la2-xsrxcuo4 single crystals: Topics by Science.gov

Sample records for la2-xsrxcuo4 single crystals

Two-photon momentum density in La2-xSrxCuO4 and Nd2-xCexCuO4

NASA Astrophysics Data System (ADS)

Blandin, P.; Massidda, S.; Barbiellini, B.; Jarlborg, T.; Lerch, P.; Manuel, A. A.; Hoffmann, L.; Gauthier, M.; Sadowski, W.; Walker, E.; Peter, M.; Yu, Jaejun; Freeman, A. J.

1992-07-01

We present calculations of the electron-positron momentum density for the high-Tc superconductors La2-xSrxCuO4 and Nd2-xCexCuO4, together with experimental two-dimensional angular correlation of annihilation radiation (2D-ACAR) for Nd2-xCexCuO4. The calculations are based on first-principles electronic structure obtained using the full-potential linearized augmented-plane-wave and the linear muffin-tin orbital methods. Our results indicate a non-negligible overlap of the positron wave function with the CuO2 plane electrons responsible for the Fermi surfaces in these compounds. Therefore, these compounds may be well suited for investigating Fermi-surface-related effects. After the folding of umklapp terms according to Lock, Crisp, and West, the predicted Fermi-surface breaks are mixed with strong effects induced by the positron wave function in La2-xSrxCuO4, while their resolution is better in Nd2-xCexCuO4. A comparison of our calculations with the most recent experimental results for La2-xSrxCuO4 shows good agreement. For Nd2-xCexCuO4 good agreement is observed between theoretical and experimental 2D-ACAR profiles.
Field-induced thermal metal-to-insulator transition in underdoped La(2-x)Sr(x)CuO(4+delta).

PubMed

Hawthorn, D G; Hill, R W; Proust, C; Ronning, F; Sutherland, Mike; Boaknin, Etienne; Lupien, C; Tanatar, M A; Paglione, Johnpierre; Wakimoto, S; Zhang, H; Taillefer, Louis; Kimura, T; Nohara, M; Takagi, H; Hussey, N E

2003-05-16

The transport of heat and charge in cuprates was measured in single crystals of La(2-x)Sr(x)CuO(4+delta) (LSCO) across the doping phase diagram at low temperatures. In underdoped LSCO, the thermal conductivity is found to decrease with increasing magnetic field in the T-->0 limit, in striking contrast to the increase observed in all superconductors, including cuprates at higher doping. In heavily underdoped LSCO, where superconductivity can be entirely suppressed with an applied magnetic field, we show that a novel thermal metal-to-insulator transition takes place upon going from the superconducting state to the field-induced normal state.
Oxygen-vacancy behavior in La2-xSrxCuO4-y by positron annihilation and oxygen diffusion

NASA Astrophysics Data System (ADS)

Smedskjaer, L. C.; Routbort, J. L.; Flandermeyer, B. K.; Rothman, S. J.; Legnini, D. G.; Baker, J. E.

1987-09-01

Oxygen-diffusion and positron-annihilation results for La2-xSrxCuO4-y compounds are reported. A qualitative explanation of the observed results is given on the basis of a model in which the oxygen-vacancy concentration in La2-xSrxCuO4-y is determined by Sr2+ ion clustering on the La sublattice. This model also leads to a maximum in the Cu3+ ion concentration as a function of the Sr2+ ion concentration.
Oxygen Tracer Diffusion in LA(z-x) SR(X) CUO(4-y) Single Crystals

NASA Technical Reports Server (NTRS)

Opila, Elizabeth J.; Tuller, Harry L.; Wuensch, Berhardt J.; Maier, Joachim

1993-01-01

The tracer diffusion of O-18 in La(2-x)Sr(x)CuO(4-y) single crystals (x = 0 to 0.12) has been measured from 400 to 700 C in 1 atm of oxygen using SIMS analysis. Evidence for diffusion by a vacancy mechanism was found at low strontium contents. Oxygen diffusivities for x greater than or = 0.07 were depressed by several orders of magnitude below the diffusivity for undoped La2CuO(4+/-y). The observed effects of strontium doping on oxygen diffusivity are discussed in terms of defect chemical models. The decreasing oxygen diffusivity with increasing strontium was attributed to the ordering of oxygen vacancies at large defect concentrations. A diffusion anisotropy D(sub ab)/D(sub c) of nearly 600 was also found at 500 C.
Evolution of the electronic structure of La2-xSrxCuO4 with doping determined by positron-annihilation spectroscopy

NASA Astrophysics Data System (ADS)

Howell, R. H.; Sterne, P. A.; Fluss, M. J.; Kaiser, J. H.; Kitazawa, K.; Kojima, H.

1994-05-01

We have measured and calculated the electron-positron momentum distribution of La2-xSrxCuO4 samples for Sr concentrations of 0, 0.1, 0.13, and 0.2. Measured distributions were obtained at room temperature with high statistical precision, greater than 4×108 events, in the Lawrence Livermore National Laboratory positron-annihilation angular correlation spectrometer on single-crystal samples fabricated using the traveling solvent floating zone technique. Corresponding theoretical momentum-density calculations were performed using the linear muffin-tin-orbital method. The momentum distribution of all samples contained features derived from the overlap of the positron distribution with the valence electrons. In addition, discontinuities typical of a Fermi surface are seen in the doped samples. The form and position of these features are in general agreement with the Fermi surface and overall momentum distributions as predicted by band theory. However, the evolution of the Fermi surface with doping differed significantly from expectations based on single electron band theories.
Possible effect of oxygen content on the under-doped characteristics of the La2- xSrxCuO4+ δ compound

NASA Astrophysics Data System (ADS)

Zhang, Huanbo; Sato, Hiroshi; Liedl, Gerald L.

1994-12-01

The effect of oxygen non-stoichiometry on the superconducting characteristics of the La2- xSrxCuO4+ δ compound in the underdoped region ( x<0.16) is reassessed. Although superconductivity in the La2- xSrxCuO4+ δ compound can be unambiguously attributed to the holes in the CuO 2 sheet in the structure, the hole content (ϱ sh) cannot be regarded as equal to the Sr content, x, as was frequently assumed. The parabolic relation between Tc and x for La2- xSrxCuO4+ δ is shown to not fully represent the intrinsic relation between Tc and hole content for the p-type high- Tc cuprates, but to be related to the variation of oxygen non-stoichiometry in the under-doped region. It is demonstrated that the intrinsic relation of Tc vs. ϱ sh can be derived from the parabolic Tc- x relation in the under-doped region of this system, and vice versa, provided that the variation of oxygen content with x is properly taken into account.
Electronic specific heat and low-energy quasiparticle excitations in the superconducting state of La2-xSrxCuO4 single crystals

NASA Astrophysics Data System (ADS)

Wen, Hai-Hu; Liu, Zhi-Yong; Zhou, Fang; Xiong, Jiwu; Ti, Wenxing; Xiang, Tao; Komiya, Seiki; Sun, Xuefeng; Ando, Yoichi

2004-12-01

Low-temperature specific heat has been measured and extensively analyzed on a series of La2-xSrxCuO4 single crystals from underdoped to overdoped regime. From these data the quasiparticle density of state in the mixed state is derived and compared to the predicted scaling law Cvol/TH=f(T/H) of d -wave superconductivity. It is found that the scaling law can be nicely followed by the optimally doped sample (x=0.15) in quite a wide region of (T/H⩽8K/T) . However, the region for this scaling becomes smaller and smaller toward more underdoped region: a clear trend can be seen for samples from x=0.15to0.069 . Therefore, generally speaking, the scaling quality becomes worse on the underdoped samples in terms of scalable region of T/H . This feature in the underdoped region is explained as due to the low-energy excitations from a second order (for example, antiferromagnetic correlation, d -density wave, spin-density wave, or charge-density wave order) that may coexist or compete with superconductivity. Surprisingly, deviations from the d -wave scaling law have also been found for the overdoped sample (x=0.22) , while the scaling law is reconciled for the overdoped sample, when the core size effect is taken into account. An important discovery of present work is that the zero-temperature data follow the Volovik’s relation Δγ(T=0)=AH quite well for all samples investigated here; although the applicability of the d -wave scaling law to the data at finite temperatures varies with doped-hole concentration. We also present the doping dependence of some parameters, such as the residual linear term γ0 , the α value, etc. It is suggested that the residual linear term (γ0T) of the electronic specific heat observed in all cuprate superconductors is probably due to the inhomogeneity, either chemical or electronic in origin. The field-induced reduction of the specific heat in the mixed state is also reported. Finally, implications on the electronic phase diagram are suggested.
Bulk Fermi surface and momentum density in heavily doped La2-xSrxCuO4 using high-resolution Compton scattering and positron annihilation spectroscopies

NASA Astrophysics Data System (ADS)

Al-Sawai, W.; Barbiellini, B.; Sakurai, Y.; Itou, M.; Mijnarends, P. E.; Markiewicz, R. S.; Kaprzyk, S.; Wakimoto, S.; Fujita, M.; Basak, S.; Lin, H.; Wang, Yung Jui; Eijt, S. W. H.; Schut, H.; Yamada, K.; Bansil, A.

2012-03-01

We have observed the bulk Fermi surface (FS) in an overdoped (x=0.3) single crystal of La2-xSrxCuO4 by using Compton scattering. A two-dimensional (2D) momentum density reconstruction from measured Compton profiles yields a clear FS signature in the third Brillouin zone along [100]. The quantitative agreement between density functional theory (DFT) calculations and momentum density experiment suggests that Fermi-liquid physics is restored in the overdoped regime. In particular the predicted FS topology is found to be in good accord with the corresponding experimental data. We find similar quantitative agreement between the measured 2D angular correlation of positron annihilation radiation (2D-ACAR) spectra and the DFT-based computations. However, 2D-ACAR does not give such a clear signature of the FS in the extended momentum space in either the theory or the experiment.
Thermodynamics of Meissner effect and flux pinning behavior in the bulk of single-crystal La 2 - x Sr x CuO 4 ( x = 0.09 )

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

Dhiman, I.; Ziesche, R.; Anand, V. K.

We have studied the magnetic flux pinning behavior and Meissner effect for the high-more » $$T_{\\rm c}$$ single crystal La$$_{2-x}$$Sr$$_{x}$$CuO$$_{4}$$ ($x$ = 0.09) superconductor using the polarized neutron imaging method with varying magnetic field and temperature. In the Meissner state expulsion of magnetic field (switched on during the measurements) is visualized, and the signatures of mixed state with increasing temperature are observed. While, for flux pinning behavior between 5 K $$\\leq$$ $T$ $$\\leq$$ 15 K and $$H_{\\rm ext}$$ = 63.5 mT (switched off during the measurements), the evolution of fringe pattern for both 0$$^{o}$$ and 90$$^{o}$$ sample orientation indicates magnetic flux pinning inside the bulk of the sample. At 25 K $$\\leq$$ $T$ $$\\leq$$ 32 K, a continuous decrease of inhomogeneously distribution pinned magnetic flux is observed, with the sample reaching a normal conducting state at $$T_{\\rm c}$$ ($$\\approx$$ 32 K). The flux pinning behavior is also explored as a function of $$H_{\\rm ext}$$, at $T$ = 5 K. As expected, with increasing $$H_{\\rm ext}$$ an increase in fringe density is observed, indicating an increase in magnetic flux pinning in the bulk of the sample. Therefore, in the present work for the first time we report bulk visualization of Meissner effect and flux pinning behavior in high-$$T_{\\rm c}$$ La$$_{2-x}$$Sr$$_{x}$$CuO$$_{4}$$ ($x$ = 0.09) superconductor. This study clearly demonstrates the potential of real space polarized neutron imaging technique for the visualization of the superconducting mixed state, particularly in the field of high-$$T_{\\rm c}$$ superconductors.« less
Positron annihilation study of Sr Doping in La(2-x)Sr(x)CuO4

NASA Astrophysics Data System (ADS)

Sterne, P. A.; Howell, R. H.; Fluss, M. J.; Kaiser, J. H.

1993-04-01

A combined experimental and threshold study of effects of Sr doping on electronic structure of La(2-x)Sr(x)CuO(4) was presented. Electron-positron momentum distributions were measured to high statistical precision (greater than 4 x 10(exp 8) counts) at room temperature for samples with Sr concentrations of x = 0.0, 0.1, 0.13, and 0.2. Analysis of all four spectra reveal strong features due to electron-positron wavefunction overlap, in quantitative agreement with theoretical calculations. The Sr doped samples show discontinuities consistent with presence of a Fermi surface. The form and position of these features are in general agreement with the predictions of band theory. Correspondence between theory and experiment, as well as some differences, are revealed by a detailed study of the changes in electron-position momentum density with increasing Sr doping.
Theory of incommensurate magnetic correlations across the insulator-superconductor transition of underdoped La2-xSrxCuO4.

PubMed

Sushkov, Oleg P; Kotov, Valeri N

2005-03-11

The main feature in the elastic neutron scattering of La2-xSrxCuO4 is the existence of incommensurate peaks with positions that jump from 45 degrees to 0 degrees at 5% doping. We show that the spiral state of the t-t(')-t('')-J model with realistic parameters describes these data perfectly. We explain why in the insulator the peak is at 45 degrees while it switches to 0 degrees precisely at the insulator-metal transition. The calculated positions of the peaks are in agreement with the data in both phases.
Synthesis from separate oxide targets of high quality La2-xSrxCuO4 thin films and dependence with doping of their superconducting transition width

NASA Astrophysics Data System (ADS)

Cotón, N.; Mercey, B.; Mosqueira, J.; Ramallo, M. V.; Vidal, F.

2013-07-01

A series of superconducting La2-xSrxCuO4 thin films, with 0.09 ≲ x ≲ 0.22, is grown over (100)SrTiO3 substrates by means of a novel pulsed laser deposition method devised to increase the homogeneity and control of doping. We employ two separate parent oxide targets that receive ablation shots at arbitrary computer-controlled relative rates, instead of the conventional procedure that uses a single target whose doping determines the one of the film. We characterize the films both through conventional techniques (XRD, SEM, AFM and EDX) and by measuring their superconducting transition with a high-sensitivity SQUID magnetometer. The latter allows one to determine not only their average critical temperatures {\\bar {T}}_{{c}}(x) but also their dispersions due to inhomogeneities, ΔTc(x). For {\\bar {T}}_{{c}}(x) we obtain the conventional parabolic law centered at x = 0.16, plus a Gaussian depression near x = 1/8 with a {\\bar {T}}_{{c}}-height of about 5 K and x-width about 0.03. For ΔTc(x) we obtain, for all the dopings, values among the lowest reported up to now for La2-xSrxCuO4. The ΔTc(x) dependence can be explained in terms of the unavoidable randomness of the positioning of the Sr ions (the so-called intrinsic chemical inhomogeneity) and a separate residual Tc-inhomogeneity contribution of the order of 0.5 K, this last associated with the samples’ structural inhomogeneities and films’ substrate.
Optical spectra of La2-xSrxCuO4: Effect of carrier doping on the electronic structure of the CuO2 plane

NASA Astrophysics Data System (ADS)

Uchida, S.; Ido, T.; Takagi, H.; Arima, T.; Tokura, Y.; Tajima, S.

1991-04-01

Optical reflectivity spectra are studied for single crystals of the prototypical high-Tc system La2-xSrxCuO4 over a wide compositional range 0<=x<=0.34, which covers insulating, superconducting, and normal metallic phases. The measurements are made at room temperature over an energy range from 0.004 to 35 eV for the polarization parallel to the CuO2 planes. They are also extended to the perpendicular polarization to study anisotropy and to discriminate the contribution from the CuO2 plane. The present study focuses on the x dependence of the optical spectrum, which makes it possible to sort out the features of the excitations in the CuO2 plane and thus to characterize the electronic structure of the CuO2 plane in the respective phase. Upon doping into the parent insulator La2CuO4 with a charge-transfer energy gap of about 2 eV the spectral weight is rapidly transferred from the charge-transfer excitation to low-energy excitations below 1.5 eV. The low-energy spectrum is apparently composed of two contributions; a Drude-type one peaked at ω=0 and a broad continuum centered in the midinfrared range. The high-Tc superconductivity is realized as doping proceeds and when the transfer of the spectrum weight is saturated. The resulting spectrum in the high-Tc regime is suggestive of a strongly itinerant character of the state in the moderately doped CuO2 plane while appreciable weight remains in the charge-transfer energy region. The spectrum exhibits a second drastic change for heavy doping (x~0.25) corresponding to the superconductor-to-normal-metal transition and becomes close to that of a Fermi liquid. The results are universal for all the known cuprate superconductors including the electron-doped compounds, and they reconcile the dc transport properties with the high-energy spectroscopic results.
Enhanced charge density wave order in La2-xSrxCuO4 at high magnetic field.

NASA Astrophysics Data System (ADS)

He, Wei; Wen, Jiajia; Jang, Hoyoung; Nojiri, Hiroyuki; Matsuzawa, Satoshi; Song, Sanghoon; Chollet, Matthieu; Zhu, Diling; Fujita, Masaki; Rotundu, Costel R.; Sheckelton, John P.; Jiang, Mingde; Kao, Chi-Chang; Lee, Jun-Sik; Lee, Young S.

There has been much recent interest in the charge density wave (CDW) order in the cuprate superconductors. An intriguing form of the density wave occurs in the La2CuO4-based family where both the charge and spin form ``stripes'' near 1/8 doping. Charge order has been reported in La2-xSrxCuO4 (LSCO) in zero magnetic field near 1/8 doping that was enhanced in moderate DC fields (up to 10 T). In this talk, I will discuss our recent experiment which combines a pulsed magnet with the x-rays from a free electron laser to characterize the CDW in LSCO with x =0.115 in fields up to 24 Tesla. In contrast to the YBCO family, which shows field-induced 3D CDW order, the field-enhanced CDW order in LSCO remains two-dimensional up to 24 T. Further results regarding the field-dependence and zero-field behavior of the CDW will be discussed. Our study provides important information on the interplay between CDW order and high-Tc superconductivity. This work was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division, under contract DE-AC02-76SF00515.
Logarithmic field dependence of the Thermal Conductivity in La_2-xSr_xCuO_4

NASA Astrophysics Data System (ADS)

Krishana, K.; Ong, N. P.; Kimura, T.

1997-03-01

We have investigated the thermal conductivity κ of La_2-xSr_xCuO4 in fields B upto 14 tesla. To minimize errors caused by the field sensitivity of the thermocouple sensors, we used a sensitive null-detection technique. We find that below Tc κ varies as -logB in high fields and in the low field limit it approaches a constant. The κ vs. B data at these temperatures collapse to a universal curve , which fits very well to an expression involving the digamma function and reminiscent of 2-D weak localization. The field scale derived from this scaling is linear in T. The logarithmic dependence of κ strongly suggests an electronic origin for anomaly in κ below T_c. Our experiment precludes conventional vortex scattering of phonons as the source of the anomaly. The data fit poorly to these models and the derived mean-free-paths are non monotonic and 5 to 8 times larger than obtained from heat capacity. Also comparison of the x=0.17 and x=0.08 samples give field scales opposite to what is expected from vortex scattering.
Electronic and energetics properties of oxygen defects in La2-xSrxCuO4 in relation to doping and strain

NASA Astrophysics Data System (ADS)

Park, Sohee; Park, Changwon; Yoon, Mina

The level of oxygen defects in La2-xSrxCuO4 (LSCO), a high temperature superconductor, is known to drastically change LSCO's structural and electronic properties. However, the atomistic understanding of the role of oxygen defects is far from being complete. Using first-principles calculations, we investigated the electronic and energetic properties of oxygen vacancies in LSCO in relation to external parameters such as degree of Sr doping amount and external strain. We find that the relative stabilities between the equatorial vacancy induced in the CuO2 layer and the apical vacancy in the LaO layer can be altered by strain. In addition, Sr doping plays a crucial role in their relative stabilities. Therefore, the complex interplay between those key parameters essentially determines the overall oxygen density. Our finding can be instrumental in the experimental development of LSCO with desired oxygen density. Work supported by the LDRD Program of ORNL managed by UT-Battle, LLC, for the U.S. DOE.
Resonant inelastic x-ray scattering studies of magnons and bimagnons in the lightly doped cuprate La2 -xSrxCuO4

NASA Astrophysics Data System (ADS)

Chaix, L.; Huang, E. W.; Gerber, S.; Lu, X.; Jia, C.; Huang, Y.; McNally, D. E.; Wang, Y.; Vernay, F. H.; Keren, A.; Shi, M.; Moritz, B.; Shen, Z.-X.; Schmitt, T.; Devereaux, T. P.; Lee, W.-S.

2018-04-01

We investigated the doping dependence of magnetic excitations in the lightly doped cuprate La2 -xSrxCuO4 via combined studies of resonant inelastic x-ray scattering (RIXS) at the Cu L3 edge and theoretical calculations. With increasing doping, the magnon dispersion is found to be essentially unchanged, but the spectral width broadens and the spectral weight varies differently at different momenta. Near the Brillouin zone center, we directly observe bimagnon excitations that possess the same energy scale and doping dependence as previously observed by Raman spectroscopy. They disperse weakly in energy-momentum space, and they are consistent with a bimagnon dispersion that is renormalized by the magnon-magnon interaction at the zone center.
Emergence of superconductivity from the dynamically heterogeneous insulating state in La(2-x)Sr(x)CuO4.

PubMed

Shi, Xiaoyan; Logvenov, G; Bollinger, A T; Božović, I; Panagopoulos, C; Popović, Dragana

2013-01-01

A central issue for copper oxides is the nature of the insulating ground state at low carrier densities and the emergence of high-temperature superconductivity from that state with doping. Even though this superconductor-insulator transition (SIT) is a zero-temperature transition, measurements are not usually carried out at low temperatures. Here we use magnetoresistance to probe both the insulating state at very low temperatures and the presence of superconducting fluctuations in La(2-x)Sr(x)CuO(4) films, for doping levels that range from the insulator to the superconductor (x = 0.03-0.08). We observe that the charge glass behaviour, characteristic of the insulating state, is suppressed with doping, but it coexists with superconducting fluctuations that emerge already on the insulating side of the SIT. The unexpected quenching of the superconducting fluctuations by the competing charge order at low temperatures provides a new perspective on the mechanism for the SIT.
Magnetic correlations in La(2-x)Sr(x)CuO4 from NQR relaxation and specific heat

NASA Technical Reports Server (NTRS)

Borsa, F.; Rigamonti, A.

1990-01-01

La-139 and Cu-63 Nuclear Quadrupole Resonance (NQR) relaxation measurements in La(2-x)Sr(x)CuO4 for O = to or less than 0.3 and in the temperature range 1.6 + 450 K are analyzed in terms of Cu(++) magnetic correlations and dynamics. It is described how the magnetic correlations that would result from Cu-Cu exchange are reduced by mobile charge defects related to x-doping. A comprehensive picture is given which explains satisfactorily the x and T dependence of the correlation time, of the correlation length and of the Neel temperature T(sub n)(x) as well as being consistent with known electrical resistivity and magnetic susceptibility measurements. It is discussed how, in the superconducting samples, the mobile defects also cause the decrease, for T yields T(sub c)(+) of the hyperfine Cu electron-nucleus effective interaction, leading to the coexistence of quasi-localized, reduced magnetic moments from 3d Cu electrons and mobile oxygen p-hole carriers. The temperature dependence of the effective hyperfine field around the superconducting transition yields an activation energy which could be related to the pairing energy. New specific heat measurements are also presented and discussed in terms of the above picture.
Two superconducting transitions in single-crystal La 2 - x Ba x CuO 4

DOE PAGES

Tee, X. Y.; Ito, T.; Ushiyama, T.; ...

2017-02-27

Here, we use spatially-resolved transport techniques to investigate the superconducting properties of single crystals La 2-xBa xCuO 4. We also found a superconducting transition temperature T cs associated with the ab-plane surface region which is considerably higher than the bulk T c. This effect is pronounced in the region of charge carrier doping x with strong spin-charge stripe correlations, reaching T cs = 36 K or 1.64T c.

Interfaces in La2NiO4- La2CuO4 superlattices

NASA Astrophysics Data System (ADS)

Smadici, S.; Lee, J. C. T.; Wang, S.; Abbamonte, P.; Logvenov, G.; Gozar, A.; Bozovic, I.

2009-03-01

Ni substitution on Cu sites in underdoped La2-xSrxCuO4 quickly restores Neel order. This was attributed to strong interaction between the Ni and doped holes. An open question was whether the additional Ni empty orbital or the different spin on Ni sites was at the origin of this strong interaction. We have addressed this problem with resonant soft x-ray scattering on a La2NiO4- La2CuO4 heterostructure. La2NiO4 and La2CuO4 have close lattice structures and electronic configurations. However, the x-ray scattering contrast between superlattice layers is greatly enhanced at soft x-ray resonant energies. Based on our measurements at the O K, La M, Cu L and Ni L edges a model of the charge, orbital and spin structures in these superlattices will be presented with a special emphasis on the interface region. This work was supported by Grants. DE-FG02- 06ER46285, DE-AC02-98CH10886, MA-509-MACA, DE-FG02-07ER46453 and DE-FG02-07ER46471.
Anisotropy of the penetration depth in La2-xSrxCuO4 in underdoped and overdoped regions

NASA Astrophysics Data System (ADS)

Zaleski, A. J.; Klamut, J.

1999-12-01

We present the results of measurements of the penetration depth anisotropy in pulverized, ceramic La2-xSrxCuO4. The measurements were carried out for x = 0.08, 0.1, 0.125, 0.15 and 0.2. The powdered samples, immersed in wax, were magnetically oriented in a static magnetic field of 10 T. The penetration depth in the a-b plane, icons/Journals/Common/lambda" ALT="lambda" ALIGN="TOP"/>ab, and perpendicular to it, icons/Journals/Common/lambda" ALT="lambda" ALIGN="TOP"/>icons/Journals/Common/perp" ALT="perp" ALIGN="MIDDLE"/>, were derived from alternating-current susceptibility measurements. For underdoped samples they both vary linearly with temperature (for the low-temperature region), while for the samples from the overdoped region the measured points can be fitted by an exponential function. These results support Uemura's picture (Uemura Y J 1997 Physica C 282-287 194) of crossover from Bose-Einstein condensation to a Bardeen-Cooper-Schrieffer mechanism of superconductivity. The penetration depth values extrapolated to T = 0 may be described by a quadratic function of the strontium concentration (for both icons/Journals/Common/lambda" ALT="lambda" ALIGN="TOP"/>ab and icons/Journals/Common/lambda" ALT="lambda" ALIGN="TOP"/>icons/Journals/Common/perp" ALT="perp" ALIGN="MIDDLE"/>). The anisotropy of the penetration depth as a function of the substitution shows a similar dependence to the critical temperature Tc(x).
Contact spectroscopy of high-temperature superconductors (Review). I - Physical and methodological principles of the contact spectroscopy of high-temperature superconductors. Experimental results for La(2-x)Sr(x)CuO4 and their discussion

NASA Astrophysics Data System (ADS)

Ianson, I. K.

1991-03-01

Research in the field of high-temperature superconductors based on methods of tunneling and microcontact spectroscopy is reviewed in a systematic manner. The theoretical principles of the methods are presented, and various types of contacts are described and classified. Attention is given to deviations of the measured volt-ampere characteristics from those predicted by simple theoretical models and those observed for conventional superconductors. Results of measurements of the energy gap and fine structure of volt ampere characteristic derivatives are presented for La(2-x)Sr(x)CuO4.
Crystal structures of the new ternary stannides La3Mg4-xSn2+x and LaMg3-xSn2

NASA Astrophysics Data System (ADS)

Solokha, P.; De Negri, S.; Minetti, R.; Proserpio, D. M.; Saccone, A.

