatic amines proved to be most satisfactory from the viewpoint of reaction rate and product stability. A possibility is discussed of intercalation into PbI 2 and CdI 2 crystals that are of the same structural type as dihalcogenides

  19. Growth and characterization of isotopically enriched 70Ge and 74Ge single crystals

    International Nuclear Information System (INIS)

    Itoh, K.

    1992-10-01

    Isotopically enriched 70 Ge and 74 Ge single crystals were successfully gown by a newly developed vertical Bridgman method. The system allows us to reliably grow high purity Ge single crystals of approximately 1 cm 3 volume. To our knowledge, we have grown the first 70 Ge single crystal. The electrically active chemical impurity concentration for both crystals was found to be ∼2 x cm -3 which is two order of magnitude better that of 74 Ge crystals previously grown by two different groups. Isotopic enrichment of the 70 Ge and the 74 Ge crystals is 96.3% and 96.8%, respectively. The residual chemical impurities present in both crystals were identified as phosphorus, copper, aluminum, and indium. A wide variety of experiments which take advantage of the isotopic purity of our crystals are discussed

  20. Sample Size Induced Brittle-to-Ductile Transition of Single-Crystal Aluminum Nitride

    Science.gov (United States)

    2015-08-01

    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...Sample Size Induced Brittle-to- Ductile Transition of Single-Crystal Aluminum Nitride 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT

  1. Cryogenic Fluid Transfer Components Using Single Crystal Piezoelectric Actuators, Phase II

    Data.gov (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...

  2. Advanced Electroactive Single Crystal and Polymer Actuator Concepts for Passive Optics, Phase I

    Data.gov (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)...

  3. Cryogenic Fluid Transfer Components Using Single Crystal Piezoelectric Actuators, Phase I

    Data.gov (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...

  4. Detailed Investigation of the Structural, Thermal, and Electronic Properties of Gold Isocyanide Complexes with Mechano-Triggered Single-Crystal-to-Single-Crystal Phase Transitions.

    Science.gov (United States)

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

    2016-02-01

    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

  5. Electron irradiation effect on single crystal of niobium

    International Nuclear Information System (INIS)

    Otero, M.P.; Lucki, G.

    1984-01-01

    The effect of electron irradiation (900 KeV) on gliding dislocations of single crystal Nb with its tensile axe in the [941] orientation was observed for the in-situ deformation in a high voltage electron microscope (HVEM) at Argonne National Laboratory. The experimental was carried out by the 1 hour-electron irradiation with no stress applied. Straight dislocations actuating as sinks for the electron produced defects became helicoidal as the irradiation proceeded. Frenkel pairs were created in Nb for electron energies > = 650 KeV and, as the single vacancies do not undergo long-range migration in Nb at temperatures much below 620 K, the defects that are entrapped by the dislocations are self-interstitials produced by electron displacement. Applying the stress it was possible to observe that modified dislocations did not glide while the dislocations not affected by the irradiation are visibly in movement. This important result explains the neutron and electron-irradiation induced work-hardening effect for Nb that was previously observed. (Author) [pt

  6. Ion beam synthesis of buried single crystal erbium silicide

    International Nuclear Information System (INIS)

    Golanski, A.; Feenstra, R.; Galloway, M.D.; Park, J.L.; Pennycook, S.J.; Harmon, H.E.; White, C.W.

    1990-01-01

    High doses (10 16 --10 17 /cm 2 ) of 170 keV Er + were implanted into single-crystal left-angle 111 right-angle Si at implantation temperatures between 350 degree C and 520 degree C. Annealing at 800 degree C in vacuum following the implant, the growth and coalescence of ErSi 2 precipitates leads to a buried single crystalline ErSi 2 layer. This has been studied using Rutherford backscattering/channeling, X-ray diffraction, cross-sectional TEM and resistance versus temperature measurements. Samples implanted at 520 degree C using an Er dose of 7 x 10 16 /cm 2 and thermally annealed were subsequently used as seeds for the mesoepitaxial growth of the buried layer during a second implantation and annealing process. Growth occurs meso-epitaxially along both interfaces through beam induced, defect mediated mobility of Er atoms. The crystalline quality of the ErSi 2 layer strongly depends on the temperature during the second implantation. 12 refs., 4 figs

  7. Controllable synthesis of rice-shape Alq3 nanoparticles with single crystal structure

    Science.gov (United States)

    Xie, Wanfeng; Fan, Jihui; Song, Hui; Jiang, Feng; Yuan, Huimin; Wei, Zhixian; Ji, Ziwu; Pang, Zhiyong; Han, Shenghao

    2016-10-01

    We report the controllable growth of rice-shape nanoparticles of Alq3 by an extremely facile self-assembly approach. Possible mechanisms have been proposed to interpret the formation and controlled process of the single crystal nanoparticles. The field-emission performances (turn-on field 7 V μm-1, maximum current density 2.9 mA cm-2) indicate the potential application on miniaturized nano-optoelectronics devices of Alq3-based. This facile method can potentially be used for the controlled synthesis of other functional complexes and organic nanostructures.

  8. Radiation-electromagnetic effect in germanium single crystals

    International Nuclear Information System (INIS)

    Kikoin, I.K.; Kikoin, L.I.; Lazarev, S.D.

    1980-01-01

    An experimental study was made of the radiation-electromagnetic effect in germanium single crystals when excess carriers were generated by bombardment with α particles, protons, or x rays in magnetic fields up to 8 kOe. The source of α particles and protons was a cyclotron and x rays were provided by a tube with a copper anode. The radiation-electromagnetic emf increased linearly on increase in the magnetic field and was directly proportional to the flux of charged particles at low values of the flux, reaching saturation at high values of the flux (approx.5 x 10 11 particles .cm -2 .sec -1 ). In the energy range 4--40 MeV the emf was practically independent of the α-particle energy. The sign of the emf was reversed when samples with a ground front surface were irradiated. Measurements of the photoelectromagnetic and Hall effects in the α-particle-irradiated samples showed that a p-n junction was produced by these particles and its presence should be allowed for in investigations of the radiation-electromagnetic effect. The measured even radiation-electromagnetic emf increased quadratically on increase in the magnetic field. An investigation was made of the barrier radiation-voltaic effect (when the emf was measured between the irradiated and unirradiated surfaces). Special masks were used to produce a set of consecutive p-n junctions in germanium crystals irradiated with α particles. A study of the photovoltaic and photoelectromagnetic effects in such samples showed that the method could be used to increase the efficiency of devices utilizing the photoelectromagnetic effect

  9. Single-crystal elastic constants of natural ettringite

    KAUST Repository

    Speziale, Sergio

    2008-07-01

    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.

  10. Single-crystal elastic constants of natural ettringite

    KAUST Repository

    Speziale, Sergio; Jiang, Fuming; Mao, Zhu; Monteiro, Paulo J.M.; Wenk, Hans-Rudolf; Duffy, Thomas S.; Schilling, Frank R.

    2008-01-01

    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. Crystal morphology variation in inkjet-printed organic materials

    Science.gov (United States)

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

    2011-11-01

    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.

  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: professormohan@yahoo.co.in

    2008-06-15

    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. Study of the possibility of growing germanium single crystals under low temperature gradients

    Science.gov (United States)

    Moskovskih, V. A.; Kasimkin, P. V.; Shlegel, V. N.; Vasiliev, Y. V.; Gridchin, V. A.; Podkopaev, O. I.; Zhdankov, V. N.

    2014-03-01

    The possibility of growing germanium single crystals under low temperature gradients in order to produce a dislocation-free material has been studied. Germanium crystals with a dislocation density of about 100-200 cm-2 have been grown in a system with a weight control of crystal growth at maximum axial gradients of about 1.5 K/cm.

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

    International Nuclear Information System (INIS)

    Zhuang, Zhi; Yoshimura, Hideyuki; Aizawa, Mamoru

    2013-01-01

    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

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

    Energy Technology Data Exchange (ETDEWEB)

    Zhuang, Zhi, E-mail: zhuang@meiji.ac.jp [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: hyoshi@isc.meiji.ac.jp [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: mamorua@isc.meiji.ac.jp [Department of Applied Chemistry, School of Science and Technology, Meiji University, 1-1-1 Higashimita, Tama-ku, Kawasaki, Kanagawa 214-8571 (Japan)

    2013-07-01

    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.

  16. Crystal step edges can trap electrons on the surfaces of n-type organic semiconductors.

    Science.gov (United States)

    He, Tao; Wu, Yanfei; D'Avino, Gabriele; Schmidt, Elliot; Stolte, Matthias; Cornil, Jérôme; Beljonne, David; Ruden, P Paul; Würthner, Frank; Frisbie, C Daniel

    2018-05-30

    Understanding relationships between microstructure and electrical transport is an important goal for the materials science of organic semiconductors. Combining high-resolution surface potential mapping by scanning Kelvin probe microscopy (SKPM) with systematic field effect transport measurements, we show that step edges can trap electrons on the surfaces of single crystal organic semiconductors. n-type organic semiconductor crystals exhibiting positive step edge surface potentials display threshold voltages that increase and carrier mobilities that decrease with increasing step density, characteristic of trapping, whereas crystals that do not have positive step edge surface potentials do not have strongly step density dependent transport. A device model and microelectrostatics calculations suggest that trapping can be intrinsic to step edges for crystals of molecules with polar substituents. The results provide a unique example of a specific microstructure-charge trapping relationship and highlight the utility of surface potential imaging in combination with transport measurements as a productive strategy for uncovering microscopic structure-property relationships in organic semiconductors.

  17. The density and compositional analysis of titanium doped sapphire single crystal grown by the Czocharlski method

    Science.gov (United States)

    Kusuma, H. H.; Ibrahim, Z.; Othaman, Z.

    2018-03-01

    Titanium doped sapphire (Ti:Al2O3) crystal has attracted attention not only as beautiful gemstones, but also due to their applications as high power laser action. It is very important crystal for tunable solid state laser. Ti:Al2O3 crystals have been success grown using the Czocharlski method with automatic diameter control (ADC) system. The crystals were grown with different pull rates. The structure of the crystal was characterized with X-Ray Diffraction (XRD). The density of the crystal was measurement based on the Archimedes principle and the chemical composition of the crystal was confirmed by the Energy Dispersive X-ray (EDX) Spectroscopy. The XRD patterns of crystals are showed single main peak with a high intensity. Its shows that the samples are single crystal. The Ti:Al2O3 grown with different pull rate will affect the distribution of the concentration of dopant Ti3+ and densities on the sapphire crystals boules as well on the crystal growth process. The increment of the pull rate will increase the percentage distribution of Ti3+ and on the densities of the Ti:Al2O3 crystal boules. This may be attributed to the speed factor of the pull rate of the crystal that then caused changes in the heat flow in the furnace and then causes the homogeneities is changed of species distribution of atoms along crystal.

  18. Effect of Chain Conformation on the Single-Molecule Melting Force in Polymer Single Crystals: Steered Molecular Dynamics Simulations Study.

    Science.gov (United States)

    Feng, Wei; Wang, Zhigang; Zhang, Wenke

    2017-02-28

    Understanding the relationship between polymer chain conformation as well as the chain composition within the single crystal and the mechanical properties of the corresponding single polymer chain will facilitate the rational design of high performance polymer materials. Here three model systems of polymer single crystals, namely poly(ethylene oxide) (PEO), polyethylene (PE), and nylon-66 (PA66) have been chosen to study the effects of chain conformation, helical (PEO) versus planar zigzag conformation (PE, PA66), and chain composition (PE versus PA66) on the mechanical properties of a single polymer chain. To do that, steered molecular dynamics simulations were performed on those polymer single crystals by pulling individual polymer chains out of the crystals. Our results show that the patterns of force-extension curve as well as the chain moving mode are closely related to the conformation of the polymer chain in the single crystal. In addition, hydrogen bonds can enhance greatly the force required to stretch the polymer chain out of the single crystal. The dynamic breaking and reformation of multivalent hydrogen bonds have been observed for the first time in PA66 at the single molecule level.

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

    Science.gov (United States)

    Renugadevi, R.; Kesavasamy, R.

    2015-09-01

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

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

    International Nuclear Information System (INIS)

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

    2006-01-01

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

  1. Electrolytic coloration and spectral properties of hydroxyl-doped potassium chloride single crystals

    International Nuclear Information System (INIS)

    Gu Hongen; Wu Yanru

    2011-01-01

    Hydroxyl-doped potassium chloride single crystals are colored electrolytically at various temperatures and voltages using a pointed cathode and a flat anode. Characteristic OH - spectral band is observed in the absorption spectrum of uncolored single crystal. Characteristic O - , OH - , U, V 2 , V 3 , O 2- -V a + , F, R 2 and M spectral bands are observed simultaneously in absorption spectra of colored single crystals. Current-time curve for electrolytic coloration of hydroxyl-doped potassium chloride single crystal and its relationship with electrolytic coloration process are given. Production and conversion of color centers are explained. - Highlights: → Expanded the traditional electrolysis method. → Hydroxyl-doped potassium chloride crystals were colored electrolytically for the first time. → Useful V, F and F-aggregate color centers were produced in colored crystals. → V color centers were produced directly and F and F-aggregate color centers indirectly.

  2. 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: anbu24663@yahoo.co.in [Department of Nuclear Physics, University of Madras, Chennai 600025 (India)

    2017-05-01

    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

  3. Capillarity creates single-crystal calcite nanowires from amorphous calcium carbonate.

    Science.gov (United States)

    Kim, Yi-Yeoun; Hetherington, Nicola B J; Noel, Elizabeth H; Kröger, Roland; Charnock, John M; Christenson, Hugo K; Meldrum, Fiona C

    2011-12-23

    Single-crystal calcite nanowires are formed by crystallization of morphologically equivalent amorphous calcium carbonate (ACC) particles within the pores of track etch membranes. The polyaspartic acid stabilized ACC is drawn into the membrane pores by capillary action, and the single-crystal nature of the nanowires is attributed to the limited contact of the intramembrane ACC particle with the bulk solution. The reaction environment then supports transformation to a single-crystal product. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Thermal, mechanical, optical and dielectric properties of piperazinium hydrogen phosphite monohydrate NLO single crystal

    Science.gov (United States)

    Rajkumar, R.; Praveen Kumar, P.

    2018-05-01

    Optical transparent crystal of piperazinium hydrogen phosphite monohydrate (PHPM) was grown by slow evaporation method. The grown crystal was characterized by single crystal X-ray diffraction analysis and the crystal belongs to monoclinic system. The functional groups present in PHPM crystal were confirmed by FTIR analysis. UV-Visible spectrum shows that the PHPM crystal is transparent in the visible region. The mechanical behavior of PHPM crystal was characterized by Vickers hardness test. Thermal stability of PHPM crystal was analyzed by thermogravimetric analysis. Dielectric studies were also carried out for the grown crystal. The third-order nonlinear parameters such as nonlinear refractive index and nonlinear absorption coefficient have been calculated using Z scan technique.

  5. Mechanical properties of low temperature proton irradiated single crystal copper

    International Nuclear Information System (INIS)

    Schildcrout, M.

    1975-01-01

    Single crystal copper samples, of varying degrees of cold work, were irradiated near either liquid helium or liquid nitrogen temperature by 10.1-MeV protons. The internal friction and dynamic Young's modulus were observed as a function of either temperature or integrated proton flux. The primary effect of irradiation was to produce dislocation pinning. The initial pinning rate was found to be very sensitive to cold work. During irradiation it was found that heavily cold worked samples (25 percent compression) exhibited, almost exclusively, exponential pinning given by Y = e/sup --lambda phi/. This is attributed to the immobilization, rather than shortening, of loop lengths and is characterized by the pinning constant lambda. Exponential pinning was also found, to a smaller degree, in less heavily cold worked samples. Cold work appears to reduce the ''effective volume'' within which the defect clusters produced by irradiation, can immobilize dislocation segments. The bulk effect was observed after dislocation pinning was completed. Expressed in terms of the fractional change in Young's modulus per unit concentration of irradiation induced defects, it was measured at liquid helium temperature to be --18.5 +- 3. An anelastic process occurring near 10 0 K for low kHz frequencies and due to stress-induced ordering of point defects produced by irradiation has also been studied. The peak height per unit fluence was found to decrease with increasing cold work. The peak was not observed in samples compressed 25 percent. For the most carefully handled sample the activation energy was (1.28 +- 0.05) x 10 -2 eV, the attempt frequency was 10/sup 11.6 +- .8/ s -1 , the shape factor was 0.20, and the half width of the peak was 11 percent larger than the theoretical value calculated from the Debye equation for a single relaxation process

  6. Design of tunable surface mode waveguide based on photonic crystal composite structure using organic liquid*

    International Nuclear Information System (INIS)

    Zhang Lan-Lan; Liu Wei; Li Ping; Yang Xi; Cao Xu

    2017-01-01

    With the method of replacing the surface layer of photonic crystal with tubes, a novel photonic crystal composite structure used as a tunable surface mode waveguide is designed. The tubes support tunable surface states. The tunable propagation capabilities of the structure are investigated by using the finite-difference time-domain. Simulation results show that the beam transmission distributions of the composite structure are sensitive to the frequency range of incident light and the surface morphology which can be modified by filling the tubes with different organic liquids. By adjusting the filler in tubes, the T-shaped, Y-shaped, and L-shaped propagations can be realized. The property can be applied to the tunable surface mode waveguide. Compared with a traditional single function photonic crystal waveguide, our designed structure not only has a small size, but also is a tunable device. (paper)

  7. Buckling of Single-Crystal Silicon Nanolines under Indentation

    Directory of Open Access Journals (Sweden)

    Min K. Kang

    2008-01-01

    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.

  8. Plastic deformation of cubic zirconia single crystals at 1400 C

    International Nuclear Information System (INIS)

    Baufeld, B.; Baither, D.; Bartsch, M.; Messerschmidt, U.

    1998-01-01

    Cubic zirconia single crystals stabilized with 11 mol% yttria were deformed in air at 1400 C and around 1200 C at different strain rates along [1 anti 12] and [100] compression directions. The strain rate sensitivity of the flow stress was determined by strain rate cycling and stress relaxation tests. The microstructure of the deformed specimens was investigated by transmission high-voltage electron microscopy, including contrast extinction analysis for determining the Burgers vectors as well as stereo pairs and wide-angle tilting experiments to find the active slip planes. At deformation along [1 anti 12], the primary and secondary slip planes are of {100} type. Previous experiments had shown that the dislocations move easily on these planes in an athermal way. During deformation along [100], mainly dislocations on {100} planes are activated, which move in a viscous way by the aid of thermal activation. The discussion of the different deformation behaviours during deformation along [1 anti 12] and [100] is based on the different dynamic properties of dislocations and the fact that recovery is an essential feature of the deformation of cubic zirconia at 1400 C. The results on the shape of the deformation curve and the strain rate sensitivity of the flow stress are partly at variance with those of previous authors. (orig.)

  9. Thermal neutron scattering kernels for sapphire and silicon single crystals

    International Nuclear Information System (INIS)

    Cantargi, F.; Granada, J.R.; Mayer, R.E.

    2015-01-01

    Highlights: • Thermal cross section libraries for sapphire and silicon single crystals were generated. • Debye model was used to represent the vibrational frequency spectra to feed the NJOY code. • Sapphire total cross section was measured at Centro Atómico Bariloche. • Cross section libraries were validated with experimental data available. - Abstract: Sapphire and silicon are materials usually employed as filters in facilities with thermal neutron beams. Due to the lack of the corresponding thermal cross section libraries for those materials, necessary in calculations performed in order to optimize beams for specific applications, here we present the generation of new thermal neutron scattering kernels for those materials. The Debye model was used in both cases to represent the vibrational frequency spectra required to feed the NJOY nuclear data processing system in order to produce the corresponding libraries in ENDF and ACE format. These libraries were validated with available experimental data, some from the literature and others obtained at the pulsed neutron source at Centro Atómico Bariloche

  10. The neutron transmission of single crystal MgO filters

    International Nuclear Information System (INIS)

    Carpenter, J.M.; Hilleke, R.O.

    1989-01-01

    We have measured and analyzed the wavelength dependence of the transmission probability of a beam of neutrons passing through a single crystal MgO filter at 77 K. The 12.7 cm filter transmits 70% or more of the incident beam at wavelengths greater than about 1.8 A. At shorter wavelengths the transmission probability drops sharply, with 50% transmission occurring at about 1.2 A, and 1% transmission for the range 0.1-0.4 A. We have determined that cooling the filter to 77 K improves the transmission of >1 A neutrons, while further cooling to 25 K shows little additional improvement, and no improvement for short wavelengths. We have identified the wavelengths of the sharp dips in the transmission found in this region caused by Bragg scattering in MgO. We also show how these peaks may be used to calibrate the wavelength scale of time-of-flight measurements taken on instruments using similar filters. (orig.)

  11. Polymorphic transitions in single crystals: A new molecular dynamics method

    Energy Technology Data Exchange (ETDEWEB)

    Parrinello, M.; Rahman, A.

    1981-12-01

    A new Lagrangian formulation is introduced. It can be used to make molecular dynamics (MD) calculations on systems under the most general, externally applied, conditions of stress. In this formulation the MD cell shape and size can change according to dynamical equations given by this Lagrangian. This new MD technique is well suited to the study of structural transformations in solids under external stress and at finite temperature. As an example of the use of this technique we show how a single crystal of Ni behaves under uniform uniaxial compressive and tensile loads. This work confirms some of the results of static (i.e., zero temperature) calculations reported in the literature. We also show that some results regarding the stress-strain relation obtained by static calculations are invalid at finite temperature. We find that, under compressive loading, our model of Ni shows a bifurcation in its stress-strain relation; this bifurcation provides a link in configuration space between cubic and hexagonal close packing. It is suggested that such a transformation could perhaps be observed experimentally under extreme conditions of shock.

  12. The CCP14 for single crystal and powder diffraction

    International Nuclear Information System (INIS)

    Cranswick, L.M.D.

    1999-01-01

    Full text: The Collaborative Computation Project Number 14 for Single Crystal and Powder Diffraction (CCP14) is continuing in its objective to provide freely available software and resources for the powder diffraction and crystallographic community. Using the Internet and World Wide Web, we are presently compiling software and web resources, creating tutorials and help files. It also endeavours to encourage and provide resources to assist program authors with developing their software. The CCP14 presently has its web-site at and a mirror at (at CSIRO, Melbourne, Australia). Auto web-mirroring is being implemented to allow users to obtain software and access to resources in a more time effective manner. For people in countries isolated from the Internet, the CCP14 on CD-ROM can be snail mailed on request. This is in the form of a Virtual World Wide Web/Virtual Internet; in the same vein as the existing Crystallographic Nexus CD-ROM. Copyright (1999) Australian X-ray Analytical Association Inc

  13. Analysis of ripple formation in single crystal spot welds

    Energy Technology Data Exchange (ETDEWEB)

    Rappaz, M. [Ecole Polytechnique Federale de Lausanne (Switzerland). Lab de Metallurgie Physique; Corrigan, D.; Boatner, L.A. [Oak Ridge National Lab., TN (United States). Solid State Div.

    1997-10-01

    Stationary spot welds have been made at the (001) surface of Fe-l5%Ni-15%Cr single crystals using a Gas Tungsten Arc (GTA). On the top surface of the spot welds, very regular and concentric ripples were observed after solidification by differential interference color microscopy. Their height (typically 1--5 {micro}m) and spacing (typically {approximately} 60 {micro}m) decreased with the radius of the pool. These ripples were successfully accounted for in terms of capillary-wave theory using the fundamental mode frequency f{sub 0} given by the first zero of the zero-order Bessel function. The spacing d between the ripples was then equated to v{sub s}/f{sub 0}, where v{sub s} is the solidification rate. From the measured ripple spacing, the velocity of the pool was deduced as a function of the radius, and this velocity was in good agreement with the results of a heat-flow simulation.