2016-01-01

Synthesis and structural characterization of the two new lanthanum-magnesium-stannides La3Mg4-xSn2+x (0.12≤x≤0.40) and LaMg3-xSn2 (0.33≤x≤0.78) are reported. The crystal structures of these intermetallics were determined by single crystal X-ray diffraction analysis and confirmed by Rietveld refinement of powder X-ray diffraction patterns of the corresponding samples. The La3Mg4-xSn2+x phase crystallizes in the hexagonal Zr3Cu4Si2 structure type (P6bar2m, hP9, Z=3, x=0.12(1), a=7.7974(7), c=4.8384(4) Å), which represents an ordered derivative of the hP9-ZrNiAl prototype, ubiquitous among equiatomic intermetallics. The LaMg3-xSn2 phase is the second representative of the trigonal LaMg3-xGe2 type, which is a superstructure of the LaLi3Sb2 structure type (P3bar1c, hP34-0.12, Z=6, x=0.35(1), a=8.3222(9), c=14.9546(16) Å). The scheme describing the symmetry reduction/coloring with respect to the parent type is reported here with the purpose to discuss the LaMg3-xSn2 off-stoichiometry from the geometrical point of view. Structural relationships between the La-Mg-Sn ternary phases, including the already known equiatomic LaMgSn compound (oP12-TiNiSi), are presented in the framework of the AlB2-related compounds family and discussed with the aid of group-subgroup relations in the Bärnighausen formalism.
Persistence of magnetic excitations in La(2-x)Sr(x)CuO4 from the undoped insulator to the heavily overdoped non-superconducting metal.

PubMed

Dean, M P M; Dellea, G; Springell, R S; Yakhou-Harris, F; Kummer, K; Brookes, N B; Liu, X; Sun, Y-J; Strle, J; Schmitt, T; Braicovich, L; Ghiringhelli, G; Božović, I; Hill, J P

2013-11-01

One of the most intensely studied scenarios of high-temperature superconductivity (HTS) postulates pairing by exchange of magnetic excitations. Indeed, such excitations have been observed up to optimal doping in the cuprates. In the heavily overdoped regime, neutron scattering measurements indicate that magnetic excitations have effectively disappeared, and this has been argued to cause the demise of HTS with overdoping. Here we use resonant inelastic X-ray scattering, which is sensitive to complementary parts of reciprocal space, to measure the evolution of the magnetic excitations in La(2-x)Sr(x)CuO4 across the entire phase diagram, from a strongly correlated insulator (x = 0) to a non-superconducting metal (x = 0.40). For x = 0, well-defined magnon excitations are observed. These magnons broaden with doping, but they persist with a similar dispersion and comparable intensity all the way to the non-superconducting, heavily overdoped metallic phase. The destruction of HTS with overdoping is therefore caused neither by the general disappearance nor by the overall softening of magnetic excitations. Other factors, such as the redistribution of spectral weight, must be considered.
Growth and electrical transport properties of La 0.7 Sr 0.3 MnO 3 thin films on Sr 2 IrO 4 single crystals

DOE PAGES

Moon, E. J.; May, A. F.; Shafer, P.; ...

2017-04-20

Here, we report the physical properties of La 0.7 Sr 0.3 MnO 3 thin films on Sr 2 IrO 4 single crystals. We also deposited the manganite films using oxide molecular beam epitaxy on flux-grown (001)-oriented iridate crystals. Temperature-dependent magnetotransport and x-ray magnetic circular dichroism measurements reveal the presence of a ferromagnetic metallic ground state in the films, consistent with films grown on SrTiO 3 and La 0.3 Sr 0.7 Al 0.65 Ta 0.35 O 3 . A parallel resistance model is used to separate conduction effects within the Sr 2 IrO 4 substrate and the La 0.7 Sr 0.3more » MnO 3 thin films, revealing that the measured resistance maximum does not correspond to the manganite Curie temperature but results from a convolution of properties of the near-insulating substrate and metallic film. Furthermore, the ability to grow and characterize epitaxial perovskites on Sr 2 IrO 4 crystals enables a new route for studying magnetism at oxide interfaces in the presence of strong spin-orbit interactions.« less
Optical anisotropy of Bi2Sr2CaCu2O8

NASA Astrophysics Data System (ADS)

Kim, J. H.; Bozovic, I.; Mitzi, D. B.; Kapitulnik, A.; Harris, J. S., Jr.

1990-04-01

The optical anisotropy of Bi2Sr2CaCu2O8 in the 0.08-0.5-eV region is investigated by polarized reflectance measurements on single crystals. A very large anisotropy is found in this spectral region. The in-plane reflectance exhibits metallic behavior, while the c-axis reflectance exhibits insulatorlike behavior. This result is consistent with the large anisotropy found in the resistivity of Bi2Sr2CaCu2O8. Our spectroscopic data suggest that Bi2Sr2CaCu2O8 is a quasi-two-dimensional metal similar to La2-xSrxCuO4.
The 1201 superconductors Hg1-y(VO4)y(Ba, Sr)2CuO4-2y+δ: evidence for VO4 tetrahedra

NASA Astrophysics Data System (ADS)

Malo, S.; Hervieu, M.; Maignan, A.; Knížek, K.; Raveau, B.; Michel, C.

1997-02-01

A series of mercury based cuprates with nominal composition Hg1-yV(y)Ba2-xSrxCuO4+2y+δ has been prepared for x = 0, 0.25, 0.5, 0.75, 1 and 1.25. The actual solid solution limit from the EDS measurement is x = 1.1, y ranges from 0.2 to 0.35. The single crystal study coupled with high resolution electron microscopy shows for the first time the presence of VO4 tetrahedra replacing partly the mercury atoms according to the formulation Hg1-y(VO4)y(Ba,Sr)2 CuO4-2y+δ. The role of vanadium for the stabilisation of the structure and as a doping agent in the superconducting properties is discussed.
Crystal-field analysis of U3+ ions in K2LaX5 (X=Cl, Br or I) single crystals

NASA Astrophysics Data System (ADS)

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

1998-11-01

An analysis of low temperature absorption spectra of U3+ ions doped in K2LaX5 (X=Cl, Br or I) single crystals is reported. The energy levels of the U3+ ion in the single crystals were assigned and fitted to a semiempirical Hamiltonian representing the combined atomic and crystal-field interactions at the Cs symmetry site. An analysis of the nephelauxetic effect and crystal-field splittings in the series of compounds is also reported.
Electrical and thermoluminescence properties of γ-irradiated La2CuO4 crystals

NASA Astrophysics Data System (ADS)

El-Kolaly, M. A.; Abd El-Kader, H. I.; Kassem, M. E.

1994-12-01

Measurements of the electrical properties of unirradiated as well as ?-irradiated La2CuO4 crystals were carried out at different temperatures in the frequency range of 0.1-100 kHz. Thermoluminescence (TL) studies were also performed on such crystals in the temperature range of 300-600K. The conductivity of the unirradiated La2CuO4 crystals were found to obey the power law frequency dependence at each measured temperature below the transition temperature (Tc = 450K). The activation energies for conduction and dielectric relaxation time have been calculated. The TL response and the dc resistance were found to increase with ?-irradiation dose up to 9-10 kGy. The results showed that the ferroelastic domain walls of La2CuO4 crystal as well as its TL traps are sensitive to ?-raditaion. This material can be used in radiation measurements in the range 225 Gy-10 kGy.
Czochralski growth of LaPd2Al2 single crystals

NASA Astrophysics Data System (ADS)

Doležal, P.; Rudajevová, A.; Vlášková, K.; Kriegner, D.; Václavová, K.; Prchal, J.; Javorský, P.

2017-10-01

The present study is focused on the preparation of single crystalline LaPd2Al2 by the Czochralski method. Differential scanning calorimetry (DSC) and energy dispersive X-ray spectroscopy (EDX) analyses reveal that LaPd2Al2 is an incongruently melting phase which causes difficulties for the preparation of single crystalline LaPd2Al2 by the Czochralski method. Therefore several non-stoichiometric polycrystalline samples were studied for its preparation. Finally the successful growth of LaPd2Al2 without foreign phases has been achieved by using a non-stoichiometric precursor with atomic composition 22:39:39 (La:Pd:Al). X-ray powder diffraction, EDX analysis and DSC were used for the characterisation. A single crystalline sample was separated from the ingot prepared by the Czochralski method using the non-stoichiometric precursor. The presented procedure for the preparation of pure single phase LaPd2Al2 could be modified for other incongruently melting phases.
Impurity optical absorption spectra of ZnGa 2Se 4:Ni 2+ single crystals

NASA Astrophysics Data System (ADS)

Kim, Wha-Tek; Jin, Moon-Seog; Cheon, Seung-Ho; Kim, Yong-Geun; Park, Byong-Seo

1990-04-01

The optical absorption of single crystals of ZnGa 2Se 4:Ni 2+ grown by the chemical transport reaction method was investigated in the temperature region 20-300 K. In the single crystals the impurity optical absorption peaks due to the transitions 3T1( 3F) → 3T2( 3F), 3T1( 3F) → 3A2( 3F) and 3T1( 3F) → 3T1( 3P) of the Ni 2+ ions sited in the host lattice of the ZnGa 2Se 4 single crystal with Td symmetry appeared at 4444, 7874 and 11 600 cm -1, respectively. The crystal-field parameter and the Racah parameter were given by Dq = 340 cm -1 and B = 615 cm -1, respectively. The peak due to the transition 3T1( 3F) → 3T1( 3P) split into four levels by first order spin-orbit-coupling effects of Ni 2+ ions in the lower temperature below 150 K. The spin-orbit-coupling parameter was found to be λ = -400 cm -1.
Structure of Cs{sub 4}(HSO{sub 4}){sub 3}(H{sub 2}PO{sub 4}) single crystals

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

Makarova, I. P., E-mail: makarova@crys.ras.ru; Grebenev, V. V.; Vasil’ev, I. I.

2016-01-15

Single crystals of Cs{sub 4}(HSO{sub 4}){sub 3}(H{sub 2}PO{sub 4}) are synthesized and studied for the first time. The new compound is found in the course of studies of the phase diagram of the CsHSO{sub 4}–CsH{sub 2}PO{sub 4}–H{sub 2}O triple system. Data on the atomic crystal structure of single-crystalline and powder specimens, as well as on structural phase transitions, are obtained.
Flux growth of high-quality CoFe 2O 4 single crystals and their characterization

NASA Astrophysics Data System (ADS)

Wang, W. H.; Ren, X.

2006-04-01

We report the growth of high-quality CoFe 2O 4 single crystals using a borax flux method. The crystals were characterized by powder X-ray diffraction, electron probe microanalysis and Raman spectroscopy. We found the crystals are flux-free and highly homogeneous in composition. X-ray rocking curves of the CoFe 2O 4 single crystals showed a full-width at half-maximum of 0.15°. The saturation magnetization of the CoFe 2O 4 single crystals was measured to be 90 emu/g or equivalently 3.65 μ B/f.u. at 5 K.
HOPPING CONDUCTIVITY AND MAGNETIC TRANSITIONS OF THE Cu2+ SPINS IN SINGLE-CRYSTAL La2CuO4+y

NASA Astrophysics Data System (ADS)

Thio, Tineke; Birgeneau, R. J.; Chen, C. Y.; Freer, B. S.; Gabbe, D. R.; Jenssen, H. P.; Kastner, M. A.; Picone, P. J.; Preyer, N. W.

Measurements are reported of the magnetoresistance (MR) for fields up to 23T in La2CuO4+y single crystals in which the Cu2+ spins order antiferromagnetically at TN˜240K, and in which the conductivity at low temperature is characterised by hopping between localised states. Using the MR, we map out the phase diagram of the spin flop transition, observed when the magnetic field is applied parallel to the zero-field staggered magnetisation, and that of the weak-ferromagnetic transition, observed with the field perpendicular to the CuO planes. In both transitions the antiferromagnetic propagation vector changes from the ěca direction at zero field to the ěcc direction at the highest fields. This rather subtle change of the Cu spin ordering is accompanied by a large increase in the interlayer hopping conductivity: up to a factor 2. We show that the magnetoconductance is proportional to the three-dimensional staggered moment with propagation vector in the orthorhombic ěcc direction. The origin of this unusual behaviour is an important unsolved problem.
Single crystal synthesis and magnetism of the Ba Ln 2O 4 family ( Ln = lanthanide)

DOE PAGES

Besara, Tiglet; Lundberg, Matthew S.; Sun, Jifeng; ...

2014-05-27

The series of compounds in the Ba Ln 2O 4 family (Ln = La–Lu, Y) has been synthesized for the first time in single crystalline form, using a molten metal flux. The series crystallizes in the CaV 2O 4 structure type with primitive orthorhombic symmetry (space group Pnma, #62), and a complete structural study of atomic positions, bonds, angles, and distortions across the lanthanide series is presented. With the exception of the Y, La, Eu, and Lu members, magnetic susceptibility measurements were performed between 2 K and 300 K. BaCe 2O 4 and BaYb 2O 4 display large crystal fieldsmore » effects and suppression of magnetic ordering. As a result, all compounds show signs of magnetic frustration due to the trigonal arrangements of the trivalent lanthanide cations in the structure.« less
Benzil: 2-methyl-4-nitroaniline binary single crystals for nonlinear optical applications

NASA Astrophysics Data System (ADS)

Choi, Jaeho; Aggarwal, Mohan D.; Wang, Wen Shan; Penn, Benjamin G.; Frazier, Donald O.

1999-06-01

Benzil:MNA binary organic single crystals have been grown to overcome decomposition tendency and improve mechanical properties of 2-methyl-4-nitroaniline (MNA) which is known to be one of the best organic NLO material. Single crystals of binary system have grown using a transparent Bridgman- Stockbarger system which has fabricated to monitor the growth process. The growth conditions for the flat solid- liquid interface are optimized for the different dopant concentration of benzil. The melt in the self-sealing ampoule is maintained in liquid state without decomposition up to 2 weeks which allows us to grow 20 mm long single crystals. Hardness of 5wt% benzil:MNA is measured to be 13 Kg/mm2 which is 45% higher than benzil. The conversion efficiency of second-harmonic generation is found to be 1.5% with 4.5 mm interaction length. Since MNA is phase-matchable material, this efficiency could be comparable to commercial KDP. Surface quality of binary crystals has maintained its initial condition in air without absorption of water vapor which may be the main cause of surface degradation.
Arc-melting preparation of single crystal LaB.sub.6 cathodes

DOEpatents

Gibson, Edwin D.; Verhoeven, John D.

1977-06-21

A method for preparing single crystals of lanthanum hexaboride (LaB.sub.6) by arc melting a rod of compacted LaB.sub.6 powder. The method is especially suitable for preparing single crystal LaB.sub.6 cathodes for use in scanning electron microscopes (SEM) and scanning transmission electron microscopes (STEM).
High-quality single crystal growth and magnetic property of Mn4Ta2O9

NASA Astrophysics Data System (ADS)

Cao, Yiming; Xu, Kun; Yang, Ya; Yang, Wangfan; Zhang, Yuanlei; Kang, Yanru; He, Xijia; Zheng, Anmin; Liu, Mian; Wei, Shengxian; Li, Zhe; Cao, Shixun

2018-06-01

A large-size single crystal of Mn4Ta2O9 with ∼3.5 mm in diameter and ∼65 mm in length was successfully grown for the first time by a newly designed one-step method based on the optical floating zone technique. Both the clear Laue spots and sharp XRD Bragg reflections suggest the high quality of the single crystal. In Mn4Ta2O9 single crystal, an antiferromagnetic phase transition was observed below Néel temperature 102 K along c axis, which is similar to the isostructural compound Mn4Nb2O9, but differs from the isostructural Co4Nb2O9. Relative dielectric constant at 30 kOe suggests that no magnetoelectric coupling exists in Mn4Ta2O9.
Anomalous red luminescence of Sm3+ ions in Sm3+:LaKNaTaO5 single crystals

NASA Astrophysics Data System (ADS)

Korzeniowski, Kamil; Sobczyk, Marcin

2018-05-01

For the first time much more intense 4G5/2 → 6H9/2 transition than others 4G5/2→6HJ/2 transitions of the Sm3+-doped oxides have been observed. The Sm3+-doped LaKNaTaO5 single crystals have been grown by the flux growth method. The emission and excitation spectra as well as decay profiles of the 4G5/2 luminescent level of the Sm3+ ion have been measured. The decay curve has been fitted by the Inokuti-Hirayama energy transfer model which revealed that electric dipole-dipole interaction is responsible for the energy transfer processes in the Sm3+:LaKNaTaO5 single crystals. The title phosphors may be potentially used as red phosphor for white light-emitting diodes.

Crystal structures of the new ternary stannides La{sub 3}Mg{sub 4−x}Sn{sub 2+x} and LaMg{sub 3−x}Sn{sub 2}

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

Solokha, P., E-mail: pavlo.solokha@unige.it; De Negri, S.; Minetti, R.

2016-01-15

Synthesis and structural characterization of the two new lanthanum–magnesium–stannides La{sub 3}Mg{sub 4−x}Sn{sub 2+x} (0.12≤x≤0.40) and LaMg{sub 3−x}Sn{sub 2} (0.33≤x≤0.78) are reported. The crystal structures of these intermetallics were determined by single crystal X-ray diffraction analysis and confirmed by Rietveld refinement of powder X-ray diffraction patterns of the corresponding samples. The La{sub 3}Mg{sub 4−x}Sn{sub 2+x} phase crystallizes in the hexagonal Zr{sub 3}Cu{sub 4}Si{sub 2} structure type (P6¯2m, hP9, Z=3, x=0.12(1), a=7.7974(7), c=4.8384(4) Å), which represents an ordered derivative of the hP9-ZrNiAl prototype, ubiquitous among equiatomic intermetallics. The LaMg{sub 3–x}Sn{sub 2} phase is the second representative of the trigonal LaMg{sub 3−x}Ge{sub 2}more » type, which is a superstructure of the LaLi{sub 3}Sb{sub 2} structure type (P3¯1c, hP34-0.12, Z=6, x=0.35(1), a=8.3222(9), c=14.9546(16) Å). The scheme describing the symmetry reduction/coloring with respect to the parent type is reported here with the purpose to discuss the LaMg{sub 3−x}Sn{sub 2} off-stoichiometry from the geometrical point of view. Structural relationships between the La–Mg–Sn ternary phases, including the already known equiatomic LaMgSn compound (oP12-TiNiSi), are presented in the framework of the AlB{sub 2}-related compounds family and discussed with the aid of group-subgroup relations in the Bärnighausen formalism. - Graphical abstract: Crystal structure of LaMg{sub 3−x}Sn{sub 2} viewed along the (001) direction together with the puckered layer of Mg and Sn atoms hosting Mg2, Mg3 and vacancy □. - Highlights: • Crystal structures of the new La{sub 3}Mg{sub 4−x}Sn{sub 2+x} and LaMg{sub 3−x}Sn{sub 2} phases were determined. • The off-stoichiometry of LaMg{sub 3−x}Sn{sub 2} was discussed from geometrical point of view. • Structural relations between the known La–Mg–Sn phases were established. • The studied
High-pressure floating-zone growth of perovskite nickelate LaNiO 3 single crystals

DOE PAGES

Zhang, Junjie; Zheng, Hong; Ren, Yang; ...

2017-04-07

We report the first single crystal growth of the correlated metal LaNiO 3 using a high-pressure optical-image floating zone furnace. The crystals were studied using single crystal/powder X-ray diffraction, resistivity, specific heat, and magnetic susceptibility. The availability of bulk LaNiO 3 crystals will (i) promote deep understanding in this correlated material, including the mechanism of enhanced paramagnetic susceptibility, and (ii) provide rich opportunities as a substrate for thin film growth such as important ferroelectric and/or multiferroic materials. As a result, this study demonstrates the power of high pO 2 single crystal growth of nickelate perovskites and correlated electron oxides moremore » generally.« less
Superconducting pairing and the pseudogap in the nematic dynamical stripe phase of La2-xSrxCuO4

NASA Astrophysics Data System (ADS)

Sugai, S.; Takayanagi, Y.; Hayamizu, N.; Muroi, T.; Shiozaki, R.; Nohara, J.; Takenaka, K.; Okazaki, K.

2013-11-01

Fully absorption coefficient corrected Raman spectra were obtained in La2-xSrxCuO4. The B1g spectra have a Fleury-Loudon type two-magnon peak (resonant term) whose energy decreases from 3180 cm-1 (394 meV) to 440 cm-1 (55 meV) on increasing the carrier density from x = 0 to 0.25, while the B2g spectra have a 1000-3500 cm-1 (124-434 meV) hump (hill) whose lower-edge energy increases from x = 0 to 0.115 and then stays constant to x = 0.25. The B2g hump is assigned to the electronic scattering (non-resonant term) of the spectral function with magnetic self-energy. The completely different carrier density dependence arises from anisotropic magnetic excitations of spin-charge stripes. The B1g spectra were assigned to the sum of k ∥ and k⊥ stripe excitations and the B2g spectra to k⊥ stripe excitations according to the calculation by Seibold and Lorenzana (2006 Phys. Rev. B 73 144515). The k ∥ and k⊥ stripe excitations in fluctuating spin-charge stripes were separately detected for the first time. The appearance of only k⊥ stripe excitations in the electronic scattering arises from the charge hopping perpendicular to the stripe. This is the same direction as the Burgers vector of the edge dislocation in metal. The successive charge hopping in the Burgers vector direction across the charge stripes may cause Cooper pairs as predicted by Zaanen et al (2004 Ann. Phys. 310 181). Indeed, this is supported by the experimental fact that the superconducting coherent length coincides with the inter-charge stripe distance in the wide carrier density range. The one-directional charge hopping perpendicular to the stripe causes the flat Fermi surface and the pseudogap near (π,0) and (0,π), but the states around (π/2,π/2) cannot be produced. The low-energy Raman scattering disclosed that the electronic states at the Fermi arc around (π/2,π/2) are coupled to the A1g soft phonon of the tetragonal-orthorhombic phase transition. This suggests that the Fermi arc is
Perovskite LaBaCo2O5+δ (LBCO) single-crystal thin films for pressure sensing applications

NASA Astrophysics Data System (ADS)

Ma, Y. J.; Xiao, J. Y.; Zhang, Q. Y.; Ma, C. Y.; Jiang, X. N.; Wu, B. Y.; Zeng, X. Y.

2018-04-01

Perovskite LaBaCo2O5+δ (LBCO) single-crystal films were deposited on (001) MgO substrates by a magnetron sputtering method and processed into Pirani sensors for investigation of pressure measurements. In comparison to the poly-crystal film deposited under the same condition, the single-crystal LBCO films exhibited rather a large temperature coefficient of resistance and a high sensitivity in response to pressure. The LBCO sensors with dimensions of 30 to 200 μm, which are different from resistor-on-dielectric membrane or micro-beam structures, demonstrated to be capable of making response to the pressures ranging from 5 × 10-2 to 105 Pa with a real dynamic range of 3 to 2 × 103 Pa.
Single crystal growth, electronic structure and optical properties of Cs2HgBr4

NASA Astrophysics Data System (ADS)

Lavrentyev, A. A.; Gabrelian, B. V.; Vu, V. T.; Shkumat, P. N.; Parasyuk, O. V.; Fedorchuk, A. O.; Khyzhun, O. Y.

2015-10-01

We report on successful synthesis of high-quality single crystal of cesium mercury tetrabromide, Cs2HgBr4, by using the vertical Bridgman-Stockbarger method as well as on studies of its electronic structure. For the Cs2HgBr4 crystal, we have recorded X-ray photoelectron spectra for both pristine and Ar+ ion-bombarded surfaces. Our data indicate that the Cs2HgBr4 single crystal surface is rather sensitive with respect to Ar+ ion-bombardment. In particular, such a treatment of the Cs2HgBr4 single crystal surface alters its elemental stoichiometry. To explore peculiarities of the energy distribution of total and partial densities of states within the valence band and the conduction band of Cs2HgBr4, we have made band-structure calculations based on density functional theory (DFT) employing the augmented plane wave+local orbitals (APW+lo) method as incorporated in the WIEN2k package. The APW+lo calculations allow for concluding that the Br 4p states make the major contributions in the upper portion of the valence band, while its lower portion is dominated by contributors of the Hg 5d and Cs 5p states. Further, the main contributors to the bottom of the conduction band of Cs2HgBr4 are the unoccupied Br p and Hg s states. In addition, main optical characteristics of Cs2HgBr4 such as dispersion of the absorption coefficient, real and imaginary parts of dielectric function, electron energy-loss spectrum, refractive index, extinction coefficient and optical reflectivity have been explored from the first-principles band-structure calculations.
Crystal growth, structural, thermal and mechanical behavior of l-arginine 4-nitrophenolate 4-nitrophenol dihydrate (LAPP) single crystals.

PubMed

Mahadevan, M; Ramachandran, K; Anandan, P; Arivanandhan, M; Bhagavannarayana, G; Hayakawa, Y

2014-12-10

Single crystals of l-arginine 4-nitrophenolate 4-nitrophenol dihydrate (LAPP) have been grown successfully from the solution of l-arginine and 4-nitrophenol. Slow evaporation of solvent technique was adopted to grow the bulk single crystals. Single crystal X-ray diffraction analysis confirms the grown crystal has monoclinic crystal system with space group of P21. Powder X-ray diffraction analysis shows the good crystalline nature. The crystalline perfection of the grown single crystals was analyzed by HRXRD by employing a multicrystal X-ray diffractometer. The functional groups were identified from proton NMR spectroscopic analysis. Linear and nonlinear optical properties were determined by UV-Vis spectrophotometer and Kurtz powder technique respectively. It is found that the grown crystal has no absorption in the green wavelength region and the SHG efficiency was found to be 2.66 times that of the standard KDP. The Thermal stability of the crystal was found by obtaining TG/DTA curve. The mechanical behavior of the grown crystal has been studied by Vicker's microhardness method. Copyright © 2014 Elsevier B.V. All rights reserved.
Cooperative down-conversion of UV light in disordered scheelitelike Yb-doped NaGd(MoO4)2 and NaLa(MoO4)2 crystals

NASA Astrophysics Data System (ADS)

Subbotin, K. A.; Osipova, Yu. N.; Lis, D. A.; Smirnov, V. A.; Zharikov, E. V.; Shcherbakov, I. A.

2017-07-01

Concentration series of disordered scheelitelike Yb:NaGd(MoO4)2 and Yb:NaLa(MoO4)2 single crystals are grown by the Czochralski method. The actual concentrations of Yb3+ ions in the crystals are determined by optical-absorption spectroscopy. The luminescence of Yb3+ ions in these crystals in the region of 1 μm is studied under UV and IR excitation. In the case of UV excitation, this luminescence appears as a result of nonradiative excited state energy transfer from donor centers of unknown nature to ytterbium. The character of the concentration dependence of Yb3+ luminescence indicates that the energy transfer at high Yb concentrations occurs with active participation of a cooperative mechanism, according to which the excitation energy of one donor center is transferred simultaneously to two Yb3+ ions. In other words, the quantum yield of this transfer exceeds unity, which can be used to increase the efficiency of crystalline silicon (c-Si) solar cells.
Bulk crystal growth and their effective third order nonlinear optical properties of 2-(4-fluorobenzylidene) malononitrile (FBM) single crystal

NASA Astrophysics Data System (ADS)

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.
Magnetic and magnetostrictive behavior of Dy 3+ doped CoFe 2O 4 single crystals grown by flux method

NASA Astrophysics Data System (ADS)

Kambale, Rahul C.; Song, K. M.; Won, C. J.; Lee, K. D.; Hur, N.