  14. High temperature microhardness of ZrB2 single crystals

    International Nuclear Information System (INIS)

    Yi Xuan; Chen Chunhua; Otani, Shigeki

    2002-01-01

    Vickers microhardness of (0001), (101-bar 0) and (112-bar 0) planes of ZrB 2 single crystal prepared by the floating zone method has been investigated at various temperatures and loading times. As the temperature increases from 25 deg. C to 1000 deg. C, hardness drops from ∼20.9 GN m -2 of all planes to ∼7.85 GN m -2 for (0001) plane and ∼4.91 GN m -2 for (101-bar 0) and (112-bar 0) planes. The hardness of (101-bar 0) and (112-bar 0) planes exhibits almost same tendency and is always lower than that of (0001) plane by about 35%. The thermal softening coefficients of all three planes strongly depends on the temperature range with clear inflections at 400 deg. C and 700 deg. C. The loading time dependence of hardness is used to calculate the activation energy for creep. In addition, a relationship was found that shows the variation of hardness with temperature to be proportional to the variation with the loading time in a specific temperature range. (rapid communication)

  15. Ge-Au eutectic bonding of Ge (100) single crystals

    International Nuclear Information System (INIS)

    Knowlton, W.B.; Beeman, J.W.; Emes, J.H.; Loretto, D.; Itoh, K.M.; Haller, E.E.

    1993-01-01

    The author present preliminary results on the eutectic bonding between two (100) Ge single crystal surfaces using thin films of Au ranging from 900 angstrom/surface to 300 angstrom/surface and Pd (10% the thickness of Au). Following bonding, plan view optical microscopy (OM) of the cleaved interface of samples with Au thicknesses ≤ 500 angstrom/surface show a eutectic morphology more conducive to phonon transmission through the bond interface. High resolution transmission electron microscopy (HRTEM) cross sectional interface studies of a 300 angstrom/surface Au sample show epitaxial growth of Ge. In sections of the bond, lattice continuity of the Ge is apparent through the interface. TEM studies also reveal heteroepitaxial growth of Au with a Au-Ge lattice mismatch of less than 2%. Eutectic bonds with 200 angstrom/surface Au have been attained with characterization pending. An optical polishing technique for Ge has been optimized to insure intimate contact between the Ge surfaces prior to bonding. Interferometry analysis of the optically polished Ge surface shows that surface height fluctuations lie within ±150 angstrom across an interval of lmm. Characterization of phonon transmission through the interface is discussed with respect to low temperature detection of ballistic phonons

  16. DEVELOPMENT OF PROTECTIVE COATINGS FOR SINGLE CRYSTAL TURBINE BLADES

    Energy Technology Data Exchange (ETDEWEB)

    Amarendra K. Rai

    2006-12-04

    Turbine blades in coal derived syngas systems are subject to oxidation and corrosion due to high steam temperature and pressure. Thermal barrier coatings (TBCs) are developed to address these problems. The emphasis is on prime-reliant design and a better coating architecture, having high temperature and corrosion resistance properties for turbine blades. In Phase I, UES Inc. proposed to develop, characterize and optimize a prime reliant TBC system, having smooth and defect-free NiCoCrAlY bond layer and a defect free oxide sublayer, using a filtered arc technology. Phase I work demonstrated the deposition of highly dense, smooth and defect free NiCoCrAlY bond coat on a single crystal CMSX-4 substrate and the deposition of alpha-alumina and yttrium aluminum garnet (YAG) sublayer on top of the bond coat. Isothermal and cyclic oxidation test and pre- and post-characterization of these layers, in Phase I work, (with and without top TBC layer of commercial EB PVD YSZ) revealed significant performance enhancement.

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

    KAUST Repository

    Pramana, Stevin S.

    2017-03-02

    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.

  18. Thermal diffusion boron doping of single-crystal natural diamond

    Energy Technology Data Exchange (ETDEWEB)

    Seo, Jung-Hun; Mikael, Solomon; Mi, Hongyi; Venkataramanan, Giri; Ma, Zhenqiang, E-mail: mazq@engr.wisc.edu [Department of Electrical and Computer Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706 (United States); Wu, Henry; Morgan, Dane [Department of Materials Science and Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706 (United States); Blanchard, James P. [Department of Nuclear Engineering and Engineering Physics, University of Wisconsin-Madison, Madison, Wisconsin 53706 (United States); Zhou, Weidong [Department of Electrical Engineering, NanoFAB Center, University of Texas at Arlington, Arlington, Texas 76019 (United States); Gong, Shaoqin [Department of Biomedical Engineering and Wisconsin Institute for Discovery, University of Wisconsin-Madison, Madison, Wisconsin 53706 (United States)

    2016-05-28

    With the best overall electronic and thermal properties, single crystal diamond (SCD) is the extreme wide bandgap material that is expected to revolutionize power electronics and radio-frequency electronics in the future. However, turning SCD into useful semiconductors requires overcoming doping challenges, as conventional substitutional doping techniques, such as thermal diffusion and ion implantation, are not easily applicable to SCD. Here we report a simple and easily accessible doping strategy demonstrating that electrically activated, substitutional doping in SCD without inducing graphitization transition or lattice damage can be readily realized with thermal diffusion at relatively low temperatures by using heavily doped Si nanomembranes as a unique dopant carrying medium. Atomistic simulations elucidate a vacancy exchange boron doping mechanism that occurs at the bonded interface between Si and diamond. We further demonstrate selectively doped high voltage diodes and half-wave rectifier circuits using such doped SCD. Our new doping strategy has established a reachable path toward using SCDs for future high voltage power conversion systems and for other novel diamond based electronic devices. The novel doping mechanism may find its critical use in other wide bandgap semiconductors.

  19. Thermal diffusion boron doping of single-crystal natural diamond

    International Nuclear Information System (INIS)

    Seo, Jung-Hun; Mikael, Solomon; Mi, Hongyi; Venkataramanan, Giri; Ma, Zhenqiang; Wu, Henry; Morgan, Dane; Blanchard, James P.; Zhou, Weidong; Gong, Shaoqin

    2016-01-01

    With the best overall electronic and thermal properties, single crystal diamond (SCD) is the extreme wide bandgap material that is expected to revolutionize power electronics and radio-frequency electronics in the future. However, turning SCD into useful semiconductors requires overcoming doping challenges, as conventional substitutional doping techniques, such as thermal diffusion and ion implantation, are not easily applicable to SCD. Here we report a simple and easily accessible doping strategy demonstrating that electrically activated, substitutional doping in SCD without inducing graphitization transition or lattice damage can be readily realized with thermal diffusion at relatively low temperatures by using heavily doped Si nanomembranes as a unique dopant carrying medium. Atomistic simulations elucidate a vacancy exchange boron doping mechanism that occurs at the bonded interface between Si and diamond. We further demonstrate selectively doped high voltage diodes and half-wave rectifier circuits using such doped SCD. Our new doping strategy has established a reachable path toward using SCDs for future high voltage power conversion systems and for other novel diamond based electronic devices. The novel doping mechanism may find its critical use in other wide bandgap semiconductors.

  20. Reduction of precursor decay anomaly in single crystal lithium fluoride

    Science.gov (United States)

    Sano, Yukio

    2000-08-01

    The purpose of this study is to reveal that the precursor decay anomaly in single crystal lithium fluoride is reduced by Sano's decay curve [Y. Sano, J. Appl. Phys. 85, 7616 (1999)], which is much smaller in slope than Asay's decay curve [J. R. Asay, G. R. Fowles, G. E. Duvall, M. H. Miles, and R. F. Tinder, J. Appl. Phys. 43, 2132 (1972)]. To this end, strain, particle, velocity, and stress in a precursor and near the leading edge of the follower changing with time along Sano's decay curve are first analyzed quantitatively. The analysis verified the existence of degenerate contraction waves I and II and a subrarefaction wave R', and the decay process [Y. Sano, J. Appl. Phys. 77, 3746 (1995)] caused in sequence by evolving followers C, I, II, R', Rb. Next, inequalities relating decay rates qualitatively to plastic strain rates at the leading edge of the follower, which are derived using the properties of the followers, are incorporated into the analysis. Calculation results showed that the plastic strain rates were reduced by low decay rates. This indicates that the precursor decay anomaly might be greatly reduced by Sano's decay curve.

  1. Polymorphic transitions in single crystals: A new molecular dynamics method

    International Nuclear Information System (INIS)

    Parrinello, M.; Rahman, A.

    1981-01-01

    A new Lagrangian formulation is introduced. It can be used to make molecular dynamics (MD) calculations on systems under the most general, externally applied, conditions of stress. In this formulation the MD cell shape and size can change according to dynamical equations given by this Lagrangian. This new MD technique is well suited to the study of structural transformations in solids under external stress and at finite temperature. As an example of the use of this technique we show how a single crystal of Ni behaves under uniform uniaxial compressive and tensile loads. This work confirms some of the results of static (i.e., zero temperature) calculations reported in the literature. We also show that some results regarding the stress-strain relation obtained by static calculations are invalid at finite temperature. We find that, under compressive loading, our model of Ni shows a bifurcation in its stress-strain relation; this bifurcation provides a link in configuration space between cubic and hexagonal close packing. It is suggested that such a transformation could perhaps be observed experimentally under extreme conditions of shock

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

    Directory of Open Access Journals (Sweden)

    Koji Kosai

    2017-11-01

    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.

  3. Growth, structural, optical and surface analysis of piperazinium tartrate: A NLO single crystal

    Science.gov (United States)

    Gupta, Apurva; Raseel Rahman M., K.; Nair, Lekha

    2018-05-01

    Single crystal of piperazinium tartrate (PPZT) was grown by the slow evaporation solution growth technique at room temperature. Crystallinity of grown crystal was examined by powder X-ray diffraction. High transparency and wide band gap were observed in the UV-Visible spectroscopic studies. Intense and broad emissions were observed in the blue region, as that is indicated by photoluminescence spectroscopy. The quality of the grown PPZT single crystals were analyzed by the etching studies using the water as the etchant.

  4. Growth of single crystals from solutions using semi-permeable membranes

    Science.gov (United States)

    Varkey, A. J.; Okeke, C. E.

    1983-05-01

    A technique suitable for growth of single crystals from solutions using semi-preamble membranes is described. Using this technique single crystals of copper sulphate, potassium bromide and ammonium dihydrogen phosphate have been successfully grown. Advantages of this technique over other methods are discussed.

  5. Growth and study of some gel grown group II single crystals of iodate

    Indian Academy of Sciences (India)

    Unknown

    Abstract. Single crystals of calcium iodate and barium iodate were grown by simple gel technique by single diffusion method. The optimum conditions were established by varying various parameters such as pH of gel solution, gel concentration, gel setting time, concentration of the reactants etc. Crystals having different.

  6. Probing the crossover in CO desorption from single crystal to nanoparticulate Ru model catalysts

    DEFF Research Database (Denmark)

    Murphy, Shane; Strebel, Christian Ejersbo; Vendelbo, Søren Bastholm

    2011-01-01

    Crossover in CO desorption behavior and nanoscale structure probed with STM from ruthenium single crystals to PVD and mass-selected nanoparticles.......Crossover in CO desorption behavior and nanoscale structure probed with STM from ruthenium single crystals to PVD and mass-selected nanoparticles....

  7. Unidirectional growth and characterization of L-arginine monohydrochloride monohydrate single crystals

    International Nuclear Information System (INIS)

    Sangeetha, K.; Babu, R. Ramesh; Bhagavannarayana, G.; Ramamurthi, K.

    2011-01-01

    Highlights: → L-Arginine monohydrochloride monohydrate (LAHCl) single crystal was grown successfully by unidirectional solution growth method for the first time. → High crystalline perfection was observed for UDS grown crystal compared to CS grown crystal. → The optical transparency and mechanical stability are high for UDS grown LAHCl single crystal. → Optical birefringence measurement on this material. → The piezoelectric resonance frequencies observation - first time observation on this material. - Abstract: L-Arginine monohydrochloride monohydrate (LAHCl) single crystals were grown successfully by conventional and unidirectional solution growth methods. The crystalline perfection of grown crystals was analyzed by high-resolution X-ray diffraction. The linear optical transmittance, mechanical stability of conventional and unidirectional grown LAHCl single crystals were analyzed and compared along (0 0 1) plane. The refractive index and birefringence of LAHCl single crystals were also measured using He-Ne laser source. From the dielectric studies, piezoelectric resonance frequencies were observed in kHz frequency range for both conventional and unidirectional grown LAHCl single crystals along (0 0 1) plane.

  8. Types of defect ordering in undoped and lanthanum-doped Bi2201 single crystals

    International Nuclear Information System (INIS)

    Martovitsky, V. P.

    2006-01-01

    Undoped and lanthanum-doped Bi2201 single crystals having a perfect average structure have been comparatively studied by x-ray diffraction. The undoped Bi2201 single crystals exhibit very narrow satellite reflections; their half-width is five to six times smaller than that of Bi2212 single crystals grown by the same technique. This narrowness indicates three-dimensional defect ordering in the former crystals. The lanthanumdoped Bi2201 single crystals with x = 0.7 and T c = 8-10 K exhibit very broad satellite reflections consisting of two systems (modulations) misoriented with respect to each other. The modulation-vector components of these two modulations are found to be q 1 = 0.237b* + 0.277c* and q 2 = 0.238b* + 0.037c*. The single crystals having a perfect average structure and a homogeneous average distribution of doping lanthanum consist of 70-to 80-A-thick layers that alternate along the c axis and have two different types of modulated superlattice. The crystals having a less perfect average structure also consist of alternating layers, but they have different lanthanum concentrations. The low value of T c in the undoped Bi2201 single crystals (9.5 K) correlates with three-dimensional defect ordering in them, and an increase in T c to 33 K upon lanthanum doping can be related to a thin-layer structure of these crystals and to partial substitution of lanthanum for the bismuth positions

  9. Tensile properties of electron-beam-welded single crystals of molybdenum

    International Nuclear Information System (INIS)

    Hiraoka, Yutaka; Okada, Masatoshi; Irie, Hirosada; Fujii, Tadayuki.

    1987-01-01

    The purpose of this study is to investigate the macro- and microstructures and the tensile properties of electron-beam-welded single crystals of molybdenum. The single-crystal sheets were prepared by means of secondary recrystallization. The welding was carried out by a melt-run technique. The weld metal had the same crystallographic orientation as the base metal, and no grain boundary was observed. However, many large weld pores were formed mostly along the weld bond. The strength and ductility of the welded joints of single crystals were almost the same as those of the base metal (''annealed'' single crystals). It is concluded that the joint efficiency of molybdenum single crystals at room temperature or above was excellent and nearly 100 %. (author)

  10. Photoelectron diffraction studies of small adsorbates on single crystal surfaces

    International Nuclear Information System (INIS)

    Pascal, Mathieu

    2002-01-01

    The structural determination of small molecules adsorbed on single crystal surfaces has been investigated using scanned energy mode photoelectron diffraction (PhD). The experimental PhD data were compared to theoretical models using a simulation program based on multiple scattering calculations. Three adsorption systems have been examined on Ag(110), Cu(110) and Cu(111) crystals. The structure of the (2x1)-O adsorption phase on Ag(110) revealed that the O atoms occupied the long bridge site and are almost co-planar with the top layer of Ag atoms. The best agreement between multiple scattering theory and experiment has been obtained for a missing-row (or equivalently an 'added- row') reconstruction. Alternative buckled-row and unreconstructed surface models can be excluded. The adsorption of the benzoate species on Cu(110) has been found to occur via the carboxylate group. The molecules occupy short bridge sites with the O atoms being slightly displaced from atop sites and are aligned along the close-packed azimuth. The tilt of the molecule with respect to the surface and the degree to which the surface is relaxed have also been investigated. The adsorption of methyl on Cu(111) was studied using either azomethane or methyl iodide to prepare the surface layers. At saturation coverage the preferred adsorption site is the fcc threefold hollow site, whereas at half saturation coverage ∼ 30 % of the methyl species occupy the hop threefold hollow sites. Best agreement between theory and experiment corresponded to a methyl group adsorbed with C 3v symmetry. The height of the C above the surface in a pure methyl layer was 1.66 ± 0.02 A, but was reduced to 1.62 ± 0.02 A in the presence of co-adsorbed iodine, suggesting that iodine increases the strength of adsorption. Iodine was also found to occupy the fee threefold hollow sites with a Cu-l bondlength of 2.61 ± 0.02 A. (author)

  11. Self-organized defect strings in two-dimensional crystals.

    Science.gov (United States)

    Lechner, Wolfgang; Polster, David; Maret, Georg; Keim, Peter; Dellago, Christoph

    2013-12-01

    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.

  12. Structural and optical properties of WTe2 single crystals synthesized by DVT technique

    Science.gov (United States)

    Dixit, Vijay; Vyas, Chirag; Pathak, V. M.; Soalanki, G. K.; Patel, K. D.

    2018-05-01

    Layered transition metal di-chalcogenide (LTMDCs) crystals have attracted much attention due to their potential in optoelectronic device applications recently due to realization of their monolayer based structures. In the present investigation we report growth of WTe2 single crystals by direct vapor transport (DVT) technique. These crystals are then characterized by energy dispersive analysis of x-rays (EDAX) to study stoichiometric composition after growth. The structural properties are studied by x-ray diffraction (XRD) and selected area electron diffraction (SAED) is used to confirm orthorhombic structure of grown WTe2 crystal. Surface morphological properties of the crystals are also studied by scanning electron microscope (SEM). The optical properties of the grown crystals are studied by UV-Visible spectroscopy which gives direct band gap of 1.44 eV for grown WTe2 single crystals.

  13. Studies on various properties of pure and Li-doped Barium Hydrogen Phosphate (BHP) single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Nallamuthu, D. [Department of Physics, Aditanar College of Arts and Science, Tiruchendur 628216, Tamil Nadu (India); Selvarajan, P., E-mail: pselvarajanphy@yahoo.co.i [Department of Physics, Aditanar College of Arts and Science, Tiruchendur 628216, Tamil Nadu (India); Freeda, T.H. [Physics Research Centre, S.T. Hindu College, Nagercoil 629002 (India)

    2010-12-15

    Single crystals of pure and Li-doped barium hydrogen phosphate (BHP) were grown by solution method with gel technique. Various properties of the harvested crystals were studied by carrying out single crystal and powder XRD, FTIR, TG/DTA, microhardness and dielectric studies. Atomic absorption study was carried out for Li-doped BHP crystal to check the presence of Li dopants. Unit cell dimensions and diffracting planes of the grown crystals have been identified from XRD studies. Functional groups of the title compounds have been identified from FTIR studies. Density of the grown crystals was calculated using the XRD data. Thermal stability of the samples was checked by TG/DTA studies. Mechanical and dielectric characterizations of the harvested pure and Li-doped BHP crystals reveal the mechanical strength and ferroelectric transition. The observed results are reported and discussed.

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

    Indian Academy of Sciences (India)

    Thermal behaviour of strontium tartrate crystals grown with the aid of sodium metasilicate gel is investigated using thermogravimetry (TG) and differential thermal analysis (DTA). Effect of magnetic field and dopant (Pb)2+ on the crystal stability is also studied using thermal analysis. This study reveals that water molecules are ...

  15. Oriented growing and anisotropy of emission properties of lanthanum hexaboride single crystals

    International Nuclear Information System (INIS)

    Lazorenko, V.I.; Lotsko, D.V.; Platonov, V.F.; Kovalev, A.V.; Galasun, A.P.; Matvienko, A.A.; Klinkov, A.E.

    1987-01-01

    Single crystals of lanthanum hexaboride with preset crystallographic orientation are grown by the method of crucible-free zone melting. It is shown that oriented growing of single crystals of the given compound is possible only when using seed crystals of the required orientation because no predominant orientation of the LaB 6 growth is found in case of spontaneous crystallization. Orientation of spontaneously growing LaB 6 crystals does not depend on their growth rate, degree of the melt diffusion annealing, purity of the inital powder. Anisotropy of the electronic work function for single crystal lanthanum hexaboride is confirmed. Its value grows as (100)<(110)<(111). Conditions of the preliminary thermovacuum purification of the surface are shown to affect the measured work function

  16. 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)

    2013-12-31

    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

  17. Ferrite Nanoparticles, Films, Single Crystals, and Metamaterials: High Frequency Applications

    International Nuclear Information System (INIS)

    Harris, V.

    2006-01-01

    Ferrite materials have long played an important role in power conditioning, conversion, and generation across a wide spectrum of frequencies (up to ten decades). They remain the preferred magnetic materials, having suitably low losses, for most applications above 1 MHz, and are the only viable materials for nonreciprocal magnetic microwave and millimeter-wave devices (including tunable filters, isolators, phase shifters, and circulators). Recently, novel processing techniques have led to a resurgence of research interest in the design and processing of ferrite materials as nanoparticles, films, single crystals, and metamaterials. These latest developments have set the stage for their use in emerging technologies that include cancer remediation therapies such as magnetohyperthermia, magnetic targeted drug delivery, and magneto-rheological fluids, as well as enhanced magnetic resonance imaging. With reduced dimensionality of nanoparticles and films, and the inherent nonequilibrium nature of many processing schemes, changes in local chemistry and structure have profound effects on the functional properties and performance of ferrites. In this lecture, we will explore these effects upon the fundamental magnetic and electronic properties of ferrites. Density functional theory will be applied to predict the properties of these ferrites, with synchrotron radiation techniques used to elucidate the chemical and structural short-range order. This approach will be extended to study the atomic design of ferrites by alternating target laser-ablation deposition. Recently, this approach has been shown to produce ferrites that offer attractive properties not found in conventionally grown ferrites. We will explore the latest research developments involving ferrites as related to microwave and millimeter-wave applications and the attempt to integrate these materials with semiconductor materials platforms

  18. Single-walled carbon nanotubes nanocomposite microacoustic organic vapor sensors

    Energy Technology Data Exchange (ETDEWEB)

    Penza, M. [ENEA, Materials and New Technologies Unit, SS. 7, Appia, km 714, 72100 Brindisi (Italy)]. E-mail: michele.penza@brindisi.enea.it; Tagliente, M.A. [ENEA, Materials and New Technologies Unit, SS. 7, Appia, km 714, 72100 Brindisi (Italy); Aversa, P. [ENEA, Materials and New Technologies Unit, SS. 7, Appia, km 714, 72100 Brindisi (Italy); Cassano, G. [ENEA, Materials and New Technologies Unit, SS. 7, Appia, km 714, 72100 Brindisi (Italy); Capodieci, L. [ENEA, Materials and New Technologies Unit, SS. 7, Appia, km 714, 72100 Brindisi (Italy)

    2006-07-15

    We have developed highly sensitive microacoustic vapor sensors based on surface acoustic waves (SAWs) configured as oscillators using a two-port resonator 315, 433 and 915 MHz device. A nanocomposite film of single-walled carbon nanotubes (SWCNTs) embedded in a cadmium arachidate (CdA) amphiphilic organic matrix was prepared by Langmuir-Blodgett technique with a different SWCNTs weight filler content onto SAW transducers as nanosensing interface for vapor detection, at room temperature. The structural properties and surface morphology of the nanocomposite have been examined by X-ray diffraction, transmission and scanning electron microscopy, respectively. The sensing properties of SWCNTs nanocomposite LB films consisting of tangled nanotubules have been also investigated by using Quartz Crystal Microbalance 10 MHz AT-cut quartz resonators. The measured acoustic sensing characteristics indicate that the room-temperature SAW sensitivity to polar and nonpolar tested organic molecules (ethanol, ethylacetate, toluene) of the SWCNTs-in-CdA nanocomposite increases with the filler content of SWCNTs incorporated in the nanocomposite; also the SWCNTs-in-CdA nanocomposite vapor sensitivity results significantly enhanced with respect to traditional organic molecular cavities materials with a linearity in the frequency change response for a given nanocomposite weight composition and a very low sub-ppm limit of detection.

  19. Efficient green luminescence of terbium oxalate crystals: A case study with Judd-Ofelt theory and single crystal structure analysis and the effect of dehydration on luminescence

    Science.gov (United States)

    Alexander, Dinu; Joy, Monu; Thomas, Kukku; Sisira, S.; Biju, P. R.; Unnikrishnan, N. V.; Sudarsanakumar, C.; Ittyachen, M. A.; Joseph, Cyriac

    2018-06-01

    Design and synthesis of Lanthanide based metal organic framework is a frontier area of research owing to their structural diversity enabling specific applications. The luminescence properties of rare earths, tuned by the structural features of Ln-MOFs are investigated extensively. Rare earth oxalates which can be synthesized in a facile method, ensuring the structural features of MOFs with excellent photoluminescence characteristics deserves much attention. This work is the first time report on the single crystal structure and Judd-Ofelt (JO) theoretical analysis - their correlation with the intense and sharp green luminescence of Terbium oxalate crystals. The intense green luminescence observed for Terbium oxalate crystals for a wide range of excitation from DUV to visible region despite the luminescence limiting factors are discussed. The absence of concentration quenching and lifting up of forbidden nature of f-f transitions, allowing direct excitation of Terbium ions is analysed with the help of JO theory and single crystal structure analysis. The JO analysis predicted the asymmetry of Terbium sites, allowing the electric dipole transitions and from the JO intensity parameters, promising spectroscopic parameters - emission cross section, branching ratio, gain band width and gain coefficient of the material were calculated. The single crystal structure analysis revealed the asymmetry of Tb sites and structure of Terbium oxalate is formed by the hydrogen bonded stacking of overlapped six Terbium membered rings connected by the oxalate ligands. The molecularly thick layers thus formed on the crystal surface are imaged by the atomic force microscopy. The presence of water channels in the structure and the effect of lattice water molecules on the luminescence intensity are also investigated.