2012-02-01

We studied the effect of Dy 3+ content on the magnetic properties of cobalt ferrite single crystal. The single crystals of CoFe 1.9Dy 0.1O 4 were grown by the flux method using Na 2B 4O 7.10 H 2O (Borax) as a solvent (flux). The black and shiny single crystals were obtained as a product. The X-ray diffraction analysis at room temperature confirmed the spinel cubic structure with lattice constant a=8.42 Å of the single crystals. The compositional analysis endorses the presence of constituents Co, Fe and Dy elements after sintering at 1300 °C within the final structure. The magnetic hysteresis measurements at various temperatures viz. 10 K, 100 K, 200 K and 300 K reveal the soft ferrimagnetic nature of the single crystal than that of for pure CoFe 2O 4. The observed saturation magnetization ( Ms) and coercivity ( Hc) are found to be lower than that of pure CoFe 2O 4 single crystal. The magnetostriction ( λ) measurement was carried out along the [001] direction. The magnetic measurements lead to conclude that the present single crystals can be used for magneto-optic recording media.
Ca3La2(BO3)4 crystal: a new candidate host material for the ytterbium ion

NASA Astrophysics Data System (ADS)

Wang, Yeqing; You, Zhenyu; Zhu, Zhaojie; Xu, Jinlong; Li, Jianfu; Wang, Yan; Wang, Hongyan; Tu, Chaoyang

2013-10-01

A disordered laser crystal Yb3+-doped Ca3La2(BO3)4 crystal was grown by the Czochralski technique. The characterized room temperature polarized spectra, re-absorption possibility and laser performance showed that this crystal should be a promising gain material, not only suitable for diode pumping, but also a good candidate for the generation of tunable and short pulse lasers. End pumped by a diode laser at 976 nm in plano-concave and plano-plano cavity, a 3.65 W output power with a slope efficiency of 65% was achieved by using a c-cut Yb3+:Ca3La2(BO3)4 crystal. The output laser wavelength shifted from 1042 to 1062 nm.
First-Principles Calculations of Lattice Dynamics in La_2CuO_4

NASA Astrophysics Data System (ADS)

Wang, C.-Z.; Yu, Rici; Krakauer, Henry

1998-03-01

To investigate wavevector-dependent lattice vibrational properties of the high-temperature cuprate superconductor La_2-xSr_xCuO_4, we have performed first principles calculations for tetragonal I4/mmm La_2CuO_4, using the linear response LAPW method(R. Yu and H. Krakauer, Phys. Rev. B 49), 4467 (1994). Phonon frequencies and polarization vectors are obtained throughout the Brillouin zone. Generally good agreement is obtained with experiment, but we underestimate the frequencies of the low lying modes, which involve either motions of the apical oxygen atoms parallel to the CuO2 planes or motions of the plane O atoms along the c-axis. The discrepancy may be due to anharmonic coupling of these modes(R. Cohen, W. Pickett, and H. Krakauer, Phys. Rev. Lett. 62), 831 (1989)^,(D. J. Singh, Solid State Commun. 98), 575 (1996). The X point tilt phonon mode is found to be the most unstable mode, consistent with previous frozen phonon calculations^3 and the observed phase transition to the orthorhombic structure at low temperature. The results will be discussed in comparison with previous calculations^3,4 and experiment.
Evidence for monoclinic distortion in the ground state phase of underdoped La 1.95Sr 0.05CuO 4: A single crystal neutron diffraction study

DOE PAGES

Singh, Anar; Schefer, Jurg; Sura, Ravi; ...

2016-03-24

The existing controversy about the symmetry of the crystal structure of the ground state of the critical doped La 1.95Sr 0.05CuO 4 has been resolved by analyzing the single crystal neutron diffraction data collected between 5 and 730 K. We observed small but significant intensities for "forbidden" reflections given by extinction rules of the orthorhombic Bmab space group at low temperatures. A careful investigation of neutron diffraction data reveals that the crystal structure of La 1.95Sr 0.05CuO 4 at 5 K is monoclinic with B2/m (2/m 1 1) space group. The monoclinic structure emerges from the orthorhombic structure in amore » continuous way; however, the structure is stable below similar to 120K which agrees with other observed phenomena. Lastly, our results on symmetry changes are crucial for the interpretation of physical properties also in other high temperature superconductors with similar structures.« less
Single Crystalline Co3O4 Nanocrystals Exposed with Different Crystal Planes for Li-O2 Batteries

PubMed Central

Su, Dawei; Dou, Shixue; Wang, Guoxiu

2014-01-01

Single crystalline Co3O4 nanocrystals exposed with different crystal planes were synthesised, including cubic Co3O4 nanocrystals enclosed by {100} crystal planes, pseudo octahedral Co3O4 enclosed by {100} and {110} crystal planes, Co3O4 nanosheets exposed by {110} crystal planes, hexagonal Co3O4 nanoplatelets exposed with {111} crystal planes, and Co3O4 nanolaminar exposed with {112} crystal planes. Well single crystalline features of these Co3O4 nanocrystals were confirmed by FESEM and HRTEM analyses. The electrochemical performance for Li-O2 batteries shows that Co3O4 nanocrystals can significantly reduce the discharge-charge over-potential via the effect on the oxygen evolution reaction (OER). From the comparison on their catalytic performances, we found that the essential factor to promote the oxygen evolution reactions is the surface crystal planes of Co3O4 nanocrystals, namely, crystal planes-dependent process. The correlation between different Co3O4 crystal planes and their effect on reducing charge-discharge over-potential was established: {100} < {110} < {112} < {111}. PMID:25169737
Single crystalline Co3O4 nanocrystals exposed with different crystal planes for Li-O2 batteries.

PubMed

Su, Dawei; Dou, Shixue; Wang, Guoxiu

2014-08-29

Single crystalline Co3O4 nanocrystals exposed with different crystal planes were synthesised, including cubic Co3O4 nanocrystals enclosed by {100} crystal planes, pseudo octahedral Co3O4 enclosed by {100} and {110} crystal planes, Co3O4 nanosheets exposed by {110} crystal planes, hexagonal Co3O4 nanoplatelets exposed with {111} crystal planes, and Co3O4 nanolaminar exposed with {112} crystal planes. Well single crystalline features of these Co3O4 nanocrystals were confirmed by FESEM and HRTEM analyses. The electrochemical performance for Li-O2 batteries shows that Co3O4 nanocrystals can significantly reduce the discharge-charge over-potential via the effect on the oxygen evolution reaction (OER). From the comparison on their catalytic performances, we found that the essential factor to promote the oxygen evolution reactions is the surface crystal planes of Co3O4 nanocrystals, namely, crystal planes-dependent process. The correlation between different Co3O4 crystal planes and their effect on reducing charge-discharge over-potential was established: {100} < {110} < {112} < {111}.
EPR spectra of Cu(2+) in KH(2)PO(4) single crystals.

PubMed

Biyik, Recep; Tapramaz, Recep

2008-01-01

Cu(2+) doped single crystals of KH(2)PO(4) were investigated using EPR technique at room temperature. The spectra of the complex contains large number of overlapping lines. Five sites are resolved and four of them are compatible with the tetragonal symmetry, and the fifth one belongs to an interstitial site. The results are discussed and compared with previous studies. Detailed investigation of the EPR spectra indicate that Cu(2+) substitute with K(+) ions. The principal values of the g and hyperfine tensors and the ground state wave function of Cu(2+) ions are obtained.
Positive magnetoresistance of single-crystal bilayer manganites (La{sub 1−z}Nd{sub z}){sub 1.4}Sr{sub 1.6}Mn{sub 2}O{sub 7} (z = 0, 0.1)

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

Shaykhutdinov, K. A.; Petrov, M. I.; Terent'ev, K. I.

2015-04-28

We investigate magnetoresistance, ρ{sub c}, of single-crystal bilayer lanthanum manganites (La{sub 1−z}Nd{sub z}){sub 1.4}Sr{sub 1.6}Mn{sub 2}O{sub 7} (z = 0 and 0.1) at a transport current flowing along the crystal c axis and in external magnetic fields applied parallel to the crystal c axis or ab plane. It is demonstrated that the La{sub 1.4}Sr{sub 1.6}Mn{sub 2}O{sub 7} manganite exhibits the positive magnetoresistance effect in the magnetic field applied in the ab sample plane at the temperatures T < 60 K, along with the negative magnetoresistance typical of all the substituted lanthanum manganites. In the (La{sub 0.9}Nd{sub 0.1}){sub 1.4}Sr{sub 1.6}Mn{sub 2}O{sub 7} sample, the positive magnetoresistancemore » effect is observed at temperatures of 60–80 K in an applied field parallel to the c axis. The mechanism of this effect is shown to be fundamentally different from the colossal magnetoresistance effect typical of lanthanum manganites. The positive magnetoresistance originates from spin-dependent tunneling of carriers between the manganese-oxygen bilayers and can be explained by features of the magnetic structure of the investigated compounds.« less
Synthesis, crystal structure and magnetic properties of superconducting single crystals of HgBa2CuO4+δ

NASA Astrophysics Data System (ADS)

Bertinotti, A.; Viallet, V.; Colson, D.; Marucco, J.-F.; Hammann, J.; Forget, A.; Le Bras, G.

1996-02-01

Single crystals of HgBa2CuO4+δ of submillimetric sizes were grown with the same one step, low pressure, gold amalgamation technique used to obtain single crystals of HgBa2Ca2Cu3O8+δ. Remarkable superconducting properties are displayed by the samples which are optimally doped as grown. The sharpness of the transition profiles of the magnetic susceptibility, its anisotropy dependence and the volume fraction exhibiting the Meissner effect exceed the values obtained with the best crystal samples of Hg-1223. X-rays show that no substitutional defects have been found in the mercury plane, in particular no mixed occupancy of copper at the mercury site. The interstitial oxygen content at (1/2, 1/2, 0) δ = 0.066+/-0.008 is about one third that observed in optimally doped Hg-1223, resulting in an identical doping level per CuO2 plane in both compounds.
Synthesis of Mesoporous Single Crystal Co(OH)2 Nanoplate and Its Topotactic Conversion to Dual-Pore Mesoporous Single Crystal Co3O4.

PubMed

Jia, Bao-Rui; Qin, Ming-Li; Li, Shu-Mei; Zhang, Zi-Li; Lu, Hui-Feng; Chen, Peng-Qi; Wu, Hao-Yang; Lu, Xin; Zhang, Lin; Qu, Xuan-Hui

2016-06-22

A new class of mesoporous single crystalline (MSC) material, Co(OH)2 nanoplates, is synthesized by a soft template method, and it is topotactically converted to dual-pore MSC Co3O4. Most mesoporous materials derived from the soft template method are reported to be amorphous or polycrystallined; however, in our synthesis, Co(OH)2 seeds grow to form single crystals, with amphiphilic block copolymer F127 colloids as the pore producer. The single-crystalline nature of material can be kept during the conversion from Co(OH)2 to Co3O4, and special dual-pore MSC Co3O4 nanoplates can be obtained. As the anode of lithium-ion batteries, such dual-pore MSC Co3O4 nanoplates possess exceedingly high capacity as well as long cyclic performance (730 mAh g(-1) at 1 A g(-1) after the 350th cycle). The superior performance is because of the unique hierarchical mesoporous structure, which could significantly improve Li(+) diffusion kinetics, and the exposed highly active (111) crystal planes are in favor of the conversion reaction in the charge/discharge cycles.
Synthesis, growth, structural, thermal and optical studies of pyrrolidinium-2-carboxylate-4-nitrophenol single crystals.

PubMed

Swarna Sowmya, N; Sampathkrishnan, S; Vidyalakshmi, Y; Sudhahar, S; Mohan Kumar, R

2015-06-15

Organic nonlinear optical material, pyrrolidinium-2-carboxylate-4-nitrophenol (PCN) was synthesized and single crystals were grown by slow evaporation solution growth method. Single crystal X-ray diffraction analysis confirmed the structure and lattice parameters of PCN crystals. Infrared, Raman and NMR spectral analyses were used to elucidate the functional groups present in the compound. The thermal behavior of synthesized compound was studied by thermogravimetric and differential scanning calorimetry (TG-DSC) analyses. The photoluminescence property was studied by exciting the crystal at 360 nm. The relative second harmonic generation (SHG) efficiency of grown crystal was estimated by using Nd:YAG laser with fundamental wavelength of 1,064 nm. Copyright © 2015 Elsevier B.V. All rights reserved.
Synthesis and NLO studies of novel (2E)-1-(2-bromo-4,5-dimethoxyphenyL)-3-(3-Bromo-4-Fluorophenyl)Prop-2-en-1-one single crystal

NASA Astrophysics Data System (ADS)

Shruthi, C.; Ravindrachary, V.; Prasad, D. Jagadeesh; Guruswamy, B.; Hegde, Shreedatta

2017-05-01

A novel organic nonlinear optical (NLO) material (2E)-1-(2-Bromo-4,5-Dimethoxyphenyl)-3-(3-Bromo-4-Fluorophenyl)Prop-2-en-1-one has been synthesized using Claisen-Schmidth condensation method. The chemical structure of the compound was confirmed by recording its FT-IR spectrum and the functional groups were identified. Single crystals were grown by slow evaporation method and the single crystal XRD study reveals that the compound crystallizes in the monoclinic crystal system with a space group -P 2yn. The observed cell parameters are a = 9.346(5) A°, b = 12.953(7) A°, c = 14.355(8) A°, α = 90°, β = 108.379°(9), γ = 90°. UV-Visible study shows that the compound is transparent in the entire visible region and the absorption takes place in the UV range. The Non linear optical efficiency of the crystal was estimated and it is found to be 0.5 times that of standard KDP crystal.

High-temperature cuprate superconductors studied by x-ray Compton scattering and positron annihilation spectroscopies

NASA Astrophysics Data System (ADS)

Barbiellini, Bernardo

2013-06-01

The bulk Fermi surface in an overdoped (x = 0.3) single crystal of La2-xSrxCuO4 has been observed by using x-ray Compton scattering. This momentum density technique also provides a powerful tool for directly seeing what the dopant Sr atoms are doing to the electronic structure of La2CuO4. Because of wave function effects, positron annihilation spectroscopy does not yield a strong signature of the Fermi surface in extended momentum space, but it can be used to explore the role of oxygen defects in the reservoir layers for promoting high temperature superconductivity.
Field emission investigations of single crystal LaB6 FEA fabricated by femtosecond laser direct writing

NASA Astrophysics Data System (ADS)

Liu, Hongliang; Zhang, Xin; Li, Yuancheng; Xiao, Yixin; Zhang, Wei; Zhang, Jiu-Xing

2018-04-01

The femtosecond laser direct writing method has been used to fabricate the single crystal lanthanum hexaboride (LaB6) field-emission tip arrays (FEAs). The morphologies, structure phase, and field emission of the single crystal LaB6 FEAs are systematically studied. The nanostructures on the surface of tips with the LaB6 phase were formed, resulting in favor of improving field emission, particularly for samples with the nanohill shaped bulges having the size of about 100 nm. The produced single crystal LaB6 FEAs have a uniform structure and a controllable curvature radius of about 0.5-3.0 μm. The FEAs with a curvature radius of about 0.5 μm as field emitters have the best field emission performance, which the field emission turns on and the threshold electric fields are as low as 2.2 and 3.8 V/μm with an emission current of 1.0 A/cm2 at 8.0 V/μm, and the emission current exhibits high stability. These indicate that the processed LaB6 FEAs have a good prospect applied in vacuum microelectronic devices and the simple femtosecond laser direct writing method could lead to an approach for the development of electron sources.
Electrical conduction mechanism in La3Ta0.5Ga5.3Al0.2O14 single crystals

PubMed Central

Yaokawa, Ritsuko; Aota, Katsumi; Uda, Satoshi

2013-01-01

The electrical conduction mechanism in La3Ta0.5Ga5.3Al0.2O14 (LTGA) single crystals was studied by nonstoichiometric defect formation during crystal growth. Since stoichiometric LTGA is not congruent, the single crystal grown from the stoichiometric melt was Ta-poor and Al-rich, where Al atoms were substituted not only in Ga sites but also in Ta sites. The population of the substitutional Al in Ta sites increased with increasing oxygen partial pressure during growth (growth-pO2) in the range from 0.01 to 1 atm. Below 600 °C, substitutional Al atoms in Ta sites were ionized to yield holes, and thus the electrical conductivity of the LTGA crystal depended on temperature and the growth-pO2. The dependence of the electrical conductivity on the growth-pO2 decreased as temperature increased. The temperature rise increases ionic conductivity, for which the dominant carriers are oxygen defects formed by the anion Frenkel reaction. PMID:24396153
Superconducting and charge density wave transition in single crystalline LaPt2Si2

NASA Astrophysics Data System (ADS)

Gupta, Ritu; Dhar, S. K.; Thamizhavel, A.; Rajeev, K. P.; Hossain, Z.

2017-06-01

We present results of our comprehensive studies on single crystalline LaPt2Si2. Pronounced anomaly in electrical resistivity and heat capacity confirms the bulk nature of superconductivity (SC) and charge density wave (CDW) transition in the single crystals. While the charge density wave transition temperature is lower, the superconducting transition temperature is higher in single crystal compared to the polycrystalline sample. This result confirms the competing nature of CDW and SC. Another important finding is the anomalous temperature dependence of upper critical field H C2(T). We also report the anisotropy in the transport and magnetic measurements of the single crystal.
A Family of A-Site Cation-Deficient Double-Perovskite-Related Iridates: Ln9Sr2Ir4O24 (Ln = La, Pr, Nd, Sm).

PubMed

Ferreira, Timothy; Smith, Mark D; Zur Loye, Hans-Conrad

2018-06-21

The compositions of the general formula Ln 11- x Sr x Ir 4 O 24 (Ln = La, Pr, Nd, Sm; 1.37 ≥ x ≥ 2) belonging to a family of A-site cation-deficient double-perovskite-related oxide iridates were grown as highly faceted single crystals from a molten strontium chloride flux. Their structures were determined by single-crystal X-ray diffraction. On the basis of the single-crystal results, additional compositions, Ln 9 Sr 2 Ir 4 O 24 (Ln = La, Pr, Nd, Sm), were prepared as polycrystalline powders via solid-state reactions and structurally characterized by Rietveld refinement. The compositions Ln 9 Sr 2 Ir 4 O 24 (Ln = La, Pr, Nd, Sm) contain Ir(V) and Ir(IV) in a 1:3 ratio with an average iridium oxidation state of 4.25. The single-crystal compositions La 9.15 Sr 1.85 Ir 4 O 24 and Pr 9.63 Sr 1.37 Ir 4 O 24 contain relatively less Ir(V), with the average iridium oxidation states being 4.21 and 4.09, respectively. The magnetic properties of Ln 9 Sr 2 Ir 4 O 24 (Ln = La, Pr, Nd, Sm) were measured, and complex magnetic behavior was observed in all cases at temperatures below 30 K.
Antiferromagnetic defect structure in LaNi O3 -δ single crystals

NASA Astrophysics Data System (ADS)

Wang, Bi-Xia; Rosenkranz, S.; Rui, X.; Zhang, Junjie; Ye, F.; Zheng, H.; Klie, R. F.; Mitchell, J. F.; Phelan, D.

2018-06-01

The origins of the metal-insulator and magnetic transitions exhibited by perovskite rare-earth nickelates, RNiO3 (where R is a rare-earth element), remain open issues, with charge disproportionation, magnetic interactions, and lattice response across multiple length scales being among the many possible origins. Recently, growth of single crystals of LaNiO3, which is the only member of these compounds that remains metallic in its ground state, has been reported, opening a new chapter in the investigation of the perovskite nickelates. Here, using a combination of magnetometry, heat capacity, and neutron scattering on as-grown and purposely reduced LaNi O3 -δ crystals, we show that both antiferromagnetic and ferromagnetic phases with a Néel temperature of ˜152 K and a Curie temperature of ˜225 K can be induced by reduction of the oxygen content. Transmission electron microscopy shows that these phases are characterized by ordered oxygen vacancy defect structures that exist as dilute secondary phases in as-grown crystals despite growth in partial oxygen pressures up to at least 130 bar. The demonstration of antiferromagnetism resulting from oxygen vacancy ordered structures implies that stoichiometry must be explicitly considered when interpreting the bulk properties of LaNi O3 -δ single crystals; accordingly, the implications of our results for putative oxygen-stoichiometric LaNiO3 are discussed.
Growth and characterization of pure and Ca2+ doped MnHg(SCN)4 single crystals

NASA Astrophysics Data System (ADS)

Latha, C.; Mahadevan, C. K.; Guo, Li; Liu, Jinghe

2018-05-01

Manganese-mercury thiocyanate, MnHg(SCN)4, crystal is considered to be an important organometallic nonlinear optical (NLO) material exhibiting higher thermal stability and second harmonic generation (SHG) efficiency. In order to understand the effect of Ca2+ as an impurity on the physicochemical properties, we have grown pure and Ca2+ doped (with a concentration of 1 mol%) MnHg(SCN)4 single crystals by the free evaporation of solvent method and characterized structurally, chemically, optically and electrically by adopting the available standard methods. Results obtained indicate that Ca2+ doping increases significantly the optical transmittance, SHG efficiency, and DC electrical conductivity and decreases the dielectric loss factor (improves the crystal quality), and AC electrical conductivity without distorting the crystal structure. Also, the low dielectric constant (εr) values observed for both the pure and doped crystals considered at near ambient temperatures indicate the possibility of using these crystals not only as potential NLO materials (useful in the photonics industry) but also as promising low εr value dielectric materials (useful in the microelectronics industry).
Magnetocrystalline two-fold symmetry in CaFe2O4 single crystal

NASA Astrophysics Data System (ADS)

Chhaganlal Gandhi, Ashish; Das, Rajasree; Chou, Fang-Cheng; Lin, Jauyn Grace

2017-05-01

Understanding of magnetocrystalline anisotropy in CaFe2O4 is a matter of importance for its future applications. A high quality single crystal CaFe2O4 sample is studied by using synchrotron x-ray diffraction, a magnetometer and the electron spin resonance (ESR) technique. A broad feature of the susceptibility curve around room temperature is observed, indicating the development of 1D spin interactions above the on-set of antiferromagnetic transition. The angular dependency of ESR reveals an in-plane two-fold symmetry, suggesting a strong correlation between the room temperature spin structure and magnetocrystalline anisotropy. This finding opens an opportunity for the device utilizing the anisotropy field of CaFe2O4.
Polarized electronic absorption spectra of Cr2SiO4 single crystals

NASA Astrophysics Data System (ADS)

Furche, A.; Langer, K.

Polarized electronic absorption spectra, E∥a(∥X), E∥b(∥Y) and E∥c(∥Z), in the energy range 3000-5000 cm-1 were obtained for the orthorhombic thenardite-type phase Cr2SiO4, unique in its Cr2+-allocation suggesting some metal-metal bonding in Cr2+Cr2+ pairs with Cr-Cr distance 2.75 Å along [001]. The spectra were scanned at 273 and 120 K on single crystal platelets ∥(100), containing optical Y and Z, and ∥(010), containing optical X and Z, with thicknesses 12.3 and 15.6 μm, respectively. Microscope-spectrometric techniques with a spatial resolution of 20 μm and 1 nm spectral resolution were used. The orientations were obtained by means of X-ray precession photographs. The xenomorphic, strongly pleochroic crystal fragments (X deeply greenish-blue, Y faint blue almost colourless, Z deeply purple almost opaque) were extracted from polycrystalline Cr2SiO4, synthesized at 35 kbar, above 1440 °C from high purity Cr2O3, Cr (10% excess) and SiO2 in chromium capsules. The Cr2SiO4-phase was identified by X-ray diffraction (XRD). Four strongly polarized bands, at about 13500 (I), 15700 (II), 18700 (III) and 19700 (IV) cm-1, in the absorption spectra of Cr2SiO4 single crystals show properties (temperature behaviour of linear and integral absorption coefficients, polarization behaviour, molar absorptivities) which are compatible with an assignment to localized spin-allowed transitions of Cr2+ in a distorted square planar coordination of point symmetry C2. The crystal field parameter of Cr2+ is estimated to be 10 Dq =10700 cm-1. A relatively intense, sharp band at 18400 cm-1 and three other minor features can, from their small half widths, be assigned to spin-forbidden dd-transitions of Cr2+. The intensity of such bands strongly decreases on decreasing temperature. The large half widths, near 5000 cm-1 of band III are indicative of some Cr-Cr interactions, i.e. δ-δ* transitions of Cr24+, whereas the latter alone would be in conflict with the strong
Synthesis, characterization and single crystal x-ray analysis of a complex of iron(II) bis(2,4-dimethylphenyl)dithiophosphate with 4-ethylpyridine

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

Kumar, Sandeep; Andotra, Savit; Kaur, Mandeep

2016-09-15

Complex of iron(II) bis(2,4-dimethylphenyl)dithiophosphate with 4-ethylpyridine [((2,4- (CH{sub 3}){sub 2}C{sub 6}H{sub 3}O)2PS2)2Fe(NC{sub 5}H{sub 4}(C{sub 2}H{sub 5})-4){sub 2}] is synthesized and characterized by elemental analysis, magnetic moment, IR spectroscopy and single crystal X-ray analysis. Complex crystallizes in the monoclinic sp. gr. P2{sub 1}/n, Z = 2. Crystal structure consists of mononuclear units with Fe(II) ion chelated by four S atoms of the two diphenyldithiophosphate ligands in bidentate manner. N atoms from two 4-ethylpyridine ligands are axially coordinated to the Fe(II) atom leading to an octahedral geometry.
Crystal growth and characterization of third order nonlinear optical piperazinium bis(4-hydroxybenzenesulphonate) (P4HBS) single crystal

NASA Astrophysics Data System (ADS)

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

2017-09-01

The organic single crystal of piperazinium bis(4-hydroxybenzenesulphonate) (P4HBS) was grown by slow evaporation solution technique (SEST) at room temperature. The lattice parameters of the grown crystal were confirmed by single crystal X-ray diffraction analysis. Functional groups of P4HBS crystal were confirmed by FTIR spectrum analysis. The optical quality of the grown crystal was identified by the UV-Vis NIR spectrum analysis. The grown crystal has good optical transmittance in the range of 410-1100 nm. In photoluminescence spectrum, sharp emission peaks are observed, which indicates the ultraviolet (UV) emission. The photoconductivity study reveals that the grown crystal has negative photoconductive nature. The thermal behaviour of the P4HBS crystal was investigated by thermogravimetric and differential thermal analysis (TG-DTA). The mechanical stability of grown crystal was analyzed and the indentation size effect (ISE) was explained by Hays-Kendall's (HK) approach and proportional specimen resistance model (PSRM). Chemical etching study was carried out and the etch pit density (EPD) was calculated. The dielectric constant (ε‧) and dielectric loss (tan δ) as a function of frequency were measured for the grown crystal. The solid state parameters such as valence electron, plasma energy, Penn gap and Fermi energy were evaluated theoretically for the P4HBS using the empirical relation. The estimated values are used to calculate the electronic polarizability. The third-order nonlinear optical properties such as nonlinear refractive index (n2), absorption co-efficient (β) and susceptibility (χ(3)) were studied by Z-scan technique at 632.8 nm using He-Ne laser.
The crystal structure of galgenbergite-(Ce), CaCe2(CO3)4•H2O

NASA Astrophysics Data System (ADS)

Walter, Franz; Bojar, Hans-Peter; Hollerer, Christine E.; Mereiter, Kurt

2013-04-01

Galgenbergite-(Ce) from the type locality, the railroad tunnel Galgenberg between Leoben and St. Michael, Styria, Austria, was investigated. There it occurs in small fissures of an albite-chlorite schist as very thin tabular crystals building rosette-shaped aggregates associated with siderite, ancylite-(Ce), pyrite and calcite. Electron microprobe analyses gave CaO 9.49, Ce2O3 28.95, La2O3 11.70, Nd2O3 11.86, Pr2O3 3.48, CO2 30.00, H2O 3.07, total 98.55 wt.%. CO2 and H2O calculated by stoichiometry. The empirical formula (based on Ca + REE ∑3.0) is C{{a}_{1.00 }}{{( {C{{e}_{1.04 }}L{{a}_{0.42 }}N{{d}_{0.42 }}P{{r}_{0.12 }}} )}_{2.00 }}{{( {C{{O}_3}} )}_4}\\cdot {{H}_2}O , and the simplified formula is CaC{{e}_2}{{( {C{{O}_3}} )}_4}\\cdot {{H}_2}O . According to X-ray single crystal diffraction galgenbergite-(Ce) is triclinic, space group Poverline{1},a=6.3916(5) , b = 6.4005(4), c = 12.3898(9) Å, α = 100.884(4), β = 96.525(4), γ = 100.492(4)°, V = 483.64(6) Å3, Z = 2. The eight strongest lines in the powder X-ray diffraction pattern are [ d calc in Å/( I)/ hkl]: 5.052/(100)/011; 3.011/(70)/0-22; 3.006/(66)/004; 5.899/(59)/-101; 3.900/(51)/1-12; 3.125/(46)/-201; 2.526/(42)/022; 4.694/(38)/-102. The infrared absorption spectrum reveals H2O (OH-stretching mode at 3,489 cm-1, HOH bending mode at 1,607 cm-1) and indicates the presence of distinctly non-equivalent CO3-groups by double and quadruple peaks of their ν1, ν2, ν3 and ν4 modes. The crystal structure of galgenbergite-(Ce) was refined with X-ray single crystal data to R1 = 0.019 for 2,448 unique reflections ( I > 2 σ( I)) and 193 parameters. The three cation sites of the structure Ca(1), Ce(2) and Ce(3) have a modest mixed site occupation by Ca and small amount of REE (Ce, La, Pr, Nd) and vice versa. The structure is based on double layers parallel to (001), which are composed of Ca(1)Ce(2)(CO3)2 single layers with an ordered chessboard like arrangement of Ca and Ce, and with a roof tile
Growth and characterization of single crystal rocksalt LaAs using LuAs barrier layers

NASA Astrophysics Data System (ADS)

Krivoy, E. M.; Rahimi, S.; Nair, H. P.; Salas, R.; Maddox, S. J.; Ironside, D. J.; Jiang, Y.; Dasika, V. D.; Ferrer, D. A.; Kelp, G.; Shvets, G.; Akinwande, D.; Bank, S. R.

2012-11-01

We demonstrate the growth of high-quality, single crystal, rocksalt LaAs on III-V substrates; employing thin well-behaved LuAs barriers layers at the III-V/LaAs interfaces to suppress nucleation of other LaAs phases, interfacial reactions between GaAs and LaAs, and polycrystalline LaAs growth. This method enables growth of single crystal epitaxial rocksalt LaAs with enhanced structural and electrical properties. Temperature-dependent resistivity and optical reflectivity measurements suggest that epitaxial LaAs is semimetallic, consistent with bandstructure calculations in literature. LaAs exhibits distinct electrical and optical properties, as compared with previously reported rare-earth arsenide materials, with a room-temperature resistivity of ˜459 μΩ-cm and an optical transmission window >50% between ˜3-5 μm.
Synthesis, crystal growth, structural, thermal, optical and mechanical properties of solution grown 4-methylpyridinium 4-hydroxybenzoate single crystal.

PubMed

Sudhahar, S; Krishna Kumar, M; Sornamurthy, B M; Mohan Kumar, R

2014-01-24

Organic nonlinear optical material, 4-methylpyridinium 4-hydroxybenzoate (4MPHB) was synthesized and single crystal was grown by slow evaporation solution growth method. Single crystal and powder X-ray diffraction analyses confirm the structure and crystalline perfection of 4MPHB crystal. Infrared, Raman and NMR spectroscopy techniques were used to elucidate the functional groups present in the compound. TG-DTA analysis was carried out in nitrogen atmosphere to study the decomposition stages, endothermic and exothermic reactions. UV-visible and Photoluminescence spectra were recorded for the grown crystal to estimate the transmittance and band gap energy respectively. Linear refractive index, birefringence, and SHG efficiency of the grown crystal were studied. Laser induced surface damage threshold and mechanical properties of grown crystal were studied to assess the suitability of the grown crystals for device applications. Copyright © 2013 Elsevier B.V. All rights reserved.
Single crystal X-ray diffraction study of the HgBa2CuO4+δ superconducting compound

NASA Astrophysics Data System (ADS)

Bordet, P.; Duc, F.; Lefloch, S.; Capponi, J. J.; Alexandre, E.; Rosa-Nunes, M.; Antipov, E. V.; Putilin, S.

1996-02-01

A high precision X-ray diffraction analysis up to sin θ/λ = 1.15 of a HgBa2CuO4+δ single crystal having a Tc of ~ 90 K is presented. The cell parameters are a = 3.8815(4), c = 9.485 (7) Å. The refinements indicate the existence of a split barium site due to the presence of excess oxygen in the mercury layer. The position of this excess oxygen might be slightly displaced from the (1/2 1/2 0) position. A 6% mercury deficiency is observed. Models, including mercury defects, substitution by copper cations, or carbonate groups, are compared. However, we obtain no definite evidence for either of the three models. A possible disorder of the Hg position, due to the formation of chemical bonds with neighbouring extra oxygen anions, could correlate to the refinements of mixed species at the Hg site. A low temperature single crystal x-ray diffraction study, and comparison of refinements for the same single crystal with different extra oxygen contents, are in progress to help clarify this problem.
EPR and optical investigation of Mn2+ doped L-histidine-4-nitrophenolate 4-nitrophenol single crystal

NASA Astrophysics Data System (ADS)

Prabakaran, R.; Subramanian, P.

2018-04-01

Single crystals of L-histidine-4-nitrophenolate 4-nitrophenol[LHFNP] complex doped with Mn2+ were grown by the slow evaporation method at room temperature. The EPR spectrum reveals the entry of one Mn2+ ion in the lattice. The angular variation plot was drawn between the angles and the magnetic field position. The spin Hamiltonian parameters were obtained by EPR-NMR program. The D and E values show the rhombic field around the ion and is an interstitial one. The g value obtained here suggests that the Mn2+ ion experiences a strong field and there is a transfer of electron from the metal ion to the ligand atom. The optical absorption study shows various bands and are assigned to the transition from the ground state 6A1g(S). The Racah and crystal field parameters have also been evaluated and fitted to the experimental values. The Racah parameter shows the covalent bonding between the metal ion to the ligand.
Growth of single crystalline delafossite LaCuO2 by the travelling-solvent floating zone method

NASA Astrophysics Data System (ADS)

Mohan, A.; Büchner, B.; Wurmehl, S.; Hess, C.

2014-09-01

Single crystals of LaCuO2 have been grown for the first time using the travelling-solvent floating zone method. The crystal was grown in an Ar-atmosphere by reduction of La2Cu2O5, which was used as the feed rod composition for the growth. The grown crystal has been characterized with regard to phase purity and single crystallinity using powder X-ray diffraction, energy dispersive X-ray analysis, Laue diffraction and scanning electron microscopy.
Evidence for monoclinic distortion in the ground state phase of underdoped La{sub 1.95}Sr{sub 0.05}CuO{sub 4}: A single crystal neutron diffraction study

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

Singh, Anar, E-mail: singhanar@gmail.com; Schefer, Jürg; Frontzek, Matthias

2016-03-28

The existing controversy about the symmetry of the crystal structure of the ground state of the critical doped La{sub 1.95}Sr{sub 0.05}CuO{sub 4} has been resolved by analyzing the single crystal neutron diffraction data collected between 5 and 730 K. We observed small but significant intensities for “forbidden” reflections given by extinction rules of the orthorhombic Bmab space group at low temperatures. A careful investigation of neutron diffraction data reveals that the crystal structure of La{sub 1.95}Sr{sub 0.05}CuO{sub 4} at 5 K is monoclinic with B2/m (2/m 1 1) space group. The monoclinic structure emerges from the orthorhombic structure in a continuous way;more » however, the structure is stable below ∼120 K which agrees with other observed phenomena. Our results on symmetry changes are crucial for the interpretation of physical properties also in other high temperature superconductors with similar structures.« less
Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba2RE2Si4O12F2 (RE = Er3+-Lu3+) and Ba2RE2Si4O13 (RE = La3+-Ho3+).

PubMed

Fulle, Kyle; Sanjeewa, Liurukara D; McMillen, Colin D; Kolis, Joseph W

2017-10-01

Structural variations across a series of barium rare earth (RE) tetrasilicates are studied. Two different formulas are observed, namely those of a new cyclo-silicate fluoride, BaRE 2 Si 4 O 12 F 2 (RE = Er 3+ -Lu 3+ ) and new compounds in the Ba 2 RE 2 Si 4 O 13 (RE = La 3+ -Ho 3+ ) family, covering the whole range of ionic radii for the rare earth ions. The Ba 2 RE 2 Si 4 O 13 series is further subdivided into two polymorphs, also showing a dependence on rare earth ionic radius (space group P{\\overline 1} for La 3+ -Nd 3+ , and space group C2/c for Sm 3+ -Ho 3+ ). Two of the structure types identified are based on dinuclear rare earth units that differ in their crystal chemistries, particularly with respect to the role of fluorine as a structural director. The broad study of rare earth ions provides greater insight into understanding structural variations within silicate frameworks and the nature of f-block incorporation in oxyanion frameworks. The single crystals are grown from high-temperature (ca 953 K) hydrothermal fluids, demonstrating the versatility of the technique to access new phases containing recalcitrant rare earth oxides, enabling the study of structural trends.
Temperature dependence of single-crystal elastic constants of flux-grown alpha-GaPO(4).

PubMed

Armand, P; Beaurain, M; Rufflé, B; Menaert, B; Papet, P

2009-06-01

The lattice parameter change with respect to temperature (T) has been measured using high-temperature powder X-ray diffraction techniques for high-temperature flux-grown GaPO(4) single crystals with the alpha-quartz structure. The lattice and the volume linear thermal expansion coefficients in the temperature range 303-1173 K were computed from the X-ray data. The percentage linear thermal expansions along the a and c axes at 1173 K are 1.5 and 0.51, respectively. The temperature dependence of the mass density rho of flux-grown GaPO(4) single crystals was evaluated using the volume thermal expansion coefficient alpha(V)(T) = 3.291 x 10(-5) - 2.786 x 10(-8) [T] + 4.598 x 10(-11)[T](2). Single-crystal high-resolution Brillouin spectroscopy measurements have been carried out at ambient pressure from 303 to 1123 K to determine the elastic constants C(IJ) of high-temperature flux-grown GaPO(4) material. The single-crystal elastic moduli were calculated using the sound velocities via the measured Brillouin frequency shifts Deltanu(B). These are, to our knowledge, the highest temperatures at which single-crystal elastic constants of alpha-GaPO(4) have been measured. Most of the room-temperature elastic constant values measured on flux-grown GaPO(4) material are higher than the ones found for hydrothermally grown GaPO(4) single crystals. The fourth-order temperature coefficients of both the Brillouin frequency shifts T(nuB)((n)) and the single-crystal elastic moduli T(C(IJ))((n)) were obtained. The first-order temperature coefficients of the C(IJ) are in excellent agreement with previous reports on low-temperature hydrothermally grown alpha-GaPO(4) single crystals, while small discrepancies in the higher-order temperature coefficients are observed. This is explained in terms of the OH content in the GaPO(4) network, which is an important parameter in the crystal thermal behavior.

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

NASA Astrophysics Data System (ADS)

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

PubMed

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.
Antiferromagnetic defect structure in LaNi O 3 – δ single crystals

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

Wang, Bi -Xia; Rosenkranz, Stephan; Rui, X.

Here, the origins of the metal-insulator and magnetic transitions exhibited by perovskite rare-earth nickelates, RNiO 3 (where R is a rare-earth element), remain open issues, with charge disproportionation, magnetic interactions, and lattice response across multiple length scales being among the many possible origins. Recently, growth of single crystals of LaNiO 3, which is the only member of these compounds that remains metallic in its ground state, has been reported, opening a new chapter in the investigation of the perovskite nickelates. Here, using a combination of magnetometry, heat capacity, and neutron scattering on as-grown and purposely reduced LaNiO 3–δ crystals, wemore » show that both antiferromagnetic and ferromagnetic phases with a Néel temperature of ~152 K and a Curie temperature of ~225 K can be induced by reduction of the oxygen content. Transmission electron microscopy shows that these phases are characterized by ordered oxygen vacancy defect structures that exist as dilute secondary phases in as-grown crystals despite growth in partial oxygen pressures up to at least 130 bar. The demonstration of antiferromagnetism resulting from oxygen vacancy ordered structures implies that stoichiometry must be explicitly considered when interpreting the bulk properties of LaNiO 3–δ single crystals; accordingly, the implications of our results for putative oxygen-stoichiometric LaNiO 3 are discussed.« less
Antiferromagnetic defect structure in LaNi O 3 – δ single crystals

DOE PAGES

Wang, Bi -Xia; Rosenkranz, Stephan; Rui, X.; ...

2018-06-12

Here, the origins of the metal-insulator and magnetic transitions exhibited by perovskite rare-earth nickelates, RNiO 3 (where R is a rare-earth element), remain open issues, with charge disproportionation, magnetic interactions, and lattice response across multiple length scales being among the many possible origins. Recently, growth of single crystals of LaNiO 3, which is the only member of these compounds that remains metallic in its ground state, has been reported, opening a new chapter in the investigation of the perovskite nickelates. Here, using a combination of magnetometry, heat capacity, and neutron scattering on as-grown and purposely reduced LaNiO 3–δ crystals, wemore » show that both antiferromagnetic and ferromagnetic phases with a Néel temperature of ~152 K and a Curie temperature of ~225 K can be induced by reduction of the oxygen content. Transmission electron microscopy shows that these phases are characterized by ordered oxygen vacancy defect structures that exist as dilute secondary phases in as-grown crystals despite growth in partial oxygen pressures up to at least 130 bar. The demonstration of antiferromagnetism resulting from oxygen vacancy ordered structures implies that stoichiometry must be explicitly considered when interpreting the bulk properties of LaNiO 3–δ single crystals; accordingly, the implications of our results for putative oxygen-stoichiometric LaNiO 3 are discussed.« less
La 139 NMR investigation of the charge and spin order in a La 1.885 Sr 0.115 CuO 4 single crystal

DOE PAGES

Arsenault, A.; Takahashi, S. K.; Imai, T.; ...

2018-02-14

139La NMR is suited for investigations into magnetic properties of La 2CuO 4 -based cuprates in the vicinity of their magnetic instabilities, owing to the modest hyperfine interactions between 139La nuclear spins and Cu electron spins. We report comprehensive 139La NMR measurements on a single-crystal sample of high-T c superconductor La 1.885 Sr 0.115 CuO 4 in a broad temperature range across the charge and spin order transitions (T charge ≃ 80 K, T neutron spin ≃ T c = 30 K). From the high-precision measurements of the linewidth for the nuclear spin I z = + 1 / 2 to -1/2 central transition, we show that paramagnetic line broadening sets in precisely at T charge due to enhanced spin correlations within the CuO 2 planes. Additional paramagnetic line broadening ensues below ~35 K, signaling that Cu spins in some segments of CuO 2 planes are on the verge of three-dimensional magnetic order. A static hyperfine magnetic field arising from ordered Cu moments along the ab plane, however, begins to develop only below Tmore » $$μSR\\atop{spin}$$ = 15 – 20 K, where earlier muon spin rotation measurements detected Larmor precession for a small volume fraction (~20 % ) of the sample. Based on the measurement of 139 La nuclear-spin-lattice relaxation rate 1/T 1, we also show that charge order triggers enhancement of low-frequency Cu spin fluctuations inhomogeneously; a growing fraction of 139 La sites is affected by enhanced low-frequency spin fluctuations toward the eventual magnetic order, whereas a diminishing fraction continues to exhibit a behavior analogous to the optimally superconducting phase even below T charge. In conclusion, these 139La NMR results corroborate our recent 63Cu NMR observation that a very broad, anomalous winglike signal gradually emerges below T charge, whereas the normally behaving, narrower main peak is gradually wiped out [T. Imai et al., Phys. Rev. B 96, 224508 (2017)]. Furthermore, we show that the enhancement of low-energy spin
La 139 NMR investigation of the charge and spin order in a La 1.885 Sr 0.115 CuO 4 single crystal

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

Arsenault, A.; Takahashi, S. K.; Imai, T.

139La NMR is suited for investigations into magnetic properties of La 2CuO 4 -based cuprates in the vicinity of their magnetic instabilities, owing to the modest hyperfine interactions between 139La nuclear spins and Cu electron spins. We report comprehensive 139La NMR measurements on a single-crystal sample of high-T c superconductor La 1.885 Sr 0.115 CuO 4 in a broad temperature range across the charge and spin order transitions (T charge ≃ 80 K, T neutron spin ≃ T c = 30 K). From the high-precision measurements of the linewidth for the nuclear spin I z = + 1 / 2 to -1/2 central transition, we show that paramagnetic line broadening sets in precisely at T charge due to enhanced spin correlations within the CuO 2 planes. Additional paramagnetic line broadening ensues below ~35 K, signaling that Cu spins in some segments of CuO 2 planes are on the verge of three-dimensional magnetic order. A static hyperfine magnetic field arising from ordered Cu moments along the ab plane, however, begins to develop only below Tmore » $$μSR\\atop{spin}$$ = 15 – 20 K, where earlier muon spin rotation measurements detected Larmor precession for a small volume fraction (~20 % ) of the sample. Based on the measurement of 139 La nuclear-spin-lattice relaxation rate 1/T 1, we also show that charge order triggers enhancement of low-frequency Cu spin fluctuations inhomogeneously; a growing fraction of 139 La sites is affected by enhanced low-frequency spin fluctuations toward the eventual magnetic order, whereas a diminishing fraction continues to exhibit a behavior analogous to the optimally superconducting phase even below T charge. In conclusion, these 139La NMR results corroborate our recent 63Cu NMR observation that a very broad, anomalous winglike signal gradually emerges below T charge, whereas the normally behaving, narrower main peak is gradually wiped out [T. Imai et al., Phys. Rev. B 96, 224508 (2017)]. Furthermore, we show that the enhancement of low-energy spin
Electrical conduction studies in ferric-doped KHSO 4 single crystals

NASA Astrophysics Data System (ADS)

Sharon, M.; Kalia, A. K.

1980-03-01

Direct-current conductivity of ferric-doped (138, 267, and 490 ppm) single crystals of KHSO 4 has been studied. The mechanism for the dc conduction process is discussed. It is observed that the ferric ion forms a (Fe 3+-two vacancies) complex and the enthaply for its formation is 0.09 ± 0.01 eV. It is proposed that each ferric ion removes two protons from each HSO 4 dimer. The conductivity plot shows the presence of intrinsic and extrinsic regions. It is proposed that in the intrinsic region the dimer of HSO -4 breaks reversibly to form a long-chain monomer-type structure. The conductivity in the KHSO 4 crystal is proposed to be controlled by the rotation of HSO -4 tetrahedra along the axis which contains no hydrogen atom. Isotherm calculation for the trivalent-doped system is applied to this crystal and the results are compared with Co 2+-doped KHSO 4 crystal. The distribution coefficient of ferric ion in the KHSO 4 single crystal is calculated to be 4.5 × 10 -1. Ferric ion causes tapering in the crystal growth habit of KHSO 4 and it is believed to be due to the presence of (Fe 3+-two vacancies) complex. The enthalpy values for the various other processes are as follows: enthalpy for the breakage of HSO -4 dimer ( Hi) = 1.28 ± 0.01 eV; enthalpy for the rotation of HSO -4 tetrahedron ( Hm) = 0.58 ± 0.01 eV.
Assessment of growth and spectral properties of Cr3+-doped La0.83Y0.29Sc2.88(BO3)4 crystal

NASA Astrophysics Data System (ADS)

Huang, Yisheng; Sun, Shijia; Lin, Zhoubin; Zhang, Lizhen; Wang, Guofu

2017-10-01

This paper reports the spectral characteristic of Cr3+-doped La0.83Y0.29 Sc2.88 (BO3)4 crystal. Cr3+-doped La0.83Y0.29Sc2.88 (BO3)4 crystal was grown from a flux of Li6B4O9 by the top seeded Solution growth method. Cr3+:La0.83Y0.29 Sc2.88 (BO3)4 crystal exhibits broad absorption and emission bands of Cr3+ ions. The absorption cross-section σa is 3.38 × 10-20 cm2 at 467 nm and 4.40 × 10-20 cm2 at 656 nm for E//c, respectively. The emission band with a peak at 906 nm has a full width at half maximum (FWHM) of 188 nm for E//c. The emission cross-section σe at 906 nm is 2.35 × 10-20 cm2 for E//c axis and 2.03 × 10-20 cm2 for E⊥c axis. The fluorescence lifetime of 4T2 → 4A2 transition is 37.7 μs. The investigated result indicates that it may be considered as a potential CW tunable laser crystal material.
Single crystals of the 96 K superconductor (Hg,Cu)Ba2CuO4+δ: Growth, structure and magnetism

NASA Astrophysics Data System (ADS)

Pelloquin, D.; Hardy, V.; Maignan, A.; Raveau, B.

1997-02-01

Single crystals of the 1201 (n = 1) (Hg,Cu)Ba2CuO4+δ mercury based cuprate have been grown by using a simple process without dry box. The as-synthesized crystals exhibit constant Tc(onset) of 96 K with sharp superconducting transitions. The electron microscopy coupled with EDX analyses evidence a ``1201''-type structure while a mercury deficiency is observed balanced by an excess of copper. The structural refinements based on single-crystal X-ray diffraction data confirm the electron deficiency on the Hg site (0,0,0) and show a splitting of the latter along the c axis correlated to the partial substitution of Cu for Hg. This structural study leads to the following formula Hg0.84Cu0.16Ba2CuO4.19. The magnetic study of a large crystal (1.1 × 0.38 × 0.065 mm3) shows that the (Hg,Cu)-1201 crystals exhibit an irreversibility line higher than that of the 1201 Hg0.8Bi0.2Ba2CuO4+δ crystal (Tc = 75 K). From the reversible magnetization, a λab(0) = 2470 Å value can be extrapolated. Using a 3D-2D decoupling formula, we obtain γ = 29 for the electronic anisotropy of this phase.
Melt growth of organic 4-(2-Phenylisopropyl) phenol single crystal and its structural, thermal, dielectric permittivity and optical properties

NASA Astrophysics Data System (ADS)

Sadhasivam, S.; Rajesh, N. P.

2017-12-01

A nonlinear optical (NLO) organic crystal 4-(2-Phenylisopropyl) phenol has been grown by a top seeded melt growth technique. The melt growth kinetics of solid-liquid (molten) interface and facets formation in melt growth were studied. The melt grown crystal has the (001), (00 1 bar),(110)(1 bar 1 bar 0) ,(1 bar 20),(1 2 bar 0),(2 bar 10) and(2 1 bar 0) different morphological face. The morphological characteristics of melt grown crystal helps to better infer the kinetic influence of melt and hone growth of organic material. The rhombohedral lattice cell parameters were measured by single crystal X-ray diffraction. 4-(2-Phenylisopropyl) phenol crystallizes in space group of R 3 bar . Thermal study shows that solid to liquid transition occurring at 350 K and decomposes at 597 K. The grown crystal was optically transparent in the wavelength range of 300-1100 nm. The low dielectric constant (9-11) was measured in the [001] of 4-(2-Phenylisopropyl) phenol crystal.
Crystal growth and scintillation properties of Pr-doped SrI2 single crystals

NASA Astrophysics Data System (ADS)

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.
Synthesis and Gas Sensing Properties of Single La-Doped SnO2 Nanobelts

PubMed Central

Wu, Yuemei; Zhang, Heng; Liu, Yingkai; Chen, Weiwu; Ma, Jiang; Li, Shuanghui; Qin, Zhaojun

2015-01-01

Single crystal SnO2 nanobelts (SnO2 NBs) and La-SnO2 nanobelts (La-SnO2 NBs) were synthesized by thermal evaporation. Both a single SnO2 NB sensor and a single La-SnO2 NB sensor were developed and their sensing properties were investigated. It is found that the single La-SnO2 NB sensor had a high sensitivity of 8.76 to ethanediol at a concentration of 100 ppm at 230 °C, which is the highest sensitivity of a single SnO2 NB to ethanediol among three kinds of volatile organic (VOC) liquids studied, including ethanediol, ethanol, and acetone. The La-SnO2 NBs sensor also exhibits a high sensitivity, good selectivity and long-term stability with prompt response time to ethanediol. The mechanism behind the enhanced sensing performance of La-doped SnO2 nanobelts is discussed. PMID:26087374
In-plane and cross-plane thermal conductivity in La2-xSrxCuO4

NASA Astrophysics Data System (ADS)

Kumari, Anita; Gupta, Anushri; Verma, Sanjeev K.; Indu, B. D.

2018-05-01

The problem of heat transport anisotropy in layered cuprate high temperature superconductors (HTS) has been investigated in terms of a-, b-, c- axis thermal conductivity. Various inadequacies involved due to dispersion and violation of Matthessien's rule in the Callaway's model have been removed with the help of life time approach of quantum many body theory of scattering mechanisms. Based on this approach the thermal conductivity of La1.98Sr0.02CuO4 and La1.96Sr0.04CuO4 samples has been numerically estimated and the observed results are found in good agreement with experimental observations.
Bridgman Growth of Large SrI2:Eu2+ Single Crystals: A High-performance Scintillator for Radiation Detection Applications

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

Boatner, Lynn A; Ramey, Joanne Oxendine; Kolopus, James A

2013-01-01

Single-crystal strontium iodide (SrI2) doped with relatively high levels (e.g., 3 - 6 %) of Eu2+ exhibits characteristics that make this material superior, in a number of respects, to other scintillators that are currently used for radiation detection. Specifically, SrI2:Eu2+ has a light yield that is significantly higher than LaBr3:Ce3+ -a currently employed commercial high-performance scintillator. Additionally, SrI2:Eu2+ is characterized by an energy resolution as high as 2.6% at the 137Cs gamma-ray energy of 662 keV, and there is no radioactive component in SrI2:Eu2+ - unlike LaBr3:Ce3+ that contains 138La. The Ce3+-doped LaBr3 decay time is, however, faster (30 nsec)more » than the 1.2 sec decay time of SrI2:Eu2+. Due to the relatively low melting point of strontium iodide (~515 oC), crystal growth can be carried out in quartz crucibles by the vertical Bridgman technique. Materials-processing and crystal-growth techniques that are specific to the Bridgman growth of europium-doped strontium iodide scintillators are described here. These techniques include the use of a porous quartz frit to physically filter the molten salt from a quartz antechamber into the Bridgman growth crucible and the use of a bent or bulb grain selector design to suppress multiple grain growth. Single crystals of SrI2:Eu2+ scintillators with good optical quality and scintillation characteristics have been grown in sizes up to 5.0 cm in diameter by applying these techniques. Other aspects of the SrI2:Eu2+ crystal-growth methods and of the still unresolved crystal-growth issues are described here.« less
Electrical, Thermal, and Magnetic Properties of Single Crystal CaMn2O4 Marokite

NASA Astrophysics Data System (ADS)

White, B. D.; Neumeier, J. J.; Souza, J. A.; Chiorescu, C.; Cohn, J. L.