  20. Theory of photoelectron spectroscopy for organic molecules and their crystals

    Energy Technology Data Exchange (ETDEWEB)

    Fujikawa, Takashi, E-mail: tfujikawa@faculty.chiba-u.jp; Niki, Kaori; Sakuma, Hiroto

    2015-10-01

    Highlights: • Some specific features in photoemission theory from organic solids are reviewed. • Extrinsic and intrinsic effects are discussed. • Photoemission from extended levels is compared with that from core levels. • First principle many-body theories are discussed on the basis of nonequilibrium Green's functions. - Abstract: In this short review we discuss recent progress in photoemission theory for organic molecules and their crystals. We discuss some important features in Keldysh Green's function theory for the photoemission. We briefly discuss many-body aspects in photoemission from core and extended levels. In particular phonon effects are investigated in more detail since organic solids are typically soft where electron–phonon interaction is important. Debye–Waller factor suppresses the interference effects of photoelectron waves which makes ARPES analyses useless, particularly in high energy region.

  1. Theory of photoelectron spectroscopy for organic molecules and their crystals

    International Nuclear Information System (INIS)

    Fujikawa, Takashi; Niki, Kaori; Sakuma, Hiroto

    2015-01-01

    Highlights: • Some specific features in photoemission theory from organic solids are reviewed. • Extrinsic and intrinsic effects are discussed. • Photoemission from extended levels is compared with that from core levels. • First principle many-body theories are discussed on the basis of nonequilibrium Green's functions. - Abstract: In this short review we discuss recent progress in photoemission theory for organic molecules and their crystals. We discuss some important features in Keldysh Green's function theory for the photoemission. We briefly discuss many-body aspects in photoemission from core and extended levels. In particular phonon effects are investigated in more detail since organic solids are typically soft where electron–phonon interaction is important. Debye–Waller factor suppresses the interference effects of photoelectron waves which makes ARPES analyses useless, particularly in high energy region.

  2. Growth and characterization of air annealing Mn-doped YAG:Ce single crystal for LED

    International Nuclear Information System (INIS)

    Xiang, Weidong; Zhong, Jiasong; Zhao, Yinsheng; Zhao, Binyu; Liang, Xiaojuan; Dong, Yongjun; Zhang, Zhimin; Chen, Zhaoping; Liu, Bingfeng

    2012-01-01

    Highlights: ► The YAG:Ce,Mn single crystal was well synthesized by the Czochralski (CZ) method. ► The emission intensity of the sample has been influenced after annealing. ► Annealed in the air at 1200 °C was the most optimal annealing condition. ► 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.

  3. Synthesis and photocatalytic activity of mesoporous – (001) facets TiO_2 single crystals

    International Nuclear Information System (INIS)

    Dong, Yeshuo; Fei, Xuening; Zhou, Yongzhu

    2017-01-01

    Highlights: • The (001) facets of TiO_2 single crystals with mesoporous structure. • The (010) and (100) facets of TiO_2 single crystals were covered by the flower – shaped TiO_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_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_2 single crystals, we synthesized these mesoporous – (001) facets TiO_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_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_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_2 single crystals.

  4. Mechanism of the superior mechanical strength of nanometer-sized metal single crystals revealed

    KAUST Repository

    Afify, N. D.

    2013-10-01

    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.

  5. Space growth studies of Ce-doped Bi12SiO20 single crystal

    International Nuclear Information System (INIS)

    Zhou, Y.F.; Wang, J.C.; Tang, L.A.; Pan, Z.L.; Chen, N.F.; Chen, W.C.; Huang, Y.Y.; He, W.

    2004-01-01

    Ce-doped Bi 12 SiO 20 (BSO) single crystal was grown on board of the Chinese Spacecraft-Shenzhou No. 3. A cylindrical crystal, 10 mm in diameter and 40 mm in length, was obtained. The morphology of crystals is significantly different for ground- and space-grown portions. The space- and ground-grown crystals have been characterized by Ce concentration distribution, X-ray rocking curve absorption spectrum and micro-Raman spectrum. The results show that the quality of Ce-doped BSO crystal grown in space is more homogeneous and more perfect than that of ground grown one

  6. Mechanism of linear and nonlinear optical properties of bis-thiourea cadmium chloride single crystal

    International Nuclear Information System (INIS)

    Yang, J.T.; Luo, S.J.; Yi, L.; Laref, A.

    2013-01-01

    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-Π O ⋯X”. “M” is a metal atom providing electrons, “Π O ” is a π-conjugated covalent of an organic molecule, and “X” is a high electronegativity atom. The CT across the BTCC molecule is along a π-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.

  7. Laue diffraction: The key to neutron crystallography from submillimetric-volume single crystals

    Science.gov (United States)

    Lemée-Cailleau, M.-H.; McIntyre, G. J.; Wilkinson, C.

    2005-12-01

    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.

  8. Design, structural investigation and physicochemical properties of benzotriazolium m-nitrophthalate monohydrate single crystals

    Science.gov (United States)

    Mekala, R.; Mani, Rajaboopathi; Jagdish, P.; Mathammal, R.

    2018-04-01

    The single crystals of organic salt benzotriazolium m-nitrophthalate monohydrate were grown by slow evaporation technique. It crystallizes in orthorhombic system with space group Pbca. The molecular interactions of the compound have been pictured using Hirshfeld surfaces and fingerprints plots and the results were compared with BZD+·mNPA-. The functional groups were identified by FTIR and FT-Raman spectra. The proton transfer from acid to base was identified from the 1H and 13C NMR spectra. The absorption and emission spectrum of BTA+·mNPA-·H2O was recorded in aqueous solution and different solvents, respectively The HOMO and LUMO energy gap of benzotriazole and BTA+·mNPA-·H2O were calculated using density functional theory (DFT). The thermal stability and melting point of hydrated salt was analysed and compared by TG-DTG/DSC study. The anti-oxidant activity of the title compound was evaluated by DPPH and ABTS+ Radical scavenging assay. The anti-microbial and anti-cancer activity showed a potential impact in the crystal.

  9. Influence of submelting on formation of single crystals of nickel alloy with cellular-dendritic structure

    International Nuclear Information System (INIS)

    Pankin, G.N.; Esin, V.O.; Ponomarev, V.V.

    1996-01-01

    A study was made into specific features of cellular - dendritic structure formation in single crystals of nickel base alloy ZhS26 which had been crystallized following the pattern of solid solution. The single crystals in growing were subjected to periodic partial remelting to suppress the transition of cellular structure into a cellular - dendritic one during directional solidification. The results obtained showed the possibility to stabilize cellular growth of solid solution by way of inversion of interphase surface motion in the process of directional crystallization. 4 refs.; 5 figs

  10. Growth of binary solid solution single crystals and calculation of melt surface displacement velocity

    International Nuclear Information System (INIS)

    Agamaliyev, Z.A.; Tahirov, V.I.; Hasanov, Z.Y.; Quliyev, A.F.

    2007-01-01

    A binary solid solution single crystal growth method has been worked out. Cylinder feeding alloy with complex content distribution and truncated cone crucible are used. Second component distribution coefficient is more than unit. Content distribution along grown crystal is found by solving continuity equation. After reaching dynamic equilibrium state second component concentration in grown crystal is saturated the value of which is less than the average ona in the feeding alloy. Using the method Ge-Si perfect single crystals has been grown. Calculation method of melt surface displacement velocity has been offered as well

  11. Thermopower, electrical and Hall conductivity of undoped and doped iron disilicide single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Heinrich, A; Behr, G; Griessmann, H; Teichert, S; Lange, H

    1997-07-01

    The electrical transport properties of {beta}-FeSi{sub 2} single crystals have been investigated in dependence on the purity of the source material and on doping with 3d transition metals. The transport properties included are electrical conductivity, Hall conductivity and thermopower mainly in the temperature range from 4K to 300K. The single crystals have been prepared by chemical transport reaction in a closed system with iodine as transport agent. In undoped single crystals prepared with 5N Fe both electrical conductivity and thermopower depend on the composition within the homogeneity range of {beta}-FeSi{sub 2} which is explained by different intrinsic defects at the Si-rich and Fe-rich phase boundaries. In both undoped and doped single crystals impurity band conduction is observed at low temperatures but above 100K extrinsic behavior determined by shallow impurity states. The thermopower shows between 100K and 200K a significant phonon drag contribution which depends on intrinsic defects and additional doping. The Hall resistivity is considered mainly with respect to an anomalous contribution found in p-type and n-type single crystals and thin films. In addition doped single crystals show at temperatures below about 130K an hysteresis of the Hall voltage. These results make former mobility data uncertain. Comparison will be made between the transport properties of single crystals and polycrystalline material.

  12. Crystal growth, optical properties, and laser operation of Yb3+-doped NYW single crystal

    Science.gov (United States)

    Cheng, Y.; Xu, X. D.; Yang, X. B.; Xin, Z.; Cao, D. H.; Xu, J.

    2009-11-01

    Laser crystal Yb3+-doped NaY(WO4)2 (Yb:NYW) with excellent quality has been grown by Czochralski technique. The rocking curves from (400) plane of as-grown Yb:NYW crystal was measured and the full-width value at half-maximum was 19.92″. The effective segregation coefficients were measured by the X-ray fluorescence method. The polarized absorption spectra and the fluorescence spectra of Yb:NYW crystal were measured at room temperature. The fluorescence decay lifetime of Yb3+ ion in NYW crystal has been investigated. The spectroscopic parameters of Yb:NYW crystal are calculated and compared with those of Yb:YAG crystal. A continuous wave output power of 3.06 W at 1031 nm was obtained with a slope efficiency of 42% by use of diode pumping.

  13. D.C. electrical conductivity measurements on ADP single crystals ...

    Indian Academy of Sciences (India)

    Unknown

    Impurity added ADP crystals; density; electrical conductivity measurements. 1. Introduction ... determined by the intrinsic defects caused by thermal fluctuations in the ... beaker (corning glass vessel) and allowed to equilibrate at the desired ...

  14. Investigations on nucleation, HRXRD, optical, piezoelectric, polarizability and Z-scan analysis of L-arginine maleate dihydrate single crystals

    Science.gov (United States)

    Sakthy Priya, S.; Alexandar, A.; Surendran, P.; Lakshmanan, A.; Rameshkumar, P.; Sagayaraj, P.

    2017-04-01

    An efficient organic nonlinear optical single crystal of L-arginine maleate dihydrate (LAMD) has been grown by slow evaporation solution technique (SEST) and slow cooling technique (SCT). The crystalline perfection of the crystal was examined using high-resolution X-ray diffractometry (HRXRD) analysis. Photoluminescence study confirmed the optical properties and defects level in the crystal lattice. Electromechanical behaviour was observed using piezoelectric co-efficient (d33) analysis. The photoconductivity analysis confirmed the negative photoconducting nature of the material. The dielectric constant and loss were measured as a function of frequency with varying temperature and vice-versa. The laser damage threshold (LDT) measurement was carried out using Nd:YAG Laser with a wavelength of 1064 nm (Focal length is 35 cm) and the obtained results showed that LDT value of the crystal is high compared to KDP crystal. The high laser damage threshold of the grown crystal makes it a potential candidate for second and higher order nonlinear optical device application. The third order nonlinear optical parameters of LAMD crystal is determined by open-aperture and closed-aperture studies using Z-scan technique. The third order linear and nonlinear optical parameters such as the nonlinear refractive index (n2), two photon absorption coefficient (β), Real part (Reχ3) and imaginary part (Imχ3) of third-order nonlinear optical susceptibility are calculated.

  15. UV detectors based on epitaxial diamond films grown on single-crystal diamond substrates by vapor-phase synthesis

    International Nuclear Information System (INIS)

    Sharonov, G.V.; Petrov, S.A.; Bol'shakov, A.P.; Ral'chenko, V.G.; Kazyuchits, N.M.

    2010-01-01

    The prospects for use of CVD-technology for epitaxial growth of single-crystal diamond films of instrumental quality in UHF plasma for the production of optoelectronic devices are discussed. A technology for processing diamond single crystals that provides a perfect surface crystal structure with roughness less than 0,5 nm was developed. It was demonstrated that selective UV detectors based on synthetic single-crystal diamond substrates coated with single-crystal films can be produced. A criterion for selecting clean and structurally perfect single crystals of synthetic diamond was developed for the epitaxial growth technology. (authors)

  16. Growth of mercuric iodide single crystals from dimethylsulfoxide

    International Nuclear Information System (INIS)

    Carlston, R.C.

    1976-01-01

    Dimethylsulfoxide is used as a solvent for the growth of red mercuric iodide (HgI 2 ) crystals for use in radiation detectors. The hygroscopic property of the solvent allows controlled amounts of water to enter into the solvent phase and diminish the large solubility of HgI 2 so that the precipitating solid collects as well-defined euhedral crystals which grow into a volume of several cc

  17. Contact angle of water droplet on apatite single crystals

    International Nuclear Information System (INIS)

    Suzuki, Takaomi; Hirose, Go; Oishi, Shuji

    2004-01-01

    Contact angles of water droplets on well-formed crystals of strontium and barium chlorapatites, Sr 5 Cl(PO 4 ) 3 and Ba 5 Cl(PO 4 ) 3 , were observed. The contact angles of water on (1 0 1-bar 0) and (1 0 1-bar 1) faces of Sr 5 Cl(PO 4 ) 3 were 74±8 deg. and 53±5 deg. and those on (1 0 1-bar 0) and (1 0 1-bar 1) faces of Ba 5 Cl(PO 4 ) 3 were 52±5 deg. and 33±1 deg., respectively. The surface tensions of the crystals were calculated using Neumann's equation. They were 39.2±50 and 52.0±3.0 mJ m -2 for (1 0 1-bar 0) and (1 0 1-bar 1) faces of Sr 5 Cl(PO 4 ) 3 , 52.5±2.9 and 63.0±0.5 mJ m -2 for (1 0 1-bar 0) and (1 0 1-bar 1) faces of Ba 5 Cl(PO 4 ) 3 , respectively. The (1 0 1-bar 1) face has larger surface tension than (1 0 1-bar 0) face for both crystals. The chlorapatite crystals have tendency to elongate in directions during the crystal growth process, indicating that (1 0 1-bar 0) face is more stable than (1 0 1-bar 1) face. This nature of crystal morphology is consistent with the surface tensions estimated from the water contact angles. The higher density of Ba 5 Cl(PO 4 ) 3 than Sr 5 Cl(PO 4 ) 3 is considered to cause the smaller contact angles of water droplet on Ba 5 Cl(PO 4 ) 3 crystal than that on Sr 5 Cl(PO 4 ) 3 crystal because the attractive force between the heavier atoms brings the larger surface tension of solid

  18. Liquid crystals for organic thin-film transistors

    Science.gov (United States)

    Iino, Hiroaki; Usui, Takayuki; Hanna, Jun-Ichi

    2015-04-01

    Crystalline thin films of organic semiconductors are a good candidate for field effect transistor (FET) materials in printed electronics. However, there are currently two main problems, which are associated with inhomogeneity and poor thermal durability of these films. Here we report that liquid crystalline materials exhibiting a highly ordered liquid crystal phase of smectic E (SmE) can solve both these problems. We design a SmE liquid crystalline material, 2-decyl-7-phenyl-[1]benzothieno[3,2-b][1]benzothiophene (Ph-BTBT-10), for FETs and synthesize it. This material provides uniform and molecularly flat polycrystalline thin films reproducibly when SmE precursor thin films are crystallized, and also exhibits high durability of films up to 200 °C. In addition, the mobility of FETs is dramatically enhanced by about one order of magnitude (over 10 cm2 V-1 s-1) after thermal annealing at 120 °C in bottom-gate-bottom-contact FETs. We anticipate the use of SmE liquid crystals in solution-processed FETs may help overcome upcoming difficulties with novel technologies for printed electronics.

  19. In-vitro study on calcium carbonate crystal growth mediated by organic matrix extracted from fresh water pearls

    International Nuclear Information System (INIS)

    Ma Yufei; Qiao Li; Feng Qingling

    2012-01-01

    For the purpose of studying the mediation of organic matrix on the crystallization of calcium carbonate, water soluble matrix (WSM), acid soluble matrix (ASM) and acid insoluble matrix (AIM) were extracted from aragonite pearls and vaterite pearls respectively. Then, in-vitro calcium carbonate crystallization experiments under the control of these six organic matrices were carried out in the present study. Scanning electron microscopy (SEM) was utilized to observe the morphology of CaCO 3 and Raman spectroscopy as a powerful technique was used to distinguish the crystal polymorph. Influences of the six kinds of organic matrices on the calcium carbonate crystal growth are proposed. ASM of vaterite pearls can induce vaterite to crystallize and WSM of aragonite pearls mediates to produce aragonite crystals. The single AIM membranes of the two pearls have no pronounced effect on the CaCO 3 crystallization. Additionally, the crystal size obtained with the additive of WSM of the two kinds of pearls is smaller than that with the additive of ASM. Moreover, self-assembly phenomenon in the biomineralization process and the distorted morphology calcite are observed. Current results demonstrate important aspects of matrix protein-controlled crystallization, which is beneficial to the understanding of nacre biomineralization mechanism. Further study of the precise control of these matrix proteins on CaCO 3 crystal growth is being processed. - Highlights: ► WSM, ASM and AIM are extracted from aragonite pearls and vaterite pearls. ► ASM of vaterite pearl induces vaterite. ► WSM of aragonite pearl mediates to produce aragonite. ► WSM can fine control crystal size smaller than that with the additive of ASM. ► Self-assembly and the distorted calcite existed in the mineralization process.

  20. Regio-Regular Oligo and Poly(3-hexyl thiophene): Precise Structural Markers from the Vibrational Spectra of Oligomer Single Crystals.

    KAUST Repository

    Brambilla, Luigi; Tommasini, Matteo; Botiz, Ioan; Rahimi, Khosrow; Agumba, John O.; Stingelin, Natalie; Zerbi, Giuseppe

    2014-01-01

    , namely, amorphous, semicrystalline, polycrystalline and single crystal. We have based our analysis on the spectra of the (3HT)8 single crystal (whose structure has been determined by selected area electron diffraction) taken as reference

  1. Studies on the growth aspects, structural, thermal, dielectric and third order nonlinear optical properties of solution grown 4-methylpyridinium p-nitrophenolate single crystal

    Science.gov (United States)

    Devi, S. Reena; Kalaiyarasi, S.; Zahid, I. MD.; Kumar, R. Mohan

    2016-11-01

    An ionic organic optical crystal of 4-methylpyridinium p-nitrophenolate was grown from methanol by slow evaporation method at ambient temperature. Powder and single crystal X-ray diffraction studies revealed the crystal system and its crystalline perfection. The rocking curve recorded from HRXRD study confirmed the crystal quality. FTIR spectral analysis confirmed the functional groups present in the title compound. UV-visible spectral study revealed the optical window and band gap of grown crystal. The thermal, electrical and surface laser damage threshold properties of harvested crystal were examined by using TGA/DTA, LCR/Impedance Analyzer and Nd:YAG laser system respectively. The third order nonlinear optical property of grown crystal was elucidated by Z-scan technique.

  2. The tensile effect on crack formation in single crystal silicon irradiated by intense pulsed ion beam

    Science.gov (United States)

    Liang, Guoying; Shen, Jie; Zhang, Jie; Zhong, Haowen; Cui, Xiaojun; Yan, Sha; Zhang, Xiaofu; Yu, Xiao; Le, Xiaoyun

    2017-10-01

    Improving antifatigue performance of silicon substrate is very important for the development of semiconductor industry. The cracking behavior of silicon under intense pulsed ion beam irradiation was studied by numerical simulation in order to understand the mechanism of induced surface peeling observed by experimental means. Using molecular dynamics simulation based on Stillinger Weber potential, tensile effect on crack growth and propagation in single crystal silicon was investigated. Simulation results reveal that stress-strain curves of single crystal silicon at a constant strain rate can be divided into three stages, which are not similar to metal stress-strain curves; different tensile load velocities induce difference of single silicon crack formation speed; the layered stress results in crack formation in single crystal silicon. It is concluded that the crack growth and propagation is more sensitive to strain rate, tensile load velocity, stress distribution in single crystal silicon.

  3. Twinning behavior in the Ti-5at.% Al single crystals during cyclic loading along [0001

    International Nuclear Information System (INIS)

    Xiao Lin

    2005-01-01

    Cyclic deformation behavior of Ti-5at.% Al single crystals subjected to pull-push cyclic load along [0001] crystallographic orientation was studied. A higher cyclic stress response was displayed in the Ti-5Al single crystal oriented for [0001] than that oriented for single prism slip. Optical microscopy and transmission electron microscopy examinations show that twinning is a dominant plastic deformation mode in the single crystals during cycling. Trace analysis of prepolished surfaces was used to identify the twin systems primarily responsible for deformation. The major twin type observed was {101-bar 2}, {112-bar 2}, {101-bar 1} and {112-bar 1}. slip was observed in the neighboring region of twins in the fatigued specimens. The activation of multiple twinning systems contributed to the higher cyclic saturation stress in Ti-5Al single crystals oriented for [0001

  4. Studies of Second Order Optical Nonlinearities of 4-Aminobenzophenone (ABP) Single Crystal Films

    Science.gov (United States)

    Bhowmik, Achintya; Thakur, Mrinal

    1998-03-01

    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.

  5. Annealing effect on superconductivity of La2CuO4 single crystals

    International Nuclear Information System (INIS)

    Tanaka, I.; Takahashi, H.; Kojima, H.

    1992-01-01

    This paper reports that La 2 CuO 4 single crystals grown at an oxygen pressure of 0.2 MPa by TSFZ method are superconducting below 32 K, and show a semiconducting behavior in nonsuperconducting state. The single crystals of La 2 CuO 4 are changed from superconductors to semiconductors by annealing in argon, and are returned to superconductors by annealing at ambient pressure of oxygen. Therefore, superconductivity of the La 2 CuO 4 single crystals is due to excess oxygen

  6. Annealing effect on superconductivity of La2CuO4 single crystals

    International Nuclear Information System (INIS)

    Tanaka, L.; Takahashi, H.; Kojima, H.

    1992-01-01

    La 2 CuO 4 single crystals grown at an oxygen pressure of 0.2 MPa by TSFZ method are superconducting below 32 K, and show a semiconducting behavior in nonsuperconducting state. The single crystals of La 2 CuO 4 are changed from superconductors to semiconductors by annealing in argon, and are returned to superconductors by annealing at ambient pressure of oxygen. Therefore, superconductivity of the La 2 CuO 4 single crystals is due to excess oxygen. (orig.)

  7. Experimental study and numerical simulation of the plastic deformation of zirconium single crystals

    International Nuclear Information System (INIS)

    Lebon, C.

    2011-01-01

    There is only few experimental data in the literature on the zirconium single crystals and no constitutive laws for this single crystal material are provided. The goal of this work is then to create an experimental database like the Critical Resolved Shear Stress (CRSS) for the prismatic slip, the strain-hardening, the activation of the prismatic glide system and the activation volumes. We determine theses parameters from image correlation method. Then, we develop a new multi-scale approach using dislocations dynamics concept and finite element computations. Finally, a first single crystal constitutive law for the zirconium is proposed and a good agreement with the experimental data is obtained. (author) [fr

  8. Steady-state crack growth in single crystals under Mode I loading

    DEFF Research Database (Denmark)

    Juul, Kristian Jørgensen; Nielsen, Kim Lau; Niordson, Christian Frithiof

    2017-01-01

    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...... 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...... 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...

  9. Compression of Single-Crystal Orthopyroxene to 60GPa

    Science.gov (United States)

    Finkelstein, G. J.; Dera, P. K.; Holl, C. M.; Dorfman, S. M.; Duffy, T. S.