2008-03-01

CaMn2O4 was first described [1] in 1963 as a natural mineral called Marokite. Since its discovery, it has been studied as a minor structural impurity phase in CMR- related CaMnO3 and for its structural similarities to high-pressure phases of spinel-oxide compounds. However, little attention has previously been paid to physical properties beyond its temperature-dependent magnetization. We will present a detailed physical properties study of CaMn2O4 single crystals grown by the optical floating zone method. [2] These measurements, several of which display anisotropy as a result of an orthorhombic crystal structure, include electrical transport, thermal transport, thermal expansion, heat capacity, and magnetization. [1] C. Gaudefroy, G. Jouravsky, F. Permingeat, Bull. Soc. Franc. Min'er. Crist. 86 (1963) 359. [2] B. D. White, C. A. M. dos Santos, J. A. Souza, K. J. McClellan, J. J. Neumeier submitted to J. Cryst. Growth.
Magnetic anisotropy and spin-flop transition of NiWO4 single crystals

NASA Astrophysics Data System (ADS)

Liu, C. B.; He, Z. Z.; Liu, Y. J.; Chen, R.; Shi, M. M.; Zhu, H. P.; Dong, C.; Wang, J. F.

2017-12-01

NiWO4 exhibits a spin chain structure built by magnetic Ni2+ ions, which may be considered as a one dimensional S = 1 system. In this work, large-sized single crystals of NiWO4 were successfully synthesized by a flux method and the crystal quality was confirmed by X-ray diffraction. Magnetic properties of obtained single crystals were studied by means of magnetic susceptibility and high field magnetization along crystallographic axes. The results demonstrate that NiWO4 is highly magnetic anisotropic and possesses a three-dimensional long range ordering below 60 K, where a spin flop transition can be observed at 17.5 T in applied magnetic fields along the magnetic easy axis (c-axis).
EPR Studies of orthorhombic Jahn-Teller effect in single crystal of ferroelectric Cu(II):Cd2(NH4)2 (SO4)3

NASA Astrophysics Data System (ADS)

Benson, Yerima; de, Dilip

In this paper we report the first EPR observation and theoretical explanation of orthorhombic Jahn-Teller effect in Cu(II) doped single crystal of ferroelectric cadmium ammonium sulphate: Cu(II):Cd2(NH4)2 (SO4)3 . The isotropic EPR spectra of the 2D ion (in regular octahedral symmetry) at higher temperature becomes anisotropic at low temperature with clear manifestation of orthorhombic g and hyperfine tensors at 15 K. The static Jahn-Teller(JT) effect can only be explained theoretically by assuming the three JT potential wells energetically inequivalent, unlike the potential wells in most of the Cu(II) doped crystalline materials where JT effect manifests. The measured splitting of the JT potential wells in this ferroelectric crystal fall in the sub millimeter wave region pointing to possible application of the material.
Spectroscopic characterisation of Er-doped LuVO4 single crystals

NASA Astrophysics Data System (ADS)

Lisiecki, R.; Dominiak-Dzik, G.; Solarz, P.; Strzęp, A.; Ryba-Romanowski, W.; Łukasiewicz, T.

2010-12-01

The LuVO4:Er single crystals were grown by the Czochralski technique. The crystal-field split energy levels of Er3+ ion were derived experimentally employing absorption and emission spectra measured at T=10 K. The Judd-Ofelt phenomenological method was used to estimate intensity parameters, radiative lifetimes and branching ratios of luminescence. The excited state dynamics of the LuVO4:Er systems was investigated and experimental lifetimes of emitting levels were measured. The emission cross section of the 4I13/2→4I15/2 transition in the infrared was calculated by the Füchtbauer-Ladenburg method. The gain cross section, estimated for several inverse-population parameters, allowed us to evaluate a potential laser activity of the LuVO4:Er system at 1.6 μm. Also, the potential range of the optical pumping was assessed based on absorption spectra achieved at the room temperature. The optical losses related to the green up-converted emission, encountered under the 978 nm excitation between 300 and 670 K were indicated and discussed. Spectroscopic peculiarities of the Er3+-doped LuVO4 crystal were discussed in relation to optical properties of the YVO4:Er and GdVO4:Er crystals. Taking into account the high quantum efficiency of the 4I13/2 level, and satisfactory absorption and emission features, the LuVO4:Er crystal can be considered as a promising active material for laser operation near 1.6 μm.
Photomagnetic switching of heterometallic complexes [M(dmf)4(H2O)3(mu-CN)Fe(CN)5].H2O (M=Nd, La, Gd, Y) analyzed by single-crystal X-ray diffraction and ab initio theory.

PubMed

Svendsen, Helle; Overgaard, Jacob; Chevallier, Marie A; Collet, Eric; Chen, Yu-Sheng; Jensen, Frank; Iversen, Bo B

2010-06-25

Single-crystal X-ray diffraction measurements have been carried out on [Nd(dmf)(4)(H(2)O)(3)(mu-CN)Fe(CN)(5)].H(2)O (1; dmf=dimethylformamide), [Nd(dmf)(4)(H(2)O)(3)(mu-CN)Co(CN)(5)].H(2)O (2), [La(dmf)(4)(H(2)O)(3)(mu-CN)Fe(CN)(5)].H(2)O (3), [Gd(dmf)(4)(H(2)O)(3)(mu-CN)Fe(CN)(5)].H(2)O (4), and [Y(dmf)(4)(H(2)O)(3)(mu-CN)Fe(CN)(5)].H(2)O (5), at 15(2) K with and without UV illumination of the crystals. Significant changes in unit-cell parameters were observed for all the iron-containing complexes, whereas 2 showed no response to UV illumination. Photoexcited crystal structures have been determined for 1, 3, and 4 based on refinements of two-conformer models, and excited-state occupancies of 78.6(1), 84(6), and 86.6(7)% were reached, respectively. Significant bond-length changes were observed for the Fe-ligand bonds (up to 0.19 A), the cyano bonds (up to 0.09 A), and the lanthanide-ligand bonds (up to 0.10 A). Ab initio theoretical calculations were carried out for the experimental ground-state geometry of 1 to understand the electronic structure changes upon UV illumination. The calculations suggest that UV illumination gives a charge transfer from the cyano groups on the iron atom to the lanthanide ion moiety, {Nd(dmf)(4)(H(2)O)(3)}, with a distance of approximately 6 A from the iron atom. The charge transfer is accompanied by a reorganization of the spin state on the {Fe(CN)(6)} complex, and a change in geometry that produces a metastable charge-transfer state with an increased number of unpaired electrons, thus accounting for the observed photomagnetic effect.
Growth and characterization of organic material 4-dimethylaminobenzaldehyde single crystal.

PubMed

Jebin, R P; Suthan, T; Rajesh, N P; Vinitha, G; Madhusoodhanan, U

2015-01-25

The organic material 4-dimethylaminobenzaldehyde single crystals were grown by slow evaporation technique. The grown crystal was confirmed by the single crystal and powder X-ray diffraction analyses. The functional groups of the crystal have been identified from the Fourier Transform Infrared (FTIR) and FT-Raman studies. The optical property of the grown crystal was analyzed by UV-Vis-NIR and photoluminescence (PL) spectral measurements. The thermal behavior of the grown crystal was analyzed by thermogravimetric (TG) and differential thermal analyses (DTA). Dielectric measurements were carried out with different frequencies by using parallel plate capacitor method. The third order nonlinear optical properties of 4-dimethylaminobenzaldehyde was measured by the Z-scan technique using 532 nm diode pumped continuous wave (CW) Nd:YAG laser. Copyright © 2014 Elsevier B.V. All rights reserved.

Single crystal growth of spin-ladder compound La8Cu7O19 by the travelling-solvent floating zone method

NASA Astrophysics Data System (ADS)

Mohan, A.; Singh, S.; Partzsch, S.; Zwiebler, M.; Geck, J.; Wurmehl, S.; Büchner, B.; Hess, C.

2016-08-01

Large single crystals of La8Cu7O19 have been grown using the travelling-solvent floating zone method. A rather high oxygen pressure of 9 bar in the growth chamber and a slow growth speed of 0.5 mm/h were among the most important parameters in stabilizing the growth of this incongruently melting compound. Interestingly, a novel growth scenario has been witnessed. The crystal structure of the grown La8Cu7O19 crystal has been analyzed using single crystal diffractometry to extract important structural parameters of this compound. We find that La8Cu7O19 crystallizes in a monoclinic structure with space group C 2 / c and has the lattice parameters a ≈ 13.83 Å, b ≈ 3.75 Å, c ≈ 34.59 Å, and β ≈ 99.33 °, in good agreement with the data obtained on polycrystalline samples in the literature. The magnetization shows a highly anisotropic behavior, and an anomaly at T ≈103 K.
Synthesis, spectral characterization, and single crystal structure studies of (2-nitro-ethene-1,1-diyl)-bis-((4-isopropyl-benzyl)sulfane)

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

Sakthikumar, L., E-mail: lsakthisbk@gmail.com; Mahalakshmy, R.; Bhargavi, G.

2015-12-15

The title compound (2-nitro-ethene-1,1-diyl)-bis-(4-isopropylbenzyl)sulfane) (5), was synthesised using a two step process. The structure of the product (5) was established by UV, FT-IR, {sup 1}H NMR, {sup 13}C NMR, C,H,N analysis, LC-MS and single crystal X-ray diffraction analysis. The single crystal of the title compound (5) was crystallized in Monoclinic with the space group of P21/c. The crystal exhibit the following unit cell parameters a = 12.8165(18), b = 6.1878(6), c = 27.082(4) Å, β = 90.705(17)°, V = 2147.6(5) A{sup 3}, Z = 4, D{sub x} = 1.242 Mg/m{sup 3} and the molecular formula of C{sub 22}H{sub 27}N{sub 1}O{submore » 2}S{sub 2} was found. The final R value was 0.0776. The crystal structure is stabilized by an interesting intramolecular push and pull five membered electrocyclic interaction between the O1–N1–C2–C1–S1- and via the intermolecular H-bonding interaction between C2–H2···O2.« less
Synthesis and crystal structures of new oxyapatites BiCa{sub 4-x}La{sub x}(VO{sub 4}){sub 3-x}(GeO{sub 4}){sub x}O, x=1-3

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

Zhuravlev, V.D., E-mail: zhvd@ihim.uran.ru; Tyutyunnik, A.P.; Zubkov, V.G.

2012-10-15

New germanate-vanadates with the general formula BiCa{sub 4-x}La{sub x}(VO{sub 4}){sub 3-x}(GeO{sub 4}){sub x}O, x=1-3, have been synthesized by the nitrate-citrate method and characterized. Structural refinement based on X-ray powder diffraction data showed that these compounds are isostructural with BiCa{sub 4}(VO{sub 4}){sub 3}O (space group P6{sub 3}/m (N 176), Z=2, a=9.8327-9.8755(3), and c=7.1203-7.2133(2) ). They may be viewed as continuous series of solid solutions where Ca{sup 2+} and V{sup 5+} cations in the crystal lattice of vanadate BiCa{sub 4}(VO{sub 4}){sub 3}O are replaced by La{sup 3+} and Ge{sup 4+} cations. In the process of substitution, the La{sup 3+} cations occupy mainlymore » the 4f lattice sites of the germanate-vanadate oxyapatites, but the filling of the 4f and 6h lattice sites in the germanate BiCaLa{sub 3}(GeO{sub 4}){sub 3} is equivalent. IR and Raman spectra were studied. The Raman spectra clearly show a two-mode behavior: the lines of GeO{sub 4} and VO{sub 4} are separated from each other, and the (V/Ge)O{sub 4} tetrahedra exhibit a quasi-independent behavior. - Graphical abstract: Schematic drawing of the BiCa{sub 3}La(VO{sub 4}){sub 2}(GeO{sub 4})O structure in projection on the ac plane. Green-V and Ge, red-Ca(1) and La(1), yellow-Ca(2), La(2) and Bi, dark-blue-O(1)-O(4), blue-O(5). Highlights: Black-Right-Pointing-Pointer The citrate synthesis of germanate-vanadate oxyapatites. Black-Right-Pointing-Pointer The synthesized compounds crystallize in the hexagonal symmetry. Black-Right-Pointing-Pointer A single series of solid solutions BiCa{sub 4-x}La{sub x}(VO{sub 4}){sub 3-x}(GeO{sub 4}){sub x}O, (x=0-3). Black-Right-Pointing-Pointer IR an Raman spectra of mixed crystals.« less
Phase transformations, anisotropic pyroelectric energy harvesting and electrocaloric properties of (Pb,La)(Zr,Sn,Ti)O3 single crystals.

PubMed

Zhuo, Fangping; Li, Qiang; Gao, Jinghan; Yan, Qingfeng; Zhang, Yiling; Xi, Xiaoqing; Chu, Xiangcheng

2017-05-31

(Pb,La)(Zr,Sn,Ti)O 3 (PLZST) single crystals with their chemical composition located at the tetragonal antiferroelectric region are grown via the flux method in a PbO-PbF 2 -B 2 O 3 mixture. Segregation of the Ti 4+ component in the as-grown crystals is observed due to the strong affinity between the oxygen anion and Ti 4+ ions. The critical electric field of the antiferroelectric to ferroelectric phase transition is determined to be about 0.5 kV mm -1 . The electric field induced ferroelectric phase transforms back into the antiferroelectric phase at a depolarization temperature of 125 °C. Anisotropy of the harvested energy density and electrocaloric behaviors are achieved for the [100], [110] and [111]-oriented PLZST crystals. Based on the thermodynamic theory approach, all the abovementioned behaviors originate from the anisotropic total entropy change. Enhanced electrocaloric strength (0.3 K mm kV -1 ) and the harvested energy density of 0.62 J cm -3 are obtained in the [111]-oriented PLZST crystals. Our results demonstrate the competence of PLZST single crystals for cooling devices and pyroelectric energy harvesting and provide new opportunities to improve energy harvesting density and electrocaloric properties via the anisotropic structural layout, which make the PLZST crystals attractive for solid state cooling devices and energy conversion technologies.
Evaluation of single crystal LaB6 cathodes for use in a high frequency backward wave oscillator tube

NASA Technical Reports Server (NTRS)

Swanson, L. W.; Davis, P. R.; Schwind, G. A.

1984-01-01

The results of thermionic emission and evaporation studies of single crystal LaB6 cathodes are given. A comparison between the (100), (210) and (310) crystal planes shows the (310) and (210) planes to possess a work function approx 0.2 eV lower than (100). This translates into a significant increase in current density, J, at a specified temperature. Comparison with a state-of-the-art impregnated dispenser cathode shows that LaB6 (310) is a superior cathode in nearly all respects except operating temperature at j 10 A/sq cm. The 1600 K thermionic and room temperature retarding potential work functions for LaB6 (310) are 2.42 and 2.50 respectively.
Electronic structure studies of La2CuO4

NASA Astrophysics Data System (ADS)

Wachs, A. L.; Turchi, P. E. A.; Jean, Y. C.; Wetzler, K. H.; Howell, R. H.; Fluss, M. J.; Harshman, D. R.; Remeika, J. P.; Cooper, A. S.; Fleming, R. M.

1988-07-01

We report results of positron-electron momentum-distribution measurements of single-crystal La2CuO4 using two-dimensional angular correlation of positron-annihilation-radiation techniques. The data contain two components: a large (~85%), isotropic corelike electron contribution and a remaining, anisotropic valence-electron contribution modeled using a linear combination of atomic orbitals-molecular orbital method and a localized ion scheme, within the independent-particle model approximation. This work suggests a ligand-field Hamiltonian to be justified for describing the electronic properties of perovskite materials.
Growth of NH4Cl Single Crystal from Vapor Phase in Vertical Furnace

NASA Astrophysics Data System (ADS)

Nigara, Yutaka; Yoshizawa, Masahito; Fujimura, Tadao

1983-02-01

A pure and internally stress-free single crystal of NH4Cl was grown successfully from the vapor phase. The crystal measured 1.6 cmφ× 2 cm and had the disordered CsCl structure, which was stable below 184°C. The crystal was grown in an ampoule in a vertical furnace, in which the vapor was efficiently transported both by diffusion and convection. In line with the growth mechanism of a single crystal, the temperature fluctuation (°C/min) on the growth interface was kept smaller than the product of the temperature gradient (°C/cm) and the growth rate (cm/min). The specific heat of the crystal was measured around -31°C (242 K) during cooling and heating cycles by AC calorimetry. The thermal hysteresis (0.4 K) obtained here was smaller than that (0.89 K) of an NH4Cl crystal grown from its aqueous solution with urea added as a habit modifier.
Single crystal growth and characterization of Na{sub x}Ln{sub 1−x}MoO{sub 4}, Ln=La, Ce, Pr, Nd, Sm, and Eu (x=0.397–0.499)

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

Cortese, Anthony J.; Abeysinghe, Dileka; Smith, Mark D.

Single crystals of La{sub 0.516(3)}Na{sub 0.484(3)}MoO{sub 4}, Ce{sub 0.512(2)}Na{sub 0.488(2)}MoO{sub 4}, Pr{sub 0.502(2)}Na{sub 0.498(2)}MoO{sub 4,} Nd{sub 0.501(2)}Na{sub 0.499(2)}MoO{sub 4}, Sm{sub 0.509(2)}Na{sub 0.491(2)}MoO{sub 4}, and Eu{sub 0.603(2)}Na{sub 0.397(2)}MoO{sub 4} were grown for the first time out of an alkali metal halide eutectic flux. All compounds crystallize in the tetragonal space group I4{sub 1}/a. UV/Vis measurements show the presence of an absorption edge for all compounds except Eu{sub 0.603(2)}Na{sub 0.397(2)}MoO{sub 4}. The temperature dependence of the magnetic susceptibility was measured for all compounds and found to be paramagnetic across the entire 2–300 K temperature range measured. - Graphical abstract: Single crystals ofmore » La{sub 0.516(3)}Na{sub 0.484(3)}MoO{sub 4}, Ce{sub 0.512(2)}Na{sub 0.488(2)}MoO{sub 4}, Pr{sub 0.502(2)}Na{sub 0.498(2)}MoO{sub 4,} Nd{sub 0.501(2)}Na{sub 0.499(2)}MoO{sub 4}, Sm{sub 0.509(2)}Na{sub 0.491(2)}MoO{sub 4}, and Eu{sub 0.603(2)}Na{sub 0.397(2)}MoO{sub 4} were grown for the first time out of an alkali metal halide eutectic flux. All compounds crystallize in the tetragonal space group I4{sub 1}/a. Eu{sub 0.603(2)}Na{sub 0.397(2)}MoO{sub 4} was found to possess the highest Mo{sup 5+} content at 20.6%. UV/Vis, magnetic susceptibility, and a bond valence sum analysis were performed on all samples. Display Omitted - Highlights: • Six lanthanide sodium molybdates have been synthesized and characterized. • An in situ reduction was carried out using Mo as a metal reducing agent. • UV/Vis and magnetic susceptibility data were collected. • Eu{sub 0.603(2)}Na{sub 0.397(2)}MoO{sub 4} was found to possess the highest Mo{sup 5+} content at 20.6%.« less
Perrierite-(La), (La,Ce,Ca)4(Fe2+,Mn)(Ti,Fe3+,Al)4(Si2O7)2O8, a new mineral species from the Eifel volcanic district, Germany

NASA Astrophysics Data System (ADS)

Chukanov, N. V.; Blass, G.; Pekov, I. V.; Belakovskiy, D. I.; Van, K. V.; Rastsvetaeva, R. K.; Aksenov, S. M.

2012-12-01

Non-metamict perrierite-(La) discovered in the Dellen pumice quarry, near Mendig, in the Eifel volcanic district, Rheinland-Pfalz, Germany has been approved as a new mineral species (IMA no. 2010-089). The mineral was found in the late assemblage of sanidine, phlogopite, pyrophanite, zirconolite, members of the jacobsite-magnetite series, fluorcalciopyrochlore, and zircon. Perrierite-(La) occurs as isolated prismatic crystals up to 0.5 × 1 mm in size within cavities in sanidinite. The new mineral is black with brown streak; it is brittle, with the Mohs hardness of 6 and distinct cleavage parallel to (001). The calculated density is 4.791 g/cm3. The IR spectrum does not contain absorption bands that correspond to H2O and OH groups. Perrierite-(La) is biaxial (-), α = 1.94(1), β = 2.020(15), γ = 2.040(15), 2 V meas = 50(10)°, 2 V calc = 51°. The chemical composition (electron microprobe, average of seven point analyses, the Fe2+/Fe3+ ratio determined from the X-ray structural data, wt %) is as follows: 3.26 CaO, 22.92 La2O3, 19.64 Ce2O3, 0.83 Pr2O2, 2.09 Nd2O3, 0.25 MgO, 2.25 MnO, 3.16 FeO, 5.28 Fe2O3, 2.59 Al2O3, 16.13 TiO2, 0.75 Nb2O5, and 20.06 SiO2, total is 99.21. The empirical formula is (La1.70Ce1.45Nd0.15Pr0.06Ca0.70)Σ4.06(Fe{0.53/2+}Mn0.38Mg0.08)Σ0.99(Ti2.44Fe{0.80/3+}Al0.62Nb0.07)Σ3.93Si4.04O22. The simplified formula is (La,Ce,Ca)4(Fe2+,Mn)(Ti,Fe3+,Al)4(Si2O7)2O8. The crystal structure was determined by a single crystal. Perrierite-(La) is monoclinic, space group P21/ a, and the unit-cell dimensions are as follows: a =13.668(1), b = 5.6601(6), c = 11.743(1) Å, β = 113.64(1)°; V = 832.2(2) Å3, Z = 2. The strong reflections in the X-ray powder diffraction pattern are [ d, Å ( I, %) ( hkl)]: 5.19 (40) (110), 3.53 (40) (overline 3 11), 2.96 (100) (overline 3 13, 311), 2.80 (50) (020), 2.14 (50) (overline 4 22, overline 3 15, 313), 1.947 (50) (024, 223), 1.657 (40) (overline 4 07, overline 4 33, 331). The holotype specimen of perrierite-(La) is
Revisiting 63Cu NMR evidence for charge order in superconducting La1.885Sr0.115CuO4

NASA Astrophysics Data System (ADS)

Imai, T.; Takahashi, S. K.; Arsenault, A.; Acton, A. W.; Lee, D.; He, W.; Lee, Y. S.; Fujita, M.

2017-12-01

The presence of charge and spin stripe order in the La2CuO4 -based family of superconductors continues to lead to new insight on the unusual ground-state properties of high-Tc cuprates. Soon after the discovery of charge stripe order at Tcharge≃65 K in Nd3 + co-doped La1.48Nd0.4Sr0.12CuO4 (Tc≃6 K) [Tranquada et al., Nature (London) 375, 561 (1995), 10.1038/375561a0], Hunt et al. demonstrated that La1.48Nd0.4Sr0.12CuO4 and superconducting La2 -xSrxCuO4 with x ˜1 /8 (Tc≃30 K) share nearly identical NMR anomalies near Tcharge of the former [Phys. Rev. Lett. 82, 4300 (1999), 10.1103/PhysRevLett.82.4300]. Their inevitable conclusion that La1.885Sr0.115CuO4 also undergoes charge order at a comparable temperature became controversial, because diffraction measurements at the time were unable to detect Bragg peaks associated with charge order. Recent advances in x-ray diffraction techniques finally led to definitive confirmations of the charge order Bragg peaks in La1.885Sr0.115CuO4 with an onset at as high as Tcharge≃80 K. Meanwhile, improved instrumental technology has enabled routine NMR measurements that were not feasible two decades ago. Motivated by these new developments, we revisit the charge order transition of a La1.885Sr0.115CuO4 single crystal based on 63Cu NMR techniques. We demonstrate that 63Cu NMR properties of the nuclear spin Iz=-1/2 to +1/2 central transition below Tcharge exhibit unprecedentedly strong dependence on the measurement time scale set by the separation time τ between the 90∘ and 180∘ radio-frequency pulses; a new kind of anomalous, very broad winglike 63Cu NMR signals gradually emerge below Tcharge only for extremely short τ ≲4 μ s , while the spectral weight INormal of the normal NMR signals is progressively wiped out. The NMR linewidth and relaxation rates depend strongly on τ below Tcharge, and their enhancement in the charge ordered state indicates that charge order turns on strong but inhomogeneous growth of Cu spin
Growth and characterization of benzyl 4-hydroxybenzoate single crystal by vertical Bridgman technique for optical applications

NASA Astrophysics Data System (ADS)

Solanki, S. Siva Bala; Rajesh, N. P.; Suthan, T.

2018-07-01

The benzyl 4-hydroxybenzoate single crystal has been grown by vertical Bridgman technique. The grown crystal was confirmed by single crystal X-ray diffraction studies. The presence of functional groups in the crystal was confirmed by Fourier transform infrared (FTIR) spectral studies. The thermal behaviour of the grown crystal was analyzed by thermogravimetric analysis (TGA), differential thermal analysis (DTA) and differential scanning calorimetric (DSC) studies. Optical behaviour of the grown benzyl 4-hydroxybenzoate crystal was studied by UV-Vis-NIR spectral analysis. Fluorescence spectrum shows near violet light emission. The second harmonic generation behaviour of benzyl 4-hydroxybenzoate was analyzed. The laser damage threshold value of benzyl 4-hydroxybenzoate was measured as 2.16 GW/cm2. The dielectric measurements of benzyl 4-hydroxybenzoate crystal were carried out with different frequencies 1 kHz to 1 MHz versus different temperatures ranging from 313 to 353 K. Photoconductivity study shows that the grown benzyl 4-hydroxybenzoate crystal belongs to negative photoconductivity property. The mechanical strength of the crystal was calculated by Vickers microhardness study.
Synthesis, growth, structural, optical, luminescence, surface and HOMO LUMO analysis of 2-[2-(4-cholro-phenyl)-vinyl]-1-methylquinolinium naphthalene-2-sulfonate organic single crystals grown by a slow evaporation technique

NASA Astrophysics Data System (ADS)

Karthigha, S.; Kalainathan, S.; Maheswara Rao, Kunda Uma; Hamada, Fumio; Yamada, Manabu; Kondo, Yoshihiko

2016-02-01

Single crystals of 2-[2-(4-cholro-phenyl)-vinyl]-1-methylquinolinium naphthalene-2-sulfonate (4CLNS) were grown by a slow evaporation technique. The formation of molecule was confirmed from 1H NMR and FTIR analysis. The confirmation of crystal structure was done by single crystal XRD and atomic packing of grown crystal was identified. The grown single crystal crystallized in triclinic structure with centrosymmetric space group P-1. The crystalline nature of the synthesised material was recorded by powder XRD. The optical absorption properties of the grown crystals were analyzed by UV-vis spectral studies. The thermal behaviour of the title material has been studied by TG/DTA analysis which revealed the stability of the compound till its melting point 276.7 °C. The third order nonlinear optical property of 4CLNS was investigated in detail by Z scan technique and it confirms that the title crystal is suitable for photonic devices and NLO optical applications. Emissions at 519 nm in green region of the EM spectrum were found by photoluminescence studies. The charge transfer occurring within the molecule is explained by the calculated HOMO and LUMO energies.
Growth of CuSO4 · 5H2O single crystals and study of some of their properties

NASA Astrophysics Data System (ADS)

Manomenova, V. L.; Stepnova, M. N.; Grebenev, V. V.; Rudneva, E. B.; Voloshin, A. E.