    2010-12-01

    Orthopyroxene ((Mg,Fe)SiO3) is one of the dominant phases in Earth’s upper mantle - it makes up ~20% of the upper mantle by volume. At high pressures and temperatures, this phase undergoes several well-characterized phase transitions. However, when compressed at low temperature and high-pressure, orthopyroxene is predicted to exhibit metastable behavior(1). Previous researchers have found orthoenstatite (Mg endmember of orthopyroxene) persists up to ~10 GPa, and diffraction(2-3), Raman(4), and elasticity(5) experiments suggest a phase transition above this pressure to an as-yet unidentified structure. While earlier diffraction data has surprisingly only been evaluated for structural information to ~9 GPa(2), changes in high-pressure Raman spectra to ~70 GPa indicate that several more high-pressure phase transitions in orthopyroxene are likely, including at least one change in Si-coordination(6). We have recently conducted exploratory experiments to further elucidate the high-pressure behavior of orthopyroxene. Compressing a single crystal of Fe-rich orthopyroxene (Fe0.66Mg0.24Ca0.05SiO3) using a diamond anvil cell, we observe phase transitions at ~10, 14, and 30 GPa, with the new phases having monoclinic, orthorhombic, and orthorhombic symmetries, respectively. While the first two transitions do not show a significant change in volume, the phase transition at ~30 GPa shows a large decrease in volume, which is consistent with a change in Si coordination number to mixed 4- and 6-fold coordination. References: [1] S. Jahn, American Mineralogist 93, 528-532 (2008). [2] R. J. Angel, J. M. Jackson, American Mineralogist 87, 558-561 (2002). [3] R. J. Angel, D. A. Hugh-Jones, Journal of Geophysical Research-Solid Earth 99, 19,777-19,783 (1994). [4] G. Serghiou, Journal of Raman Spectroscopy 34, 587-590 (2003). [5] J. Kung et al., Physics of the Earth and Planetary Interiors 147, 27-44 (2004). [6] G. Serghiou, A. Chopelas, R. Boehler, Journal of Physics: Condensed Matter

  10. Study of dopamine reactivity on platinum single crystal electrode surfaces

    International Nuclear Information System (INIS)

    Chumillas, Sara; Figueiredo, Marta C.; Climent, Víctor; Feliu, Juan M.

    2013-01-01

    Dopamine is the biological molecule responsible, among other functions, of the heart beat and blood pressure regulation. Its loss, in the human body, can result in serious diseases such as Parkinson's, schizophrenia or depression. Structurally, this molecule belongs to the group of catecholamines, together with epinephrine (adrenaline) and norepinephrine (noradrenaline). The hydroquinone moiety of the molecule can be easily oxidized to quinone, rendering the electrochemical methods a convenient approach for the development of dopamine biosensors. The reactivity of similar aromatic molecules, such as catechol and hydroquinone, at well-ordered platinum surfaces, has recently been investigated in our group. In this paper, we extend these studies to the structurally related molecule dopamine. The study has been performed in neutral pH, since this is closer to the natural conditions for these molecules in biological media. Cyclic voltammetry and in situ infra-red spectroscopy have been combined to extract information about the behavior of this molecule on well-defined platinum surfaces. Dopamine appears to be electrochemically active and reveals interesting adsorption phenomena at low potentials (0.15–0.25 V vs RHE), sensitive to the single crystal orientation. The adsorption of dopamine on these surfaces is very strong, taking place at much lower potentials than the electron transfer from solution species. Specifically, the voltammetry of Pt(1 1 1) and Pt(1 0 0) in dopamine solutions shows an oxidation peak at potentials close to the onset of hydrogen evolution, which is related to the desorption of hydrogen and the adsorption of dopamine. On the other hand, adsorption on Pt(1 1 0) is irreversible and the surface appears totally blocked. Spectroscopic results indicate that dopamine is adsorbed flat on the surface. At potentials higher than 0.6 V vs RHE the three basal planes show a common redox process. The initial formation of the quinone moiety is followed by a

  11. Hopping conduction in gamma-irradiated InSe and InSe:Sn single crystals

    International Nuclear Information System (INIS)

    MUSTAFAEVA, S.N.; ISMAILOV, A.A.; ASADOV, M.M.

    2010-01-01

    Full text : The semiconductive InSe layer compound is characterized by a strong covalent bond inside the layers and a weak Van der Waals bonding between them. It was shown that across the layers of InSe single crystals at low temperatures (T ≤ 200 K) at direct current (dc) hopping conduction through localized states near the Fermi level takes place. The results of dc-conductivity of gamma-irradiated p-InSe and n-InSe : Sn layer single crystals have been presented in this work. ρ-InSe single crystal specimens grown by the Bridgman method were used in the experiments. Plates of the crystals under study were obtained by cleaving along the layers of single crystal ingots. The single-crystal InSe samples for electric measurements had the form of planar capacitors normal to the C axis of the crystals, with silver-paste electrodes. The thickness of the InSe samples was 300 mkm. Co 60 serves as the source of irradiation with energy of gamma-quantum equal to 1.3 MeV. The electric properties of non-irradiated and gamma-irradiated InSe crystals were measured under the same conditions. It is revealed that InSe and InSe : Sn (0.2 and 0.4 mole percent Sn) single crystals exhibit a variable range hopping conduction along a normal to their natural layers at temperatures T≤200 K in a dc electric field. From experimental data the parameters of localized states of p-InSe and n-InSe : Sn were calculated before and after gamma-irradiation. It is revealed that gamma-irradiation of p-InSe and n-InSe : Sn (0.2 and 0.4 mole percent Sn) single crystals leads to significant change of localized states parameters. After gamma-irradiation the density of states near the Fermi level increased, but their energy spread and the average jump distance decreased. The concentrations of radiated defects were estimated in p-InSe (5.18*10 1 7 sm - 3) and n-InSe : Sn (2.5*10 1 7 - 2.7*10 1 8 sm - 3) single crystals. The present results demonstrate that gamma-irradiation offers the possibility of tuning

  12. Reversible air-induced optical and electrical modulation of methylammonium lead bromide (MAPbBr3) single crystals

    Science.gov (United States)

    Zhang, Huotian; Liu, Yiting; Lu, Haizhou; Deng, Wan; Yang, Kang; Deng, Zunyi; Zhang, Xingmin; Yuan, Sijian; Wang, Jiao; Niu, Jiaxin; Zhang, Xiaolei; Jin, Qingyuan; Feng, Hongjian; Zhan, Yiqiang; Zheng, Lirong

    2017-09-01

    The photoluminescence (PL) variations of organic-inorganic hybrid lead halide perovskites in different atmospheres are well documented, while the fundamental mechanism still lacks comprehensive understandings. This study reports the reversible optical and electrical properties of methylammonium lead bromide (MAPbBr3 or CH3NH3PbBr3) single crystals caused by air infiltration. With the change in the surrounding atmosphere from air to vacuum, the PL intensity of perovskite single crystals decreases, while the conductivity increases. By means of first-principles computational studies, the shallow trap states are considered as key elements in PL and conductivity changes. These results have important implications for the characterization and application of organic-inorganic hybrid lead halide perovskites in vacuum.

  13. Effect of indium and antimony doping in SnS single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Chaki, Sunil H., E-mail: sunilchaki@yahoo.co.in; Chaudhary, Mahesh D.; Deshpande, M.P.

    2015-03-15

    Highlights: • Single crystals growth of pure SnS, indium doped SnS and antimony doped SnS by direct vapour transport (DVT) technique. • Doping of In and Sb occurred in SnS single crystals by cation replacement. • The replacement mechanism ascertained by EDAX, XRD and substantiated by Raman spectra analysis. • Dopants concentration affects the optical energy bandgap. • Doping influences electrical transport properties. - Abstract: Single crystals of pure SnS, indium (In) doped SnS and antimony (Sb) doped SnS were grown by direct vapour transport (DVT) technique. Two doping concentrations of 5% and 15% each were employed for both In and Sb dopants. Thus in total five samples were studied viz., pure SnS (S1), 5% In doped SnS (S2), 15% In doped SnS (S3), 5% Sb doped SnS (S4) and 15% Sb doped SnS (S5). The grown single crystal samples were characterized by evaluating their surface microstructure, stoichiometric composition, crystal structure, Raman spectroscopy, optical and electrical transport properties using appropriate techniques. The d.c. electrical resistivity and thermoelectric power variations with temperature showed semiconducting and p-type nature of the as-grown single crystal samples. The room temperature Hall Effect measurements further substantiated the semiconducting and p-type nature of the as-grown single crystal samples. The obtained results are deliberated in detail.

  14. Gallium arsenide single crystal solar cell structure and method of making

    Science.gov (United States)

    Stirn, Richard J. (Inventor)

    1983-01-01

    A production method and structure for a thin-film GaAs crystal for a solar cell on a single-crystal silicon substrate (10) comprising the steps of growing a single-crystal interlayer (12) of material having a closer match in lattice and thermal expansion with single-crystal GaAs than the single-crystal silicon of the substrate, and epitaxially growing a single-crystal film (14) on the interlayer. The material of the interlayer may be germanium or graded germanium-silicon alloy, with low germanium content at the silicon substrate interface, and high germanium content at the upper surface. The surface of the interface layer (12) is annealed for recrystallization by a pulsed beam of energy (laser or electron) prior to growing the interlayer. The solar cell structure may be grown as a single-crystal n.sup.+ /p shallow homojunction film or as a p/n or n/p junction film. A Ga(Al)AS heteroface film may be grown over the GaAs film.

  15. 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

    2008-01-01

    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 0.89 ...... taking into account that the light-matter coupling is strongly enhanced due to the significant slow-down of light in the photonic crystal waveguides....

  16. Elastic neutron diffraction study of transforming and non-transforming single crystal ZrV2

    International Nuclear Information System (INIS)

    Bostock, J.; Wong, M.; MacVicar, M.L.A.; Levinson, M.

    1980-01-01

    The mosaic spread of single crystal ZrV 2 is unusually narrow, approx. 1' from room temperature to 130K. For non-transforming perfect single crystal the mosaic gradually increases to approx. 1.86' at 4.2K; for transforming, twinned single crystal the room temperature mosaic is maintained to 110K, then increases to 2.76' at 94K when the crystal transforms to a mixed cubic (30%) and rhombohedral state (70%). The onset of the electronic instability (approx. 100K) is accompanied by an increase in diffuse scattering background which, for the twinned crystal, peaks at the structural transformation. The electronic instability coupled to the localized lattice stress appears to be the driving mechanism for the transformation

  17. The use of single-crystal iron frames in transient field measurements

    International Nuclear Information System (INIS)

    Zalm, P.C.; Laan, J. van der; Middelkoop, G. van

    1979-01-01

    Single-crystal Fe frames have been investigated for use as a ferromagnetic backing in transient magnetic field experiments. For this purpose the surface magnetization as a function of applied magnetic field has been determined with the magneto-optical Kerr effect. The frames, which have two sides parallel to the crystal axis, can be fully magnetized at low external fields such that fringing fields are negligibly small. These single-crystal Fe backings have been used in several transient magnetic field experiments. Comparison of the measured precession angles with previous results, obtained in polycrystalline Fe foils at high external magnetic fields, shows that the single-crystal backings are satisfactory. After extended periods of heavy-ion bombardment the crystals exhibited no radiation damage effects. The absence of fringing fields leads to a reduction of a factor of four in the measuring time for transient field experiments. (Auth.)

  18. Growth and characterization of high-purity SiC single crystals

    Science.gov (United States)

    Augustine, G.; Balakrishna, V.; Brandt, C. D.

    2000-04-01

    High-purity SiC single crystals with diameter up to 50 mm have been grown by the physical vapor transport method. Finite element analysis was used for thermal modeling of the crystal growth cavity in order to reduce stress in the grown crystal. Crystals are grown in high-purity growth ambient using purified graphite furniture and high-purity SiC sublimation sources. Undoped crystals up to 50 mm in diameter with micropipe density less than 100 cm -2 have been grown using this method. These undoped crystals exhibit resistivities in the 10 3 Ω cm range and are p-type due to the presence of residual acceptor impurities, mainly boron. Semi-insulating SiC material is obtained by doping the crystal with vanadium. Vanadium has a deep donor level located near the middle of the band gap, which compensates the residual acceptor resulting in semi-insulating behavior.