2013-05-01

Large single crystals of copper sulfate pentahydrate CuSO4 · 5H2O of optical quality have been grown; they can be applied as broadband UV optical filters. Their transmission spectra are measured. The crystal thermal stability is investigated and the onset temperature of dehydration is determined to be 46°C.
Optimization of the crystal growth of the superconductor CaKFe 4 As 4 from solution in the FeAs - CaFe 2 As 2 - KFe 2 As 2 system

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

Meier, W. R.; Kong, T.; Bud'ko, S. L.

Measurements of the anisotropic properties of single crystals play a crucial role in probing the physics of new materials. Determining a growth protocol that yields suitable high-quality single crystals can be particularly challenging for multicomponent compounds. Here we present a case study of how we refined a procedure to grow single crystals of CaKFe 4As 4 from a high temperature, quaternary liquid solution rich in iron and arsenic (“FeAs self-flux”). Temperature dependent resistance and magnetization measurements are emphasized, in addition to the x-ray diffraction, to detect intergrown CaKFe 4As 4, CaFe 2As 2, and KFe 2As 2 within what appearmore » to be single crystals. Guided by the rules of phase equilibria and these data, we adjusted growth parameters to suppress formation of the impurity phases. The resulting optimized procedure yielded phase-pure single crystals of CaKFe 4As 4. In conclusion, this optimization process offers insight into the growth of quaternary compounds and a glimpse of the four-component phase diagram in the pseudoternary FeAs–CaFe 2As 2–KFe 2As 2 system.« less
Optimization of the crystal growth of the superconductor CaKFe4As4 from solution in the FeAs -CaFe2As2-KFe2As2 system

NASA Astrophysics Data System (ADS)

Meier, W. R.; Kong, T.; Bud'ko, S. L.; Canfield, P. C.

2017-06-01

Measurements of the anisotropic properties of single crystals play a crucial role in probing the physics of new materials. Determining a growth protocol that yields suitable high-quality single crystals can be particularly challenging for multicomponent compounds. Here we present a case study of how we refined a procedure to grow single crystals of CaKFe4As4 from a high temperature, quaternary liquid solution rich in iron and arsenic ("FeAs self-flux"). Temperature dependent resistance and magnetization measurements are emphasized, in addition to the x-ray diffraction, to detect intergrown CaKFe4As4 , CaFe2As2 , and KFe2As2 within what appear to be single crystals. Guided by the rules of phase equilibria and these data, we adjusted growth parameters to suppress formation of the impurity phases. The resulting optimized procedure yielded phase-pure single crystals of CaKFe4As4 . This optimization process offers insight into the growth of quaternary compounds and a glimpse of the four-component phase diagram in the pseudoternary FeAs -CaFe2As2-KFe2As2 system.
Optimization of the crystal growth of the superconductor CaKFe 4 As 4 from solution in the FeAs - CaFe 2 As 2 - KFe 2 As 2 system

DOE PAGES

Meier, W. R.; Kong, T.; Bud'ko, S. L.; ...

2017-06-19

Measurements of the anisotropic properties of single crystals play a crucial role in probing the physics of new materials. Determining a growth protocol that yields suitable high-quality single crystals can be particularly challenging for multicomponent compounds. Here we present a case study of how we refined a procedure to grow single crystals of CaKFe 4As 4 from a high temperature, quaternary liquid solution rich in iron and arsenic (“FeAs self-flux”). Temperature dependent resistance and magnetization measurements are emphasized, in addition to the x-ray diffraction, to detect intergrown CaKFe 4As 4, CaFe 2As 2, and KFe 2As 2 within what appearmore » to be single crystals. Guided by the rules of phase equilibria and these data, we adjusted growth parameters to suppress formation of the impurity phases. The resulting optimized procedure yielded phase-pure single crystals of CaKFe 4As 4. In conclusion, this optimization process offers insight into the growth of quaternary compounds and a glimpse of the four-component phase diagram in the pseudoternary FeAs–CaFe 2As 2–KFe 2As 2 system.« less
Growth, structure, Hirshfeld surface and spectroscopic properties of 2-amino-4-hydroxy-6-methylpyrimidinium-2,3-pyrazinedicorboxylate single crystal

NASA Astrophysics Data System (ADS)

Faizan, Mohd; Alam, Mohammad Jane; Afroz, Ziya; Rodrigues, Vítor Hugo Nunes; Ahmad, Shabbir

2018-03-01

The present work is focused on the crystal structure, vibrational spectroscopy and DFT calculations of hydrogen bonded 2,3-pyrazinedicorboxylic acid and 2-amino-4-hydroxy-6-methylpyrimidine (PDCA-.AHMP+) crystal. The crystal structure has been determined using single crystal X-ray diffraction analysis which shows that the crystal belongs to monoclinic space group P21/n. The PDCA-.AHMP+ crystal has been characterized by FTIR, FT-Raman and FT-NMR spectroscopic techniques. The FTIR and FT-Raman spectra of the complex have unique spectroscopic feature as compared with those of the starting material to confirm salt formation. The theoretical vibrational studies have been performed to understand the modes of the vibrations of asymmetric unit of the complex by DFT methods. Hirschfeld surface and 2D fingerprint plots analyses were carried out to investigate the intermolecular interactions and its contribution in the building of PDCA-.AHMP+ crystal. The experimental and simulated 13C and 1H NMR studies have assisted in structural analysis of PDCA-.AHMP+ crystal. The electronic spectroscopic properties of the complex were explored by the experimental as well as theoretical electronic spectra simulated using TD-DFT/IEF-PCM method at B3LYP/6-311++G (d,p) level of theory. In addition, frontier molecular orbitals, molecular electrostatic potential map (MEP) and nonlinear optical (NLO) properties using DFT method have been also presented.
Optical spectroscopy of disordered Ca3Ga2Ge4O14 crystal doped with manganese

NASA Astrophysics Data System (ADS)

Burkov, Vladimir; Alyabyeva, Liudmila; Mill, Boris; Kotov, Viacheslav

2018-05-01

Circular dichroism, absorption and luminescence spectra of single crystalline manganese doped calcium gallogermanate Ca3Ga2Ge4O14:Mn were investigated in 300-850 nm wavelength region in wide temperature range 8-300 K. Careful analysis of experimental results revealed presence of electron transitions typical for sixfold coordinated trivalent manganese ions with d4 electron configuration. Thus, manganese ions doping the crystal matrix of CCG incorporate into lattice in 1a octahedral site-positions substituting Ga3+ ions. The results obtained were compared with investigation of isostructural to CGG manganese doped langasite crystals, La3Ga5SiO14:Mn where dopant is in octahedral Mn4+ state.
Effects of neutron and electron irradiation on superconducting HgBa 2CuO 4+ δ single crystals

NASA Astrophysics Data System (ADS)

Zehetmayer, M.; Eisterer, M.; Kazakov, S. M.; Karpinski, J.; Wisniewski, A.; Puzniak, R.; Daignere, A.; Weber, H. W.

2004-08-01

We report on measurements of the magnetic moment in superconducting HgBa 2CuO 4+ δ single crystals by SQUID magnetometry. Neutron and electron irradiation are employed to modify the defect structure. Both types of radiation affect the irreversible properties, but characteristic qualitative differences occur, which will be discussed.
Growth and studies of cyclohexylammonium 4-methoxy benzoate single crystal for nonlinear optical applications

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

Sathya, P.; Gopalakrishnan, R., E-mail: krgkrishnan@annauniv.edu

2015-06-24

Cyclohexylammonium 4-Methoxy Benzoate (C4MB) was synthesised and the functional groups were confirmed by FTIR analysis. The purified C4MB (by repeated recrystallisation) was used for single crystal growth. Single crystal of cyclohexylammonium 4-methoxy benzoate was successfully grown by slow evaporation solution growth method at ambient temperature. Structural orientations were determined from single crystal X-ray diffractometer. Optical absorption and cut off wavelength were identified by UV-Visible spectroscopy. Thermal stability of the crystal was studied from thermogravimetric and differential thermal analyses curves. Mechanical stability of the grown crystal was analysed by Vicker’s microhardness tester. The Second Harmonic Generation (SHG) study revealed that themore » C4MB compound exhibits the SHG efficiency 3.3 times greater than KDP crystal.« less

Water-Stable In(III)-Based Metal-Organic Frameworks with Rod-Shaped Secondary Building Units: Single-Crystal to Single-Crystal Transformation and Selective Sorption of C2H2 over CO2 and CH4.

PubMed

Guo, Zhen-Ji; Yu, Jiamei; Zhang, Yong-Zheng; Zhang, Jian; Chen, Ya; Wu, Yufeng; Xie, Lin-Hua; Li, Jian-Rong

2017-02-20

Three new water-stable In(III)-based metal-organic frameworks, namely, [In 3 (TTTA) 2 (OH) 3 (H 2 O)]·(DMA) 3 (BUT-70, DMA = N,N-dimethylacetamide), [In 3 (TTTA) 2 (CH 3 O) 3 ] (BUT-70A), and [In 3 (TTTA) 2 (OH) 3 ] (BUT-70B), with rod-shaped secondary building units (SBUs) and an new acrylate-based ligand, (2E,2'E,2″E)-3,3',3″-(2,4,6-trimethylbenzene-1,3,5-triyl)-triacrylate (TTTA 3- ) were obtained and structurally characterized. BUT-70A and -70B were generated in a single-crystal to single-crystal transformation fashion from BUT-70 through guest exchange followed by their removal. The solvents used for guest exchange were methanol and dichloromethane, respectively. Single-crystal structure analyses show that the guest exchange and removal process is accompanied by the substitution of coordinated water molecules of In(III) centers with uncoordinated carboxylate O atoms of TTTA 3- ligands. Moreover, hydroxyl groups bridging two In(III) centers are also replaced by methoxyl groups in the transformation from BUT-70 to -70A. Overall, three metal-organic frameworks (MOFs) are constructed by infinite chains consisting of corner-sharing InO 4 (OR) 2 (R = H or Me) octahedral entities, which are interconnected by TTTA 3- ligands to form three-dimensional frameworks. Unlike most reported MOFs with infinite chains as SBUs, such as well-known MIL-53 and M-MOF-74, which have one-dimensional channels along the chain direction, the BUT-70 series contain two-dimensional intersecting channels. The Brunauer-Emmett-Teller surface area and pore volume of BUT-70A were estimated to be 460 m 2 g -1 and 0.18 cm 3 g -1 , respectively, which are obviously lower than those of BUT-70B (695 m 2 g -1 and 0.29 cm 3 g -1 ). Gas adsorption experiments demonstrated that BUT-70A and -70B are able to selectively adsorb C 2 H 2 over CO 2 and CH 4 . At 1 atm and 298 K, BUT-70A uptakes 3.1 mmol g -1 C 2 H 2 , which is 3.6 times that of the CO 2 uptake and 7.2 times that of the CH 4 uptake
Growth and characterization of CaCu3Ti4O12 single crystals

NASA Astrophysics Data System (ADS)

Kim, Hui Eun; Yang, Sang-don; Lee, Jung-Woo; Park, Hyun Min; Yoo, Sang-Im

2014-12-01

The CaCu3Ti4O12 (CCTO) single crystals could be grown from the melt with the nominal composition of Ca:Cu:Ti=1:59:20 in a platinum (Pt) crucible using a self-flux method. The flux-grown CCTO single crystals have well-developed {100} habit planes, and their compositions are close to the ratio of Ca:Cu:Ti=1:3:4. Interestingly, flux-grown CCTO single crystals exhibited two different back reflection Laue patterns; one exhibited only [100] cubic Laue patterns, and the other showed not only [100] cubic Laue patterns but also the satellite spots related to the twin boundary, implying that twin-free CCTO single crystals can be grown by the self-flux method. Both the dielectric constants and losses of twinned CCTO single crystal are significantly higher than those of untwined CCTO crystal at relatively low frequency regime (<10 kHz), suggesting that the dielectric property is sensitive to the twin boundary.
Synthesis, growth, structural, optical and thermal properties of an organic single crystal: 4-nitroaniline 4-aminobenzoic acid.

PubMed

Silambarasan, A; Rajesh, P; Ramasamy, P

2014-01-24

The organic single crystals of 4-nitroaniline 4-aminobenzoic acid (4NAABA) were grown from ethanol solvent. The lattice parameters of the grown crystal have been confirmed from single crystal XRD analysis. The powder XRD pattern shows the various planes of grown crystal. The FTIR and (1)H NMR spectral analysis confirm the presence of various functional groups and the placement of proton in 4NAABA compound respectively. The UV absorption was carried out which shows the cutoff wavelength around 459 nm. The optical band gap of the crystal has been evaluated from the transmission spectra and absorption coefficient by extrapolation technique. In addition, a fluorescence spectral analysis is carried out for 4NAABA crystals. The thermal properties of crystals were evaluated from thermogravimetrical analysis. It shows that the grown crystal is stable up to 160°C and the crystal has sharp melting point at 151°C. Copyright © 2013 Elsevier B.V. All rights reserved.
Crystal growth, structure analysis and characterisation of 2 - (1, 3 - dioxoisoindolin - 2 - yl) acetic acid single crystal

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

Sankari, R. Siva, E-mail: sivasankari.sh@act.edu.in; Perumal, Rajesh Narayana

2014-04-24

Single crystal of dielectric material 2 - (1, 3 - dioxoisoindolin - 2 - yl) acetic acid has been grown by slow evaporation solution growth method. The grown crystal was harvested in 25 days. The crystal structure was analyzed by Single crystal X - ray diffraction. UV-vis-NIR analysis was performed to examine the optical property of the grown crystal. The thermal property of the grown crystal was studied by thermogravimetric analysis (TGA) and differential thermal analysis (DTA). The dielectric measurements were carried out and the dielectric constant was calculated and plotted at all frequencies.
Spin dynamics, electronic, and thermal transport properties of two-dimensional CrPS4 single crystal

NASA Astrophysics Data System (ADS)

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

2016-01-01

2-Dimensional (2D) CrPS4 single crystals have been grown by the chemical vapor transport method. The crystallographic, magnetic, electronic, and thermal transport properties of the single crystals were investigated by the room-temperature X-ray diffraction, electrical resistivity ρ(T), specific heat CP(T), and the electronic spin response (ESR) measurements. CrPS4 crystals crystallize into a monoclinic structure. The electrical resistivity ρ(T) shows a semiconducting behavior with an energy gap Ea = 0.166 eV. The antiferromagnetic transition temperature is about TN = 36 K. The spin flipping induced by the applied magnetic field is observed along the c axis. The magnetic phase diagram of CrPS4 single crystal has been discussed. The extracted magnetic entropy at TN is about 10.8 J/mol K, which is consistent with the theoretical value R ln(2S + 1) for S = 3/2 of the Cr3+ ion. Based on the mean-field theory, the magnetic exchange constants J1 and Jc corresponding to the interactions of the intralayer and between layers are about 0.143 meV and -0.955 meV are obtained based on the fitting of the susceptibility above TN, which agree with the results obtained from the ESR measurements. With the help of the strain for tuning the magnetic properties, monolayer CrPS4 may be a promising candidate to explore 2D magnetic semiconductors.
Intrinsically modified thermoelectric performance of alkaline-earth isovalently substituted [Bi2AE2O4][CoO2]y single crystals

NASA Astrophysics Data System (ADS)

Sun, N.; Dong, S. T.; Zhang, B. B.; Chen, Y. B.; Zhou, J.; Zhang, S. T.; Gu, Z. B.; Yao, S. H.; Chen, Y. F.

2013-07-01

Alkaline-earth elements isovalently substituted into a [Bi2AE2O4][CoO2]y (AE2 = Ca2, Sr2, and CaSr) single crystal with a layered structure were grown by the optical floating zone method. Structural characterization by X-ray diffraction and electron microscopy showed that the layers were oriented perpendicular to the c-axis, as well as the growth of direction was parallel to the ab-plane. The thermoelectric properties, including the Seebeck effect, electrical conductivity and thermal conductivity were investigated. The results of the thermoelectric measurements showed that the full substitution of Ca for Sr in [Bi2Sr2-xCaxO4][CoO2]y has the best overall thermoelectric performance. Compared with the other two cases studied, the full Ca substituted crystal [Bi2Ca2O4][CoO2]y exhibits both reduced resistivity and thermal conductivity, but not a reduced Seebeck coefficient. The enhanced thermoelectric property in [Bi2Ca2O4][CoO2]y is mainly due to lower structural symmetry, which is confirmed by electron microscopy characterization. This work demonstrates that even isovalently substitution can play a crucial role in the thermoelectric effect of layered cobalt oxides.
R{sub 4}Ir{sub 13}Ge{sub 9} (R=La, Ce, Pr, Nd, Sm) and RIr{sub 3}Ge{sub 2} (R=La, Ce, Pr, Nd): Crystal structures with nets of Ir atoms

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

Yarema, Maksym; Swiss Federal Laboratories for Materials Science and Technology; Zaremba, Oksana

The crystal structures of the new ternary compounds Sm{sub 4}Ir{sub 13}Ge{sub 9} and LaIr{sub 3}Ge{sub 2} were determined and refined on the basis of single-crystal X-ray diffraction data. They belong to the Ho{sub 4}Ir{sub 13}Ge{sub 9} (oP52, Pmmn) and CeCo{sub 3}B{sub 2} (hP5, P6/mmm) structure types, respectively. The formation of isotypic compounds R{sub 4}Ir{sub 13}Ge{sub 9} with R=La, Ce, Pr, Nd, and RIr{sub 3}Ge{sub 2} with R=Ce, Pr, Nd, was established by powder X-ray diffraction. The RIr{sub 3}Ge{sub 2} (R=La, Ce, Pr, Nd) compounds exist only in as-cast samples and decompose during annealing at 800 Degree-Sign C with the formationmore » of R{sub 4}Ir{sub 13}Ge{sub 9}. The structure of Sm{sub 4}Ir{sub 13}Ge{sub 9} contains intersecting, slightly puckered nets of Ir atoms (4{sup 4})(4{sup 3}.6){sub 2}(4.6{sup 2}){sub 2} and (4{sup 4}){sub 2}(4{sup 3}.6){sub 4}(4.6{sup 2}){sub 2} that are perpendicular to [0 1 1] as well as to [0 -1 1] and [0 0 1]. The Ir atoms are surrounded by Ge atoms that form tetrahedra or square pyramids (where the layers intersect). The Sm and additional Ir atoms (in trigonal-planar coordination) are situated in channels along [1 0 0] (short translation vector). In the structure of LaIr{sub 3}Ge{sub 2} the Ir atoms form planar Kagome nets (3.6.3.6) perpendicular to [0 0 1]. These nets alternate along the short translation vector with layers of La and Ge atoms. - Graphical abstract: The crystal structures contain the nets of Ir atoms as main structural motif: R{sub 4}Ir{sub 13}Ge{sub 9} contains intersecting slightly puckered nets of Ir atoms, whereas in the structure of RIr{sub 3}Ge{sub 2} the Ir atoms form planar Kagome nets. Highlights: Black-Right-Pointing-Pointer The Ir-rich ternary germanides R{sub 4}Ir{sub 13}Ge{sub 9} (R=La, Ce, Pr, Nd, Sm) and RIr{sub 3}Ge{sub 2} (R=La, Ce, Pr, Nd) have been synthesized. Black-Right-Pointing-Pointer The RIr{sub 3}Ge{sub 2} compounds exist only in as-cast samples and decompose during annealing
Non-covalent interactions in 2-methylimidazolium copper(II) complex (MeImH)2[Cu(pfbz)4]: Synthesis, characterization, single crystal X-ray structure and packing analysis

NASA Astrophysics Data System (ADS)

Sharma, Raj Pal; Saini, Anju; Kumar, Santosh; Kumar, Jitendra; Sathishkumar, Ranganathan; Venugopalan, Paloth

2017-01-01

A new anionic copper(II) complex, (MeImH)2 [Cu(pfbz)4] (1) where, MeImH = 2-methylimidazolium and pfbz = pentafluorobenzoate has been isolated by reacting copper(II) sulfate pentahydrate, pentafluorobenzoic acid and 2-methylimidazole in ethanol: water mixture in 1:2:2 molar ratio. This complex 1 has been characterized by elemental analysis, thermogravimetric analysis, spectroscopic techniques (UV-Vis, FT-IR) and conductance measurements. The complex salt crystallizes in monoclinic crystal system with space group C2/c. Single crystal X-ray structure determination revealed the presence of discrete ions: [Cu(pfbz)4]2- anion and two 2-methylimidazolium cation (C4H7N2)+. The crystal lattice is stabilized by strong hydrogen bonding and F⋯F interactions between cationic-anionic and the anionic-anionic moieties respectively, besides π-π interactions.
Investigations on structural, optical, electrical, mechanical and third-order nonlinear behaviour of 3-aminopyridinium 2,4-dinitrophenolate single crystal

NASA Astrophysics Data System (ADS)

Mohanbabu, B.; Bharathikannan, R.; Siva, G.

2017-10-01

The single crystals of 3-aminopyridinium 2,4-dinitrophenolate (APDP) have been synthesized and grown by slow evaporation technique at room temperature. The crystal system was identified and lattice dimensions were measured from the single-crystal X-ray diffraction (SXRD) analysis. UV-visible absorption and transmittance spectra have been recorded in the region between 250 and 1100 nm. The different vibrational modes of the molecule were studied by Fourier transform infrared (FTIR) spectroscopic analysis. The decreasing tendency of dielectric constant with increasing frequency was analysed in dielectric study. The polarizability value calculated using Penn analysis well agrees with the value calculated using Clausius-Mossotti equation. The photoconductivity and photoluminescence behaviour were also studied on grown APDP crystal. The mechanical strength of the crystal has been studied using a Vickers' microhardness test. The stiffness constant and yield strength of the crystal were also calculated from the microhardness test. The third-order nonlinear optical parameters such as refractive index, absorption coefficient and third-order susceptibility were estimated by Z-scan studies.
A multistep single-crystal-to-single-crystal bromodiacetylene dimerization

NASA Astrophysics Data System (ADS)

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.
Growth and Properties of Oxygen and Ion Doped BISMUTH(2) STRONTIUM(2) Calcium COPPER(2) Oxygen (8+DELTA) Single Crystals

NASA Astrophysics Data System (ADS)

Mitzi, David Brian

1990-01-01

A directional solidification method for growing large single crystals in the Bi_2Sr _2CaCu_2O _{8+delta} system is reported. Ion substitutions, with replacement of La for Sr and Y for Ca, as well as oxygen doping in these crystals has been explored. Ion doping results in little change of the superconducting transition for substitution levels below 20-25% (as a result of simultaneous oxygen intercalation), while beyond this level, the Meissner signal broadens and the low temperature Meissner signal decreases. Microprobe analysis and x-ray diffraction performed on these more highly substituted single crystals, provides evidence for inhomogeneity and phase segregation into regions of distinct composition. Annealing unsubstituted crystals in increasing partial pressures of oxygen reversibly depresses the superconducting transition temperature from 90K (as made) to 77K (oxygen pressure annealed) while the Hall concentrations increase from n = 3.1(3) times 10 ^{21} cm^{ -3} (0.34 holes/Cu site) to 4.6(3) times 10^{21} cm^{-3} (0.50 holes/Cu site). Further suppression of T_{c} to 72K is possible by annealing in oxygen pressures up to 100atm. No degradation of the Meissner transition or other indications of inhomogeneity or phase segregation with doping are noted, suggesting that oxygen doped Bi_2Sr _2CaCu_2O _{8+delta} is a suitable system for pursuing doping studies. The decrease in T _{c} with concentration for 0.34 <=q n <=q 0.50 indicates that a high carrier concentration regime exists where T_{c} decreases with n and suggests that this decrease does not arise from material inhomogeneity or other materials problems. The physical properties of these Bi _2Sr_2CaCu _2O_{8+delta} crystals, in this high carrier concentration regime, will be discussed.
Unraveling Pr3+ 5d-4f emission in LiLa9(SiO4)6O2 crystals doped with Pr3+ ions

NASA Astrophysics Data System (ADS)

Ivanovskikh, Konstantin V.; Shi, Qiufeng; Bettinelli, Marco; Pustovarov, Vladimir A.

2018-05-01

LiLa9(SiO4)6O2 (LLSO) crystals doped with Pr3+ ions were grown using the slow cooling flux method. The crystals were characterized by means of luminescence and optical spectroscopy and luminescence decay measurements upon excitation in UV, VUV and X-ray range including using synchrotron radiation sources. The spectroscopic data revealed the presence Pr3+ 5d↔4f emission and excitation bands related to Pr3+ ions replacing La3+ in two nonequivalent positions, and features related Pr3+ 4f→4f emission. The photon cascade emission is not observed in LLSO:Pr3+, since Pr3+1S0 state is above the bottom of 4fn-15d mixed-states band. Apart from the emission features related to Pr3+, a defect-related emission was observed upon UV, VUV, and ionizing radiation excitation. Presence of the defects was shown with thermoluminescence measurements and suggested to be the main reason for suppression the 5d→4f emission. Peculiarities of host-to-impurity energy transfer are analyzed and discussed.
Fluorescence X-ray absorption spectroscopy using a Ge pixel array detector: application to high-temperature superconducting thin-film single crystals.

PubMed

Oyanagi, H; Tsukada, A; Naito, M; Saini, N L; Lampert, M O; Gutknecht, D; Dressler, P; Ogawa, S; Kasai, K; Mohamed, S; Fukano, A

2006-07-01

A Ge pixel array detector with 100 segments was applied to fluorescence X-ray absorption spectroscopy, probing the local structure of high-temperature superconducting thin-film single crystals (100 nm in thickness). Independent monitoring of pixel signals allows real-time inspection of artifacts owing to substrate diffractions. By optimizing the grazing-incidence angle theta and adjusting the azimuthal angle phi, smooth extended X-ray absorption fine structure (EXAFS) oscillations were obtained for strained (La,Sr)2CuO4 thin-film single crystals grown by molecular beam epitaxy. The results of EXAFS data analysis show that the local structure (CuO6 octahedron) in (La,Sr)2CuO4 thin films grown on LaSrAlO4 and SrTiO3 substrates is uniaxially distorted changing the tetragonality by approximately 5 x 10(-3) in accordance with the crystallographic lattice mismatch. It is demonstrated that the local structure of thin-film single crystals can be probed with high accuracy at low temperature without interference from substrates.
Growth and surface topography of WSe{sub 2} single crystal

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

Dixit, Vijay, E-mail: vijdix1@gmail.com; Vyas, Chirag; Pataniya, Pratik

2016-05-06

Tungsten Di-Selenide belongs to the family of TMDCs showing their potential applications in the fields of Optoelectronics and PEC solar cells. Here in the present investigation single crystals of WSe{sub 2} were grown by Direct Vapour Transport Technique in a dual zone furnace having temperature difference of 50 K between the two zones. These single crystals were characterized by EDAX which confirms the stiochiometry of the grown crystals. Surface topography of the crystal was studied by optical micrograph showing the left handed spirals on the surface of WSe{sub 2} crystals. Single crystalline nature of the crystals was confirmed by SAED.
Investigation of the magnetic properties in double perovskite R2CoMnO6 single crystals (R = rare earth: La to Lu).

PubMed

Kim, M K; Moon, J Y; Choi, H Y; Oh, S H; Lee, N; Choi, Y J

2015-10-28

We have successfully synthesized the series of the double-perovskite R2CoMnO6 (R = rare earth: La to Lu) single crystals and have investigated their magnetic properties. The ferromagnetic order of Co(2+)/Mn(4+) spins emerges mainly along the c axis. Upon decreasing the size of rare earth ion, the magnetic transition temperature decreases linearly from 204 K for La2CoMnO6 to 48 K for Lu2CoMnO6, along with the enhancement of monoclinic distortion. The temperature and magnetic-field dependences of magnetization reveal the various magnetic characteristics such as the metamagnetic transition in R = Eu, the isotropic nature of rare earth moment in R = Gd, and the reversal of magnetic anisotropy in R = Tb and Dy. Our results offer comprehensive information for understanding the roles of mixed-valent magnetic ions and rare earth magnetic moments on the magnetic properties.
Crystal growth and characterization of the CMR compound La 1.2(Sr,Ca) 1.8Mn 2O 7

NASA Astrophysics Data System (ADS)

Velázquez, M.; Haut, C.; Hennion, B.; Revcolevschi, A.

2000-12-01

High-quality centimeter-sized single crystals of La 1.2Sr 1.8- yCa yMn 2O 7 (0.0⩽ y⩽0.2) were successfully grown using a floating zone method associated with an image furnace. We present the growth conditions together with a characterization of the single crystals by means of optical and electron microscopy, EDX and ICP⧸AES analysis, DTA-TGA measurements and redox titration, X-ray powder diffraction, Laue X-ray back-reflection and neutron diffraction. We also stress the main aspects of the complex thermodynamical and kinetic behaviors of these compounds.
Probing vacancy-type free-volume defects in Li2B4O7 single crystal by positron annihilation lifetime spectroscopy

NASA Astrophysics Data System (ADS)

Shpotyuk, O.; Adamiv, V.; Teslyuk, I.; Ingram, A.; Demchenko, P.

2018-01-01

Vacancy-type free-volume defects in lithium tetraborate Li2B4O7 single crystal, grown by the Czochralski technique, are probed with positron annihilation spectroscopy in the lifetime measuring mode. The experimental positron lifetime spectrum is reconstructed within the three-component fitting, involving channels of positron and positronium Ps trapping, as well as within the two-component fitting with a positronium-compensating source input. Structural configurations of the most efficient positron traps are considered using the crystallographic specificity of lithium tetraborate with the main accent on cation-type vacancies. Possible channels of positron trapping are visualized using the electronic structure calculations with density functional theory at the basis of structural parameters proper to Li2B4O7. Spatially-extended positron-trapping complexes involving singly-ionized lithium vacancies, with character lifetime close to 0.32 ns, are responsible for positron trapping in the nominally undoped lithium tetraborate Li2B4O7 crystal.
Magnetic and crystal structures of the honeycomb lattice Na2IrO3 and single layer Sr2IrO4

NASA Astrophysics Data System (ADS)

Ye, Feng

2013-03-01

5 d based iridates have recently attracted great attention due to the large spin-orbit coupling (SOC). It is now recognized that the SOC that competes with other relevant energies, particularly the on-site Coulomb interaction U, and have driven novel electronic and magnetic phases. Combining single crystal neutron and x-ray diffractions, we have investigated the magnetic and crystal structures of the honeycomb lattice Na2IrO3. The system orders magnetically below 18.1 K with Ir4+ ions forming zigzag spin chains within the layered honeycomb network with ordered moment of 0.22 μB /Ir site. Such a configuration sharply contrasts the Neel or stripe states proposed in the Kitaev-Heisenberg model. The structure refinement reveals that the Ir atoms form nearly ideal 2D honeycomb lattice while the IrO6 octahedra experience a trigonal distortion that is critical to the ground state. The results of this study provide much-needed experimental insights into the magnetic and crystal structure crucial to the understanding of the exotic magnetic order and possible topological characteristics in the 5 d-electron based honeycomb lattice. Neutron diffraction experiments are also performed to investigate the magnetic and crystal structure of the single layer iridate Sr2IrO4, where new structural information and spin order are obtained that is not available from previous neutron powder diffraction measurement. This work was sponsored in part by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy.
Growth of 2 Inch Eu-doped SrI2 single crystals for scintillator applications

NASA Astrophysics Data System (ADS)

Yoshikawa, Akira; Shoji, Yasuhiro; Yokota, Yuui; Kurosawa, Shunsuke; Hayasaka, Shoki; Chani, Valery I.; Ito, Tomoki; Kamada, Kei; Ohashi, Yuji; Kochurikhin, Vladimir

2016-10-01

A vertical Bridgman (VB) crystal growth process was established using modified micro-pulling-down (μ-PD) crystal growth system with a removable chamber that was developed for the growth of deliquescent halide single crystals because conventional μ-PD method does not allow growth of large bulk single crystals. Eu:SrI2 crystals were grown from the melt of (Sr0.98Eu0.02)I2 composition using carbon crucibles. Undoped μ-PD SrI2 crystals were used as seeds that were affixed to the bottom of the crucible. All the preparations preceding the growths and the hot zone assembling were performed in a glove box with Ar gas. Then the removable chamber was taken out of the glove box, attached to the μ-PD system, connected with a Turbo Molecular pump, and evacuated down to 10-4 Pa at 300 °C. After the baking procedure, high purity Ar gas (6N) was injected into the chamber. The crucible was heated by a high frequency induction coil up to the melting point of Eu:SrI2. After melting the starting materials, the crucible was displaced in downward direction for the crystal growth and then cooled down to room temperature. Thus, 2 in. and crack-free Eu:SrI2 bulk crystals were produced. The crystals had high transparency and did not contain any visible inclusions. The crystals were cut and polished in the glove box and then sealed in an aluminum container with an optical window for characterization. The details of the crystal growth are discussed.
Synthesis, crystal and electronic structure of the quaternary sulfides Ln{sub 2}CuMS{sub 5} (Ln=La, Ce; M=Sb, Bi)

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

Kussainova, Ardak M.; Department of Chemistry and Biochemistry, University of Delaware, Newark, DE 19716; Akselrud, Lev G.

2016-01-15

The series of quaternary sulfides with general formula Ln{sub 2}CuMS{sub 5} (Ln=La, Ce; M=Sb, Bi) have been synthesized by solid-state reactions. Three representative members have been structurally characterized by single-crystal X-ray diffraction. La{sub 2}CuSbS{sub 5} crystallizes in a new structure type (space group Ima2 (no. 46), Z=4, a=13.401(2) Å, b=7.592(1) Å, c=7.598(1) Å, V=773.1(3) Å{sup 3}). The bismuth analogs of composition La{sub 2}CuBiS{sub 5} and Ce{sub 2}CuBiS{sub 5} crystallize with the La{sub 2}CuInSe{sub 5} structure type (space group Pnma (no. 62), Z=4). Lattice parameters for La{sub 2}CuBiS{sub 5}: a=11.9213(5) Å, b=3.9967(2) Å, c=17.0537(8) Å, V=812.56(7) Å{sup 3}; lattice parameters formore » Ce{sub 2}CuBiS{sub 5}: a=11.9179(15) Å, b=3.9596(5) Å, c=16.955(2) Å, V=800.13(17) Å{sup 3}). The similarities and the differences between the two structures are discussed. Electronic structure calculations for La{sub 2}CuSbS{sub 5} and La{sub 2}CuBiS{sub 5} are also presented; they suggest semiconducting behavior with energy gaps exceeding 1.7 eV. - Graphical abstract: La{sub 2}CuSbS{sub 5} crystallizes in a new structure type (space group Ima2 (no. 46). Its bismuth analog La{sub 2}CuBiS{sub 5} crystallizes in the La{sub 2}CuInSe{sub 5} structure type (space group Pnma (no. 62)). Z=4, a=11.9213(5) Å, b=3.9967(2) Å, c=17.0536(10) Å, V=813.53(10) Å{sup 3}). The structures are based on rare-earth metal atoms coordinated by S atoms in a trigonal-prismatic and/or square-antiprismatic fashion, Cu-centered tetrahedra, and pnictogen atoms in pyramidal or distorted octahedral coordination. - Highlights: • Ln{sub 2}CuSbS{sub 5} are complex quarternary phases crystallizing in their own structure type. • Ln{sub 2}CuSbS{sub 5} and Ce{sub 2}CuBiS{sub 5} are new compound in the respective ternary phase diagrams. • Ln{sub 2}CuSbS{sub 5} on one side, and Ln{sub 2}CuBiS{sub 5} on the other are not isotypic.« less

Undulated oxo-centered layers in PbLn3O4(VO4) (Ln= La and Nd) and relationship with Nd4O4(GeO4)

NASA Astrophysics Data System (ADS)

Colmont, Marie; Mentré, Olivier; Henry, Natacha; Pautrat, Alain; Leclercq, Bastien; Capet, Frédéric; Djelal, Nora; Roussel, Pascal

2018-04-01

Single crystals of PbLa3O4(VO4) have been synthesized using the flux growth technique and characterized by X-ray diffraction. The crystal structure of the tittle phase was solved by charge flipping and refined to R1 = 0.024 (wR2 = 0.031) for 2777 reflections [I>3σ(I)]. The compound is orthorhombic and crystallized in the space group Cmcm: a = 5.8686(6)Å, b = 17.898(2)Å, c = 7.9190(7)Å, V = 831.8(1)Å3, Z = 4. The structure is built on [PbLa3O4]3+ layers with zig-zag cross-sections, surrounded by isolated (VO4)3- tetrahedra. Its crystal structure shows direct relationship with the isoformular Nd4O4(GeO4) compound which crystallized in the primitive non centrosymmetric Pb21m sub-group. Its stability in temperature and under air was checked as well as optical properties. In a second part, lanthanum was substituted by neodymium giving rise to a paramagnet and f→ f electronic excitations superposed to the broad absorption front below 3.05 eV related to the presence of VO4 groups.
Elucidation of two photon absorption of ethylenediaminium (2,4-dinitrophenolate) crystals

NASA Astrophysics Data System (ADS)

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

2016-10-01

Optical quality single crystals of ethylenediaminium (2,4-dinitrophenolate) [EDA(2,4)DNP] were grown by solvent evaporation method for optical limiting applications against intense ultrashot pulse lasers. Single crystal XRD showed that the material crystallizes in monoclinic system with centric space group P21/C. The crystal packing diagram was elucidated for the first time in literature and it revealed six hydrogen bonds played a very important role in stabilizing the structure. A bifurcated hydrogen bond was also observed between ethylenediamminium and dinitrophenolate ions. The formation of charge transfer complex during the reaction of ethylenediamine and 2,4-dinitrophenol was strongly evident through the vibrational spectroscopic studies. TG-DTA and DSC curves indicate that the material exhibited strong decomposition at 224 °C. Ground state absorption analysis showed that the grown crystals possess absorption maxima in UV region (270 nm, 346 nm) and wide optical transmittance window (480-1200 nm) in the entire visible and NIR region. Measurement of two photon absorption (2PA) and optical limiting response by Z-scan technique under nanosecond pulse excitation was reported. Hence EDA(2,4)DNP with high 2PA coefficient (0.79 ± 0.04 × 10-10 m/W) and low limiting threshold (2.40 ± 0.05 × 1012 W/m2) will be a potential candidate for optical limiting applications like eye and sensor protection against short pulse lasers that are well spread in human interactive sectors.
[La(UO{sub 2})V{sub 2}O{sub 7}][(UO{sub 2})(VO{sub 4})] the first lanthanum uranyl-vanadate with structure built from two types of sheets based upon the uranophane anion-topology

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

Mer, A.; Obbade, S.; Rivenet, M.

2012-01-15

The new lanthanum uranyl vanadate divanadate, [La(UO{sub 2})V{sub 2}O{sub 7}][(UO{sub 2})(VO{sub 4})] was obtained by reaction at 800 Degree-Sign C between lanthanum chloride, uranium oxide (U{sub 3}O{sub 8}) and vanadium oxide (V{sub 2}O{sub 5}) and the structure was determined from single-crystal X-ray diffraction data. This compound crystallizes in the orthorhombic system with space group P2{sub 1}2{sub 1}2{sub 1} and unit-cell parameters a=6.9470(2) A, b=7.0934(2) A, c=25.7464(6) A, V=1268.73(5) A{sup 3}, Z=4. A full matrix least-squares refinement yielded R{sub 1}=0.0219 for 5493 independent reflections. The crystal structure is characterized by the stacking of uranophane-type sheets {sup 2}{sub {infinity}}[(UO{sub 2})(VO{sub 4})]{sup -}more » and double layers {sup 2}{sub {infinity}}[La(UO{sub 2})(V{sub 2}O{sub 7})]{sup +} connected through La-O bonds involving the uranyl oxygen of the uranyl-vanadate sheets. The double layers result from the connection of two {sup 2}{sub {infinity}}[La(UO{sub 2})(VO{sub 4}){sub 2}]{sup -} sheets derived from the uranophane anion-topology by replacing half of the uranyl ions by lanthanum atoms and connected through the formation of divanadate entities. - Graphical abstract: A view of the three-dimensional structure of [La(UO{sub 2})V{sub 2}O{sub 7}][(UO{sub 2})(VO{sub 4})]. Highlights: Black-Right-Pointing-Pointer New lanthanum uranyl vanadate divanadate has been synthesized. Black-Right-Pointing-Pointer Structure was determined from single-crystal X-ray diffraction data. Black-Right-Pointing-Pointer Structure is characterized by uranophane-type sheets and double layers {sup 2}{sub {infinity}}[La(UO{sub 2})(V{sub 2}O{sub 7})]{sup +}.« less
Optimization of single crystals of solid electrolytes with tysonite-type structure (LaF3) for conductivity at 293 K: 2. Nonstoichiometric phases R 1- y M y F3- y ( R = La-Lu, Y; M = Sr, Ba)

NASA Astrophysics Data System (ADS)

Sorokin, N. I.; Sobolev, B. P.; Krivandina, E. A.; Zhmurova, Z. I.

2015-01-01

Single crystals of fluorine-conducting solid electrolytes R 1 - y Sr y F3 - y and R 1 - y Ba y F3 - y ( R = La-Lu, Y) with a tysonite-type structure (LaF3) have been optimized for room-temperature conductivity σ293 K. The optimization is based on high-temperature measurements of σ( T) in two-component nonstoichiometric phases R 1 - y M y F3 - y ( M = Sr, Ba) as a function of the MF2 content. Optimization for thermal stability is based on studying the phase diagrams of MF2- RF3 systems ( M = Sr, Ba) and the behavior of nonstoichiometric crystals upon heating when measuring temperature dependences σ( T). Single crystals of many studied R 1 - y Sr y F3 - y and R 1 - y Ba y F3 - y phases have σ293 K values large enough to use these materials in solid-state electrochemical devices (chemical sensors, fluorine-ion batteries, accumulators, etc.) operating at room temperature.
Realization of single terminated surface of perovskite oxide single crystals and their band profile: (LaAlO3)0.3(Sr2AlTaO6)0.7, SrTiO3 and KTaO3 case study

NASA Astrophysics Data System (ADS)

Tomar, Ruchi; Wadehra, Neha; Budhiraja, Vaishali; Prakash, Bhanu; Chakraverty, S.

2018-01-01

To characterize the physical properties of thin films without ambiguity and design interface with new functionalities, it is essential to have detailed knowledge of physical properties and appropriate estimation of the band profile of perovskite oxide substrates. We have developed and demonstrated a chemical free unified framework to realize single terminated surface of KTaO3, (LaAlO3)0.3 (Sr2AlTaO6)0.7 and SrTiO3 (001) oriented single crystals. The electronic band line-up of these single crystal substrates, using a combination of optical spectroscopy and Kelvin Probe Force Microscopy, has been constructed. A polar-polar interface of KTaO3 and LaBO3 (B-Transition metal ion) before and after the possible surface/electronic reconstruction has also been schematically presented.
Crystal structure, Raman scattering and magnetic properties of CuCr2-xZrxSe4 and CuCr2-xSnxSe4 selenospinels

NASA Astrophysics Data System (ADS)

Pinto, C.; Galdámez, A.; Barahona, P.; Moris, S.; Peña, O.

2018-06-01

Selenospinels, CuCr2-xMxSe4 (M = Zr and Sn), were synthesized via conventional solid-state reactions. The crystal structure of CuCr1.5Sn0.5Se4, CuCr1.7Sn0.3Se4, CuCr1.5Zr0.5Se4, and CuCr1.8Zr0.2Se4 were determined using single-crystal X-ray diffraction. All the phases crystallized in a cubic spinel-type structure. The chemical compositions of the single-crystals were examined using energy-dispersive X-ray analysis (EDS). Powder X-ray diffraction patterns of CuCr1.3Sn0.7Se4 and CuCr1.7Sn0.3Se4 were consistent with phases belonging to the Fd 3 bar m Space group. An analysis of the vibrational properties on the single-crystals was performed using Raman scattering measurements. The magnetic properties showed a spin glass behavior with increasing Sn content and ferromagnetic order for CuCr1.7Sn0.3Se4.
Growth and spectroscopic properties of Tm3+:NaBi(MoO4)2 single crystal

NASA Astrophysics Data System (ADS)

Gusakova, N. V.; Mudryi, A. V.; Demesh, M. P.; Yasukevich, A. S.; Pavlyuk, A. A.; Kornienko, A. A.; Dunina, E. B.; Khodasevich, I. A.; Orlovich, V. A.; Kuleshov, N. V.

2018-06-01

In this work we report the spectroscopic properties of Tm3+:NaBi(MoO4)2 crystals with the dopant concentrations of 0.7 at.% and 3 at.%. The energy levels of the Tm3+ in the NaBi(MoO4)2 host were determined from polarized optical absorption and photoluminescence spectra measured at 77.4 K. Radiative properties of the crystals were calculated in context of Judd-Ofelt theory. Raman spectra of the crystal were studied. The concentration dependences of emission decay times of 3H4 and 3F4 levels were analyzed. The potential of the crystal for building tunable and ultrafast pulse lasers is shown on the base of cross sections and gain coefficient in the range of 1.9 μm.
Fluorescence XAS using Ge PAD: Application to High-Temperature Superconducting Thin Film Single Crystals

NASA Astrophysics Data System (ADS)

Oyanagi, H.; Tsukada, A.; Naito, M.; Saini, N. L.; Zhang, C.

2007-02-01

A Ge pixel array detector (PAD) with 100 segments was used in fluorescence x-ray absorption spectroscopy (XAS) study, probing local structure of high temperature superconducting thin film single crystals. Independent monitoring of individual pixel outputs allows real-time inspection of interference of substrates which has long been a major source of systematic error. By optimizing grazing-incidence angle and azimuthal orientation, smooth extended x-ray absorption fine structure (EXAFS) oscillations were obtained, demonstrating that strain effects can be studied using high-quality data for thin film single crystals grown by molecular beam epitaxy (MBE). The results of (La,Sr)2CuO4 thin film single crystals under strain are related to the strain dependence of the critical temperature of superconductivity.
Top-seeded solution growth and morphology change of RbTiOPO4:Ta single crystal

NASA Astrophysics Data System (ADS)

Li, Ziqing; Chen, Yang; Zhu, Pengfei; Ji, Nianjing; Duan, Xiulan; Jiang, Huaidong

2018-04-01

The RbTiOPO4:Ta single crystal with dimensions of 4 mm × 31 mm × 18 mm was successfully grown by Top Seeded Solution Growth Technique. It is concluded that the doping Ta element can strongly influence the growth and morphology of the RbTiOPO4 crystal. The evident morphology change of RbTiOPO4:Ta crystal with respect to RbTiOPO4 crystal has been observed and the (1 0 0) crystal face was more developed than any other crystal faces. The possible reasons of the morphology change were analyzed through experimental and theoretical methods. Several methods were tried to increase crystallographic a direction dimension of RbTiOPO4:Ta crystals. Finally, the RbTiOPO4:Ta single crystal with crystallographic a direction dimension up to 6 mm was obtained by using thicker seed crystal. This way makes it possible to get isometric RbTiOPO4:Ta crystals, which is beneficial for nonlinear optical applications due to larger area in x-y plane.
Nonlinear absorption in single LaF3 and MgF2 layers at 193 nm measured by surface sensitive laser induced deflection technique

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

Muehlig, Christian; Bublitz, Simon; Kufert, Siegfried

2009-12-10

We report nonlinear absorption data of LaF3 and MgF2 single layers at 193 nm. A highly surface sensitive measurement strategy of the laser induced deflection technique is introduced and applied to measure the absorption of highly transparent thin films independently of the substrate absorption. Linear absorptions k=({alpha}x{lambda})/4{pi} of 2x10{sup -4} and 8.5x10{sup -4} (LaF3) and 1.8x10{sup -4} and 6.9x10{sup -4} (MgF2) are found. Measured two photon absorption (TPA) coefficients are {beta}=1x10{sup -4} cm/W (LaF3), 1.8x10{sup -5}, and 5.8x10{sup -5} cm/W (MgF2). The TPA coefficients are several orders of magnitude higher than typical values for fluoride single crystals, which is likelymore » to result from sequential two step absorption processes.« less
Growth, optical, luminescence, thermal and mechanical behavior of an organic single crystal: 3-Acetyl-2-methyl-4-phenylquinolin-1-ium chloride.

PubMed

Nirosha, M; Kalainathan, S; Sarveswari, S; Vijayakumar, V

2014-04-05

A single crystal of 3-acetyl-2-methyl-4-phenylquinolin-1-ium chloride has grown by slow evaporation solution growth technique using ethanol as solvent. The structural, thermal, optical and mechanical property has studied for the grown crystal. Single crystal XRD revealed that the crystal belongs to monoclinic system with space group P21/c. The presences of Functional groups in the crystallized material have confirmed using the FTIR vibrational spectrum. The optical absorbance spectrum recorded from 190 to 1100nm shows the cut-off wavelength occurs at 371nm. The material shows its transparency in the entire region of the visible spectrum. The photoluminescence spectrum shows the ultraviolet and blue emission in the crystal. Thermogravimetric and differential thermal analysis reveal the thermal stability of the grown crystal. Etching study shows the grown mechanism and surface features of the crystal. Vickers microhardness studies have carried out on the (01-1) plane to understand the mechanical properties of the grown crystal. The hardness of the title compound increases on increasing the load. The Meyer's index number (n), and the stiffness constants for different loads has calculated and reported. Copyright © 2013 Elsevier B.V. All rights reserved.
Metallic Borides, La 2 Re 3 B 7 and La 3 Re 2 B 5 , Featuring Extensive Boron–Boron Bonding

DOE PAGES

Bugaris, Daniel E.; Malliakas, Christos D.; Chung, Duck Young; ...

2016-01-26

We synthesized La 2Re 3B 7 and La 3Re 2B 5 in single-crystalline form from a molten La/Ni eutectic at 1000°C, in the first example of the flux crystal growth of ternary rare-earth rhenium borides. Both compounds crystallize in their own orthorhombic structure types, with La 2Re 3B 7 (space group Pcca) having lattice parameters a = 7.657(2) Å, b = 6.755(1) Å, and c = 11.617(2) Å, and La 3Re 2B 5 (space group Pmma) having lattice parameters a = 10.809(2) Å, b = 5.287(1) Å, and c = 5.747(1) Å. Furthermore, the compounds possess three-dimensional framework structures thatmore » are built up from rhenium boride polyhedra and boron-boron bonding. La 3Re 2B 5 features fairly common B 2 dumbbells, whereas La 2Re 3B 7 has unique one-dimensional subunits composed of alternating triangular B3 and trans-B4 zigzag chain fragments. Also observed in La 3Re 2B 5 is an unusual coordination of B by an octahedron of La atoms. Electronic band structure calculations predict that La 2Re 3B 7 is a semimetal, which is observed in the electrical resistivity data as measured on single crystals, with behavior obeying the Bloch-Grüneisen model and a room-temperature resistivity ρ300K of ~ 375 μΩ cm. The electronic band structure calculations also suggest that La 3Re 2B 5 is a regular metal.« less
Metallic Borides, La 2 Re 3 B 7 and La 3 Re 2 B 5 , Featuring Extensive Boron–Boron Bonding

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

Bugaris, Daniel E.; Malliakas, Christos D.; Chung, Duck Young

We synthesized La 2Re 3B 7 and La 3Re 2B 5 in single-crystalline form from a molten La/Ni eutectic at 1000°C, in the first example of the flux crystal growth of ternary rare-earth rhenium borides. Both compounds crystallize in their own orthorhombic structure types, with La 2Re 3B 7 (space group Pcca) having lattice parameters a = 7.657(2) Å, b = 6.755(1) Å, and c = 11.617(2) Å, and La 3Re 2B 5 (space group Pmma) having lattice parameters a = 10.809(2) Å, b = 5.287(1) Å, and c = 5.747(1) Å. Furthermore, the compounds possess three-dimensional framework structures thatmore » are built up from rhenium boride polyhedra and boron-boron bonding. La 3Re 2B 5 features fairly common B 2 dumbbells, whereas La 2Re 3B 7 has unique one-dimensional subunits composed of alternating triangular B3 and trans-B4 zigzag chain fragments. Also observed in La 3Re 2B 5 is an unusual coordination of B by an octahedron of La atoms. Electronic band structure calculations predict that La 2Re 3B 7 is a semimetal, which is observed in the electrical resistivity data as measured on single crystals, with behavior obeying the Bloch-Grüneisen model and a room-temperature resistivity ρ300K of ~ 375 μΩ cm. The electronic band structure calculations also suggest that La 3Re 2B 5 is a regular metal.« less
Brownmillerite Ca 2 Co 2 O 5 : Synthesis, Stability, and Re-entrant Single Crystal to Single Crystal Structural Transitions

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

Zhang, Junjie; Zheng, Hong; Malliakas, Christos D.

2014-11-20

We synthesized Ca 2Co 2O 5 in the brownmillerite form using a high-pressure optical-image floating zone furnace, and single crystals with dimensions up to 1.4×0.8×0.5 mm 3 were obtained. At room temperature, Ca 2Co 2O 5 crystallizes as a fully ordered brownmillerite variant in the orthorhombic space group Pcmb (No. 57) with unit cell parameters a=5.28960(10) Å, b=14.9240(2) Å, and c=10.9547(2) Å. Furthermore, with decreasing temperature, it undergoes re-entrant sequence of first-order structural phase transitions (Pcmb→ P2/c11→ P121/m1→ Pcmb) that is unprecedented among brownmillerites, broadening the family of space groups available to these materials and challenging current approaches for sortingmore » the myriad variants of brownmillerite structures. Magnetic susceptibility data indicate antiferromagnetic ordering in Ca 2Co 2O 5 occurs near 240 K, corroborated by neutron powder diffraction. Below 140 K, Ca 2Co 2O 5 shows a weak ferromagnetic component directed primarily along the b axis, and it also exhibits thermal and magnetic history dependence in magnetization.« less
Bridgman-Stockbarger growth of SrI2:Eu2+ single crystal

NASA Astrophysics Data System (ADS)

Raja, A.; Daniel, D. Joseph; Ramasamy, P.; Singh, S. G.; Sen, S.; Gadkari, S. C.

2018-05-01

Strontium Iodide (SrI2): Europium Iodide (EuI2) was purified by Zone-refinement process. Europium doped strontium iodide (SrI2:Eu2+) single crystal was grown by modified vertical Bridgman - Stockbarger technique. Photoluminescence (PL) excitation and emission (PLE) spectra were measured for Eu2+ doped SrI2 crystal. The sharp emission was recorded at 432 nm. Scintillation properties of the SrI2:Eu2+ crystal were checked by the gamma ray spectrometer using 137Cs gamma source.
Infrared-active optical phonons in LiFePO4 single crystals

NASA Astrophysics Data System (ADS)

Stanislavchuk, T. N.; Middlemiss, D. S.; Syzdek, J. S.; Janssen, Y.; Basistyy, R.; Sirenko, A. A.; Khalifah, P. G.; Grey, C. P.; Kostecki, R.