  19. Crystal growth, spectral and laser properties of Nd:LuAG single crystal

    International Nuclear Information System (INIS)

    Xu, X D; Meng, J Q; Cheng, Y; Li, D Z; Cheng, S S; Wu, F; Zhao, Z W; Wang, X D; Xu, J

    2009-01-01

    Nd:LuAG (Nd:Lu 3 Al 5 O 12 ) crystal was grown by the Czochralski method. X-ray powder diffraction experiments show that the Nd:LuAG crystal crystallizes in the cubic with space group Ia3d and has the cell parameter: a = 1.1907 nm, V = 1.6882 nm 3 . The absorption and fluorescence spectra of Nd:LuAG crystal at room temperature were investigated. With a fiber-coupled diode laser as pump source, the continuous-wave (CW) laser action of Nd:LuAG crystal was demonstrated. The maximum output power at 1064 nm was obtained to be 3.8 W under the incident pump power of 17.3 W, with the optical conversion efficiency 22.0% and the slope efficiency 25.7%

  20. Crystal growth, spectral and laser properties of Nd:LuAG single crystal

    Science.gov (United States)

    Xu, X. D.; Wang, X. D.; Meng, J. Q.; Cheng, Y.; Li, D. Z.; Cheng, S. S.; Wu, F.; Zhao, Z. W.; Xu, J.

    2009-09-01

    Nd:LuAG (Nd:Lu3Al5O12) crystal was grown by the Czochralski method. X-ray powder diffraction experiments show that the Nd:LuAG crystal crystallizes in the cubic with space group Ia3d and has the cell parameter: a = 1.1907 nm, V = 1.6882 nm3. The absorption and fluorescence spectra of Nd:LuAG crystal at room temperature were investigated. With a fiber-coupled diode laser as pump source, the continuous-wave (CW) laser action of Nd:LuAG crystal was demonstrated. The maximum output power at 1064 nm was obtained to be 3.8 W under the incident pump power of 17.3 W, with the optical conversion efficiency 22.0% and the slope efficiency 25.7%.

  1. Kyropoulos method for growth of nonlinear optical organic crystal ABP (4-aminobenzophenone) from the melt

    Science.gov (United States)

    Pan, Shoukui; Okano, Y.; Tsunekawa, S.; Fukuda, T.

    1993-03-01

    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.

  2. 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: lzorica@yahoo.com [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)

    2015-03-15

    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.

  3. Equipment for manufacture of single crystals by zone overlaying

    International Nuclear Information System (INIS)

    Richter, O.

    1981-01-01

    The patented equipment is designed for the manufacture of large-volume monocrystals without the use of a crucible. It consists of a heated backing on which the crystallization nucleus is placed, of a heater element in the form of a plate, rod, strip or prism with bent of tapered ends, and of a proportioning device. The heater element moves along the surface of the growing crystal melting the raw material being supplied and applying it to the whole crystal surface. The bent ends of the heater elements prevent the melt from expanding beyond the limits set by the two moving ends. Using suitably formed heater elements, monocrystals of complex shapes can be produced. (Ha)

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

    Science.gov (United States)

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

    1998-11-01

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

  5. Self-reporting inhibitors: single crystallization process to get two optically pure enantiomers.

    Science.gov (United States)

    Wan, Xinhua; Ye, Xichong; Cui, Jiaxi; Li, Bowen; Li, Na; Zhang, Jie

    2018-05-22

    Collection of two optically pure enantiomers in a single crystallization process can significantly increase the chiral separation efficiency but it's hard to realize nowadays. Herein we describe, for the first time, a self-reporting strategy for visualizing the crystallization process by a kind of dyed self-assembled inhibitors made from the copolymers with tri(ethylene glycol)-grafting polymethylsiloxane as main chains and poly(N6-methacryloyl-L-lysine) as side chains. When applied with seeds together for the fractional crystallization of conglomerates, the inhibitors can label the formation of the secondary crystals and guide us to completely separate the crystallization process of two enantiomers with colorless crystals as the first product and red crystals as the secondary product. This method leads to high optical purity of D/L-Asn·H2O (99.9 ee% for D-crystals and 99.5 ee% for L-crystals) in a single crystallization process. Moreover, it requires low feeding amount of additives and shows excellent recyclability. We foresee its great potential in developing novel chiral separation methods that can be used in different scales. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Organic Matter in Extraterrestrial Water-Bearing Salt Crystals

    Science.gov (United States)

    Chan, Q. H. S.; Zolensky, M. E.; Kebukwa, Y.; Fries, M.; Steele, A.

    2017-01-01

    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

  7. Ellipsometric studies of ErMnO3 single crystals

    DEFF Research Database (Denmark)

    Babonas, G.-J.; Grivel, Jean-Claude; Reza, A.

    2007-01-01

    Ellipsometric studies of ErMnO3 single crystals have been carried out in the spectral range of 1-5 eV by means of photometric ellipsometers. Experimental ellipsometric data were analysed in the uniaxial crystal model. For the first time, the components of dielectric function of ErMnO3 were...

  8. Stacking fault energy measurements in WSe2 single crystals using weak-beam techniques

    International Nuclear Information System (INIS)

    Agarwal, M.K.; Patel, J.V.; Patel, N.G.

    1981-01-01

    The weak-beam method of electron microscopy is used to observe threefold dislocations in WSe 2 single crystals grown by direct vapour transport method. The widths of the three fold ribbons are used to determine the stacking fault energy in these crystals. Variation of the width of the ribbons with temperature are also studied and discussed. (author)

  9. Electronic transport properties of pentacene single crystals upon exposure to air

    NARCIS (Netherlands)

    Jurchescu, OD; Baas, J; Palstra, TTM; Jurchescu, Oana D.

    2005-01-01

    We report the effect of air exposure on the electronic properties of pentacene single crystals. Air can diffuse reversibly in and out of the crystals and influences the physical properties. We discern two competing mechanisms that modulate the electronic transport. The presence of oxygen increases

  10. Nanoscience with liquid crystals from self-organized nanostructures to applications

    CERN Document Server

    Li, Quan

    2014-01-01

    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. Methods for producing single crystal mixed halide perovskites

    Science.gov (United States)

    Zhu, Kai; Zhao, Yixin

    2017-07-11

    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 21.degree. C.

  12. Single crystal and optical ceramic multicomponent garnet scintillators: A comparative study

    International Nuclear Information System (INIS)

    Wu, Yuntao; Luo, Zhaohua; Jiang, Haochuan; Meng, Fang; Koschan, Merry; Melcher, Charles L.

    2015-01-01

    Multicomponent garnet materials can be made in optical ceramic as well as single crystal form due to their cubic crystal structure. In this work, high-quality Gd 3 Ga 3 Al 2 O 12 :0.2 at% Ce (GGAG:Ce) single crystal and (Gd,Lu) 3 Ga 3 Al 2 O 12 :1 at% Ce (GLuGAG:Ce) optical ceramics were fabricated by the Czochralski method and a combination of hot isostatic pressing (HIPing) and annealing treatment, respectively. Under optical and X-ray excitation, the GLuGAG:Ce optical ceramic exhibits a broad Ce 3+ transition emission centered at 550 nm, while the emission peak of the GGAG:Ce single crystal is centered at 540 nm. A self-absorption effect in GLuGAG:Ce optical ceramic results in this red-shift of the Ce 3+ emission peak compared to that in the GGAG:Ce single crystal. The light yield under 662 keV γ-ray excitation was 45,000±2500 photons/MeV and 48,200±2410 photons/MeV for the GGAG:Ce single crystal and GLuGAG:Ce optical ceramic, respectively. An energy resolution of 7.1% for 662 keV γ-rays was achieved in the GLuGAG:Ce optical ceramic with a Hamamatsu R6231 PMT, which is superior to the value of 7.6% for a GGAG:Ce single crystal. Scintillation decay time measurements under 137 Cs irradiation show two exponential decay components of 58 ns (47%) and 504 ns (53%) for the GGAG:Ce single crystal, and 84 ns (76%) and 148 ns (24%) for the GLuGAG:Ce optical ceramic. The afterglow level after X-ray cutoff in the GLuGAG:Ce optical ceramic is at least one order of magnitude lower than in the GGAG:Ce single crystal. - Highlights: • GGAG:Ce single crystal and GLuGAG:Ce optical ceramics were fabricated. • The light yield of both ceramic and crystal G(Lu)GAG:Ce reached the level of 45,000 photons/MeV. • GLuGAG:Ce optical ceramic showed a better energy resolution of 7.1% for 662 keV. • GLuGAG:Ce ceramics exhibited lower afterglow level than that of GGAG:Ce single crystals. • The possible optimization strategies for multicomponent aluminate garnets are discussed

  13. Constructed Single-Crystal Rutile TiO_2 Cluster and Plasmon Synergistic Effect for Dye-Sensitized Solar Cells

    International Nuclear Information System (INIS)

    Yu, Wenjing; Sun, Weiwei; Liu, Yumin; Mehnane, Hadja Fatima; Liu, Haimin; Zhang, Kun; Cai, Bo; Liu, Wei; Guo, Shishang; Zhao, Xing-Zhong

    2015-01-01

    We demonstrate a method for incorporating plasmon metallic nanoparticles in hierarchical rutile TiO_2 clusters (RTC) assembled from single-crystal nanospindles. The RTC could efficiently improve the diffusion of the photoelectrons, which can be ascribed to the improvement of the connectivity by bridging the neighbouring microflowers through the single-crystal nanospindles. But not all the nanospindles are tightly interconnected, hence organic colloid has been prepared for post-treatment of the device based on RTC by the generation of TiO_2 nanoparticles. When added into Au nanoparticles, localized electric fields can be produced, because Au can excite dye molecules more intensively than incident far-field light. The surface plasmon synergistic effect had been investigated by Uv-vis absorption spectrum of Au@ organic colloid and the relative change of the IPCE. As a result, the cell based on RTC exhibits an overall conversion efficiency of 7.68%, indicating a 17% promotion compared with that derived from commercial P25 (6.58%) which could be ascribed to faster electron transfer of single-crystal nanospindles. With the Au nanoparticles incorporation in RTC, the device achieves a conversion efficiency of 9.15%, resulting in a 11% increase compared to the RTC device post-treated by organic colloid without Au nanoparticles (8.24%), which is attributed to the surface plasmon synergistic of Au nanoparticles.

  14. Single Crystal Piezomotor for Large Stroke, High Precision and Cryogenic Actuations, Phase I

    Data.gov (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...

  15. Mechanism of the superior mechanical strength of nanometer-sized metal single crystals revealed

    KAUST Repository

    Afify, N. D.; Salem, H. G.; Yavari, A.; El Sayed, Tamer S.

    2013-01-01

    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

  16. Ultrafast carrier dynamics in pentacene, functionalized pentacene, tetracene, and rubrene single crystals

    NARCIS (Netherlands)

    Ostroverkhova, O; Cooke, DG; Hegmann, FA; Anthony, JE; Podzorov, [No Value; Gershenson, ME; Jurchescu, OD; Palstra, TTM

    2006-01-01

    We measure the transient photoconductivity in pentacene, functionalized pentacene, tetracene, and rubrene single crystals using optical pump-terahertz probe techniques. In all of the samples studied, we observe subpicosecond charge photogeneration and a peak photoconductive response that increases

  17. On the growth of calcium tartrate tetrahydrate single crystals

    Indian Academy of Sciences (India)

    2016-08-26

    Aug 26, 2016 ... The grown crystals were characterized by atomic absorption spectroscopy (AAS), X-ray diffraction analysis (XRD), microhardness measurement, Fourier transform infrared spectroscopy (FTIR), thermogravimetry (TG) and differential thermal analysis (DTA). The results obtained are compared with the ...

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

    Indian Academy of Sciences (India)

    tion based on KTA crystal pumped by multi-axial Gaussian shape beam from Q- ... sensing, detection of trace gases, biology, medicine and in laser radar. .... figure that, there is a slight departure of the experimental value from the theo- retically ...

  19. On size-effects in single crystal wedge indentation

    DEFF Research Database (Denmark)

    Niordson, Christian Frithiof; Kysar, Jeffrey W.

    2012-01-01

    constitutive length parameters to model sizeeffects. The problem is studied numerically using a strain gradient crystal visco-plasticity theory formulated along the lines proposed by Fleck andWillis (2009). It is shown how the force-indentation relation is affected due to size-dependence in the material. Size...

  20. 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 ...