2017-07-01

Infrared-active optical phonons were studied in olivine LiFePO4 oriented single crystals by means of both rotating analyzer and rotating compensator spectroscopic ellipsometry in the spectral range between 50 and 1400 cm-1. The eigenfrequencies, oscillator strengths, and broadenings of the phonon modes were determined from fits of the anisotropic harmonic oscillator model to the data. Optical phonons in a heterosite FePO4 crystal were measured from the delithiated ab-surface of the LiFePO4 crystal and compared with the phonon modes of the latter. Good agreement was found between experimental data and the results of solid-state hybrid density functional theory calculations for the phonon modes in both LiFePO4 and FePO4.
Growth and microtopographic study of CuInSe{sub 2} single crystals

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

Chauhan, Sanjaysinh M.; Chaki, Sunil, E-mail: sunilchaki@yahoo.co.in; Deshpande, M. P.

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.
Growth and properties of oxygen- and ion-doped Bi2Sr2CaCu2O8+δ single crystals

NASA Astrophysics Data System (ADS)

Mitzi, D. B.; Lombardo, L. W.; Kapitulnik, A.; Laderman, S. S.; Jacowitz, R. D.

1990-04-01

A directional solidification method for growing large single crystals in the Bi2Sr2CaCu2O8+δ system is reported. Ion doping, with replacement of La for Sr and Y for Ca, as well as oxygen doping in these crystals has been explored. Doped and undoped crystals have been characterized using microprobe analysis, x-ray diffraction, thermogravimetric analysis, and magnetic and Hall measurements. Ion doping results in little change of the superconducting transition for substitution levels below 20-25%, while beyond this level the Meissner signal broadens and the low-temperature Meissner signal decreases. Microprobe analysis and x-ray diffraction performed on these more highly substituted single crystals provide evidence for inhomogeneity and phase segregation into regions of distinct composition. Annealing unsubstituted crystals in increasing partial pressures of oxygen reversibly depresses the superconducting transition temperature from 90 (as made) to 77 K (oxygen pressure annealed), while the carrier concentrations, as determined from Hall effect measurements, increase from n=3.1(3)×1021 cm-3 (0.34 holes per Cu site) to 4.6(3)×1021 cm-3 (0.50 holes per Cu site). No degradation of the Meissner transition or other indications of inhomogeneity or phase segregation with doping are noted, suggesting that oxygen-doped Bi2Sr2CaCu2O8+δ is a suitable system for pursuing doping studies. The decrease in Tc with concentration for 0.34<=n<=0.50 indicates that a high-carrier-concentration regime exists in which Tc decreases with n and suggests that this decrease does not arise from material inhomogeneity or other materials problems. An examination of the variation of Tc with the density of states and lattice constants for all of the doped and undoped superconducting samples considered here indicates that changes in Tc with doping are primarily affected by changes in the density of states (or carrier concentration) rather than by structural variation induced by the doping.
Stacked charge stripes in the quasi-2D trilayer nickelate La4Ni3O8

NASA Astrophysics Data System (ADS)

Zhang, Junjie; Chen, Yu-Sheng; Phelan, D.; Zheng, Hong; Norman, M. R.; Mitchell, J. F.

2016-08-01

The quasi-2D nickelate La4Ni3O8 (La-438), consisting of trilayer networks of square planar Ni ions, is a member of the so-called T' family, which is derived from the Ruddlesden-Popper (R-P) parent compound La4Ni3O10-x by removing two oxygen atoms and rearranging the rock salt layers to fluorite-type layers. Although previous studies on polycrystalline samples have identified a 105-K phase transition with a pronounced electronic and magnetic response but weak lattice character, no consensus on the origin of this transition has been reached. Here, we show using synchrotron X-ray diffraction on high-pO2 floating zone-grown single crystals that this transition is associated with a real space ordering of charge into a quasi-2D charge stripe ground state. The charge stripe superlattice propagation vector, q = (2/3, 0, 1), corresponds with that found in the related 1/3-hole doped single-layer R-P nickelate, La5/3Sr1/3NiO4 (LSNO-1/3; Ni2.33+), with orientation at 45° to the Ni-O bonds. The charge stripes in La-438 are weakly correlated along c to form a staggered ABAB stacking that reduces the Coulomb repulsion among the stripes. Surprisingly, however, we find that the charge stripes within each trilayer of La-438 are stacked in phase from one layer to the next, at odds with any simple Coulomb repulsion argument.
Single crystal growth and physical properties of BiS2-layered compound Eu3Bi2S4F4

NASA Astrophysics Data System (ADS)

Higashinaka, Ryuji; Endo, Hideaki; Kajitani, Joe; Matsuda, Tatsuma D.; Aoki, Yuji

2018-05-01

We have for the first time succeeded in growing single crystals of Eu3Bi2S4F4 by CsCl-flux method and performed magnetic property measurements. Magnetization measurements ascertained that the antiferromagnetic transition appears at TN = 2.2 K. The effective moment estimated from a Curie-Weiss (CW) fitting above 150 K is smaller than the free ion value for Eu2+, indicating that the average valence of Eu ions deviates from divalent. Weak magnetic anisotropy develops below 20 K. From CW fitting at low temperatures, we found the difference in Curie Weiss temperature between H∥ [001] and H ⊥ [ 100 ] , indicating the anisotropy of magnetic interaction between Eu ions. In the magnetization curve at 2 K (below TN), a metamagnetic anomaly appears only for the [001] direction around 0.7 T. Since this anomaly disappears above TN, this transition originates from the spin flip of Eu magnetic moments by applying magnetic field. This finding indicates that the ordered moments in the antiferromagnetic state are parallel to the [001] direction, being consistent with the anisotropic Weiss temperature, which is 20% larger for this direction.

Low temperature time resolved photoluminescence in ordered and disordered Cu2ZnSnS4 single crystals

NASA Astrophysics Data System (ADS)

Raadik, Taavi; Krustok, Jüri; Kauk-Kuusik, M.; Timmo, K.; Grossberg, M.; Ernits, K.; Bleuse, J.

2017-03-01

In this work we performed time-resolved micro-photoluminescence (TRPL) studies of Cu2ZnSnS4 (CZTS) single crystals grown in molten KI salt. The order/disorder degree of CZTS was varied by the thermal post treatment temperature. Photoluminescence spectra measured at T=8 K showed an asymmetric band with a peak position of 1.33 eV and 1.27 eV for partially ordered and disordered structures, respectively. Thermal activation energies were found to be ET (PO) =65±9 meV for partially ordered and ET (PD) =27±4 meV for partially disordered. These low activation energy values indicating to the defect cluster recombination model for both partially ordered and disordered structures. TRPL was measured for both crystals and their decay curves were fitted with a stretched exponential function, in order to describe the charge carriers' recombination dynamics at low temperature.
Luminescence properties of Eu3+ doped CdF2 single crystals

NASA Astrophysics Data System (ADS)

Boubekri, H.; Diaf, M.; Guerbous, L.; Jouart, J. P.

2018-04-01

This paper reports the photoluminescence properties of Eu3+ doped CdF2 single crystals. The pulled crystals were prepared by use of the Bridgman technique from a vacuum furnace in fluoride atmosphere. Absorption, excitation and emission spectra of the crystal doped with three Eu3+ concentrations (0.02%, 0.1% and 0.6% mol.) were recorded at room temperature. The emission spectra exhibit a strong yellow and red emissions in the spectral range 550-720 nm which are assigned to 5D0 → 7FJ (J = 1, 2, 4) transitions and a weak infrared emission around 816 nm corresponding to 5D0 → 7F6 transition. The magnetic dipole emission (5D0 → 7F1) is the most intense for each Eu3+ concentration. The Judd-Ofelt intensity parameters Ω2, Ω4, Ω6 for 4f-4f transitions of Eu3+ ions were computed from the emission spectra using the 5D0 → 7FJ (J = 1, 2, 4, 6) transitions. Via these phenomenological intensity parameters, the spontaneous emission probabilities, branching ratios, radiative lifetimes, quantum efficiencies and emission cross-sections for the main Eu3+ emitting levels are evaluated.
Infrared-active optical phonons in LiFePO 4 single crystals

DOE PAGES

Stanislavchuk, T. N.; Middlemiss, D. S.; Syzdek, J. S.; ...

2017-07-28

Infrared-active optical phonons were studied in olivine LiFePO 4 oriented single crystals by means of both rotating analyzer and rotating compensator spectroscopic ellipsometry in the spectral range between 50 and 1400 cm -1. The eigenfrequencies, oscillator strengths, and broadenings of the phonon modes were determined from fits of the anisotropic harmonic oscillator model to the data. Optical phonons in a heterosite FePO 4 crystal were measured from the delithiated ab-surface of the LiFePO 4 crystal and compared with the phonon modes of the latter. Good agreement was found between experimental data and the results of solid-state hybrid density functional theorymore » calculations for the phonon modes in both LiFePO 4 and FePO 4.« less
Comparison of the optical parameters of a CaF{sub 2} single crystal and optical ceramics

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

Palashov, O V; Khazanov, E A; Mukhin, I B

Single crystal and optical ceramic CaF{sub 2} samples are studied by the method of thermally induced depolarisation of laser radiation at 1076 nm. The absorption coefficients of the single crystal and ceramics are estimated as {alpha} < 4.5x10{sup -4} cm{sup -1} and {alpha} < 1.33x10{sup -3} cm{sup -1}, respectively. (letters)
Structural, thermal and optical properties of KTi(0.92)La(0.08)OPO4 and KTi(0.94)Nd(0.06)OPO4.

PubMed

Sadhasivam, S; Perumal, Rajesh Narayana; Ramasamy, P

2015-10-05

KTi0.92La0.08OPO4 (KTP:La) and KTi0.94Nd0.06OPO4 (KTP:Nd) single crystals are grown using high temperature top seeded flux growth technique. The strain derived from doping is calculated from Williamson-Hall relation. The packing structure and lattice parameter of the grown crystals are analyzed using single crystal X-ray diffraction. The bonding, distortion and change in inter-atomic distances by strain effects of doping are assessed by Raman spectroscopy. Thermal stabilities of grown crystals are evaluated by specific heat capacity measurement. Pronounced high specific heat capacity is recorded as 1.16 J/gK at 498 K for KTP:Nd. Second harmonic generation intensities are measured for KTP:Nd and KTP:La single crystal. Copyright © 2015 Elsevier B.V. All rights reserved.
Single crystals of (FeIn{sub 2}S{sub 4}){sub x} · (CuIn{sub 5}S{sub 8}){sub 1–x} alloys: Crystal structure, nuclear gamma resonance spectra, and thermal expansion

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

Bodnar, I. V., E-mail: chemzav@bsuir.by; Zhafar, M. A.; Kasyuk, Yu. V.

FeIn{sub 2}S{sub 4} and CuIn{sub 5}S{sub 8} compounds and (FeIn{sub 2}S{sub 4}){sub x} · (CuIn{sub 5}S{sub 8}){sub 1–x} alloy single crystals are grown by planar crystallization. It is shown that both of the initial FeIn{sub 2}S{sub 4} and CuIn{sub 5}S{sub 8} compounds and alloys on their basis crystallize with the formation of the cubic spinel structure. It is established that the unit-cell parameter a linearly varies with the composition parameter x. By means of nuclear gamma resonance spectroscopy in the transmission mode of measurements, the local states of iron ions in the alloys are studied. For the single crystals grownmore » in the study, thermal expansion is explored using the dilatometry technique, the thermal-expansion coefficients are determined, and the Debye temperature and rms (root-mean-square) dynamic displacements are calculated.« less
Growth and characterization of 4-chloro-3-nitrobenzophenone single crystals using vertical Bridgman technique

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

Aravinth, K., E-mail: anandcgc@gmail.com; Babu, G. Anandha, E-mail: anandcgc@gmail.com; Ramasamy, P., E-mail: anandcgc@gmail.com

2014-04-24

4-chloro-3-nitrobenzophenone (4C3N) has been grown by using vertical Bridgman technique. The grown crystal was confirmed by Powder X-ray diffraction analysis. The crystalline perfection of the grown crystal was examined by high-resolution X-ray diffraction study. The fluorescence spectra of grown 4C3N single crystals exhibit emission peak at 575 nm. The micro hardness measurements were used to analyze the mechanical property of the grown crystal.
Intricate Li-Sn Disorder in Rare-Earth Metal-Lithium Stannides. Crystal Chemistry of RE3Li4- xSn4+ x (RE = La-Nd, Sm; x < 0.3) and Eu7Li8- xSn10+ x ( x ≈ 2.0).

PubMed

Suen, Nian-Tzu; Guo, Sheng-Ping; Hoos, James; Bobev, Svilen

2018-05-07

Reported are the syntheses, crystal structures, and electronic structures of six rare-earth metal-lithium stannides with the general formulas RE 3 Li 4- x Sn 4+ x (RE = La-Nd, Sm) and Eu 7 Li 8- x Sn 10+ x . These new ternary compounds have been synthesized by high-temperature reactions of the corresponding elements. Their crystal structures have been established using single-crystal X-ray diffraction methods. The RE 3 Li 4- x Sn 4+ x phases crystallize in the orthorhombic body-centered space group Immm (No. 71) with the Zr 3 Cu 4 Si 4 structure type (Pearson code oI22), and the Eu 7 Li 8- x Sn 10+ x phase crystallizes in the orthorhombic base-centered space group Cmmm (No. 65) with the Ce 7 Li 8 Ge 10 structure type (Pearson code oC50). Both structures can be consdered as part of the [RESn 2 ] n [RELi 2 Sn] m homologous series, wherein the structures are intergrowths of imaginary RESn 2 (AlB 2 -like structure type) and RELi 2 Sn (MgAl 2 Cu-like structure type) fragments. Close examination the structures indicates complex occupational Li-Sn disorder, apparently governed by the drive of the structure to achieve an optimal number of valence electrons. This conclusion based on experimental results is supported by detailed electronic structure calculations, carried out using the tight-binding linear muffin-tin orbital method.
Centrosymmetry vs noncentrosymmetry in La2Ga0.33SbS5 and Ce4GaSbS9 based on the interesting size effects of lanthanides: Syntheses, crystal structures, and optical properties

NASA Astrophysics Data System (ADS)

Zhao, Hua-Jun

2016-05-01

Two new quaternary sulfides La2Ga0.33SbS5 and Ce4GaSbS9 have been prepared from stoichiometric elements at 1223 K in an evacuated silica tube. Interestingly, La2Ga0.33SbS5 crystallizes in the centrosymmetric structure, while Ce4GaSbS9 crystallizes in the noncentrosymmetric structure, which show obvious size effects of lanthanides on the crystal structures of these two compounds. Ce4GaSbS9 belongs to RE4GaSbS9 (RE=Pr, Nd, Sm, Gd-Ho) structure type with a=13.8834(9) Å, b=14.3004(11) Å, c=14.4102(13) Å, V=2861.0(4) Å3. The structure features infinite chains of [Ga2Sb2S1110-]∞ propagating along a direction separated by Ce3+ cations and S2- anions. La2Ga0.33SbS5 adopts the family of La4FeSb2S10-related structure with a=7.5193(6) Å, c=13.4126(17) Å, V=758.35(13) Å3. Its structure is built up from the alternate stacking of La/Sb/S and La/Ga/S 2D building blocks. The La/Sb/S slabs consist of teeter-totter chains of Sb1S4 seesaws, which are connected via sharing the apexes of μ4-S1. Moreover, La1 is positionally disordered with Sb1 and stabilized in a bicapped trigonal prismatic coordination sphere. Between these La/Sb/S slabs, La2S8 square antiprisms are connected via edge-sharing into 2D building blocks, creating tetrahedral sites partially occupied by the Ga1 atoms. UV/Vis diffuse reflectance spectroscopy study shows that the optical gap of La2Ga0.33SbS5 is about 1.76 eV.
Electronic structure of single crystalline Bi 2(Sr,Ca,La) 3Cu 2O 8

NASA Astrophysics Data System (ADS)

Lindberg, P. A. P.; Shen, Z.-X.; Dessau, D. S.; Wells, B. O.; Borg, A.; Mitzi, D. B.; Lindau, I.; Spicer, W. E.; Kapitulnik, A.

1989-12-01

Angle-resolved photoemission experiments on single crystals of Bi 2(Sr,Ca,La) 3Cu 2O 8 are reported. The data show a dispersionless behaviour of the valence band states as a function of the perpendicular component of the wave vector (along the c-axis), while as a function of the parallel component (in the a-b plane) clear dispersion occurs. Furthermore, polarization-dependent excitations reveal information on the symmetry of the unoccupied states.
Shock and Release Data on Forsterite (Mg2SiO4) Single Crystals

NASA Astrophysics Data System (ADS)

Root, S.; Townsend, J. P.; Shulenburger, L.; Davies, E.; Kraus, R. G.; Spaulding, D.; Stewart, S. T.; Jacobsen, S. B.; Mattsson, T. R.

2016-12-01

The Kepler mission has discovered numerous extra-solar rocky planets with sizes ranging from Earth-size to the super-Earths with masses 40 times larger than Earth. The solid solution series of (Mg, Fe)2SiO4 (olivine) is a major component in the mantle of Earth and likely these extra-solar rocky planets. However, understanding how the (Mg, Fe)2SiO4 system behaves at Earth like and super-Earth like pressures is still unknown. Using Sandia's Z machine facility, we shock compress single crystal forsterite, the Mg end-member of the olivine series. Solid aluminum flyers are accelerated up to 28 km/s to generate steady shock states up to 950 GPa. Release states from the Hugoniot are determined as well. In addition to experiments, we perform density functional theory (DFT) calculations to examine the potential phases along the Mg2SiO4 Hugoniot. We compare our results to other recent shock experiments on forsterite. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.
Structure and cation ordering in La 2UO 6, Ce 2UO 6, LaUO 4, and CeUO 4 by first principles calculations

DOE PAGES

Casillas-Trujillo, Luis; Xu, H.; McMurray, Jake W.; ...

2016-07-06

In the present work, we have used density functional theory (DFT) and DFT+U to investigate the crystal structure and phase stability of four model compounds in the Ln 2O 3-UO 2-UO 3 ternary oxide system: La2UO 6, Ce 2UO 6, LaUO 4, CeUO 4, due to the highly-correlated nature of the f-electrons in uranium. We have considered both hypothetical ordered compounds and compounds in which the cations randomly occupy atomic sites in a fluorite-like lattice. We determined that ordered compounds are stable and are energetically favored compared to disordered configurations, though the ordering tendencies are weak. To model and analyzemore » the structures of these complex oxides, we have used supercells based on a layered atomic model. In the layer model, the supercell is composed of alternating planes of anions and cations. We have considered two different ordering motifs for the cations, namely single species (isoatomic) cation layers versus mixed species cation layers. Energy differences between various ordered cationic arrangements were found to be small. This may have implications regarding radiation stability, since cationic arrangements should be able to change under irradiation with little cost in energy.« less
Theoretical study on the charge transport in single crystals of TCNQ, F2-TCNQ and F4-TCNQ.

PubMed

Ji, Li-Fei; Fan, Jian-Xun; Zhang, Shou-Feng; Ren, Ai-Min

2018-01-31

2,5-Difluoro-7,7,8,8-tetracyanoquinodimethane (F 2 -TCNQ) was recently reported to display excellent electron transport properties in single crystal field-effect transistors (FETs). Its carrier mobility can reach 25 cm 2 V -1 s -1 in devices. However, its counterparts TCNQ and F 4 -TCNQ (tetrafluoro-7,7,8,8-tetracyanoquinodimethane) do not exhibit the same highly efficient behavior. To better understand this significant difference in charge carrier mobility, a multiscale approach combining semiclassical Marcus hopping theory, a quantum nuclear enabled hopping model and molecular dynamics simulations was performed to assess the electron mobilities of the F n -TCNQ (n = 0, 2, 4) systems in this work. The results indicated that the outstanding electron transport behavior of F 2 -TCNQ arises from its effective 3D charge carrier percolation network due to its special packing motif and the nuclear tunneling effect. Moreover, the poor transport properties of TCNQ and F 4 -TCNQ stem from their invalid packing and strong thermal disorder. It was found that Marcus theory underestimated the mobilities for all the systems, while the quantum model with the nuclear tunneling effect provided reasonable results compared to experiments. Moreover, the band-like transport behavior of F 2 -TCNQ was well described by the quantum nuclear enabled hopping model. In addition, quantum theory of atoms in molecules (QTAIM) analysis and symmetry-adapted perturbation theory (SAPT) were used to characterize the intermolecular interactions in TCNQ, F 2 -TCNQ and F 4 -TCNQ crystals. A primary understanding of various noncovalent interaction responses for crystal formation is crucial to understand the structure-property relationships in organic molecular materials.
Angle and frequency dependence of self-energy from spin fluctuation mediated d-wave pairing for high temperature superconductors.

PubMed

Hong, Seung Hwan; Choi, Han-Yong

2013-09-11

We investigated the characteristics of spin fluctuation mediated superconductivity employing the Eliashberg formalism. The effective interaction between electrons was modeled in terms of the spin susceptibility measured by inelastic neutron scattering experiments on single crystal La(2-x)Sr(x)CuO4 superconductors. The diagonal self-energy and off-diagonal self-energy were calculated by solving the coupled Eliashberg equation self-consistently for the chosen spin susceptibility and tight-binding dispersion of electrons. The full momentum and frequency dependence of the self-energy is presented for optimally doped, overdoped, and underdoped LSCO cuprates in a superconductive state. These results may be compared with the experimentally deduced self-energy from ARPES experiments.
Single crystal growth, magnetic and thermal properties of perovskite YFe0.6Mn0.4O3 single crystal

NASA Astrophysics Data System (ADS)

Xie, Tao; Shen, Hui; Zhao, Xiangyang; Man, Peiwen; Wu, Anhua; Su, Liangbi; Xu, Jiayue

2016-11-01

High quality YFe0.6Mn0.4O3 single crystal was grown by floating zone technique using a four-mirror-image-furnace under flowing air. Powder X-ray diffraction gives well evidence that the specimen has an orthorhombic structure, with space group Pbnm. Temperature dependence of the magnetizations of YFe0.6Mn0.4O3 single crystal were studied under ZFC and FC modes in the temperature range from 5 K to 400 K. A clear spin reorientation transition behavior (Γ4→Γ1) is observed in the temperature range of 322-316 K, due to the substitution of Mn at the Fe site of YFeO3. Its Néel temperature is around 385 K. Moreover, the spin reorientation is verified by the change of magnetic hysteresis loops of the sample along [001] axis in the temperature range of 50-385 K. The thermal properties of the sample were measured by the differential scanning calorimeter (DSC) from 300 K to 500 K, which also clearly appear anomaly in the spin reorientation region.
Surface Structure Spread Single Crystals (S4C): Preparation and characterization

NASA Astrophysics Data System (ADS)

de Alwis, A.; Holsclaw, B.; Pushkarev, V. V.; Reinicker, A.; Lawton, T. J.; Blecher, M. E.; Sykes, E. C. H.; Gellman, A. J.

2013-02-01

A set of six spherically curved Cu single crystals referred to as Surface Structure Spread Single Crystals (S4Cs) has been prepared in such a way that their exposed surfaces collectively span all possible crystallographic surface orientations that can be cleaved from the face centered cubic Cu lattice. The method for preparing these S4Cs and for finding the high symmetry pole point is described. Optical profilometry has been used to determine the true shapes of the S4Cs and show that over the majority of the surface, the shape is extremely close to that of a perfect sphere. The local orientations of the surfaces lie within ± 1° of the orientation expected on the basis of the spherical shape; their orientation is as good as that of many commercially prepared single crystals. STM imaging has been used to characterize the atomic level structure of the Cu(111) ± 11°-S4C. This has shown that the average step densities and the average step orientations match those expected based on the spherical shape. In other words, although there is some distribution of step-step spacing and step orientations, there is no evidence of large scale reconstruction or faceting. The Cu S4Cs have local structures based on the ideal termination of the face centered cubic Cu lattice in the direction of termination. The set of Cu S4Cs will serve as the basis for high throughput investigations of structure sensitive surface chemistry on Cu.
Single-site properties of U impurities doped in La2Zn17 (abstract)

NASA Astrophysics Data System (ADS)

Suzuki, H.; Anzai, K.; Takagi, S.

1997-04-01

Thermodynamic and transport properties of heavy Fermion (HF) U compounds show similar behavior to HF Ce compounds. Although most of the magnetic properties of HF Ce compounds can be qualitatively understood on the basis of the impurity Kondo model, no such consensus for HF U compounds has been reached. In addition to this, the single-site properties of U impurities are not understood so well, in contrast to the case of Ce impurities. Recent works for dilute U systems reported new features as are not seen in dilute Ce systems. We have investigated a dilute-U2Zn17 system of (La1-zUz)2Zn17 in order to reveal the single U ion site properties of this system by preparing single crystals. The impurity contributions to various physical quantities such as ρimp(T), χimp(T), and Cimp(T) can be scaled by the U concentration between z=0.025 and 0.05, and the system is considered as in the dilute limit still for z=0.05. The electrical resistivity shows the typical impurity-Kondo upturn at low temperatures. The electronic specific-heat coefficient is strongly enhanced (γimp≈1.5 J/K2 mole U) and about 4 times as large as that for dense U2Zn17. Suppressions of the Kondo effect by the magnetic field are seen in γimp(H) and magnetoresistance. The relatively large anisotropy in χimp(T) indicates an existence of the crystal field. These features of this system will be explained in terms of the Kondo effect in the presence of the crystal field.
Synthesis, structural, optical and thermal studies of an organic nonlinear optical 4-aminopyridinium maleate single crystal.

PubMed

Pandi, P; Peramaiyan, G; Kumar, M Krishna; Kumar, R Mohan; Jayavel, R

2012-03-01

Synthesis and growth of a novel organic nonlinear optical (NLO) crystal of 4-aminopyridinium maleate (4APM) in larger size by the slow evaporation solution growth technique are reported. Single crystal and powder X-ray diffraction analyses reveal that 4APM crystallizes in monoclinic system with space group P2(1) with cell parameters a=8.140(4)Å, b=5.457(5)Å, c=10.926(10)Å and volume=481.4(7)Å(3). The grown crystal has been characterized by Fourier transform infrared and UV-visible spectral analyses. Thermogravimetric analysis (TGA) and differential thermal analysis (DTA) have been carried out to study its thermal properties. Dielectric measurements have been carried out to study the distribution of charges within the crystal. The mechanical strength of the crystal has been studied by using Vickers' microhardness test. The etching studies have been carried out on the grown crystal. The Kurtz and Perry powder SHG technique confirms the NLO property of the grown crystal and the SHG efficiency of 4APM was found to be 4.8 times greater than that of KDP crystal. Copyright © 2011 Elsevier B.V. All rights reserved.
Antiferromagnetism in EuCu 2As 2 and EuCu 1.82Sb 2 single crystals

DOE PAGES

Anand, V. K.; Johnston, D. C.

2015-05-07

Single crystals of EuCu 2As 2 and EuCu 2Sb 2 were grown from CuAs and CuSb self-flux, respectively. The crystallographic, magnetic, thermal, and electronic transport properties of the single crystals were investigated by room-temperature x-ray diffraction (XRD), magnetic susceptibility χ versus temperature T, isothermal magnetization M versus magnetic field H, specific heat C p(T), and electrical resistivity ρ(T) measurements. EuCu 2As 2 crystallizes in the body-centered tetragonal ThCr 2Si 2-type structure (space group I4/mmm), whereas EuCu 2Sb 2 crystallizes in the related primitive tetragonal CaBe 2Ge 2-type structure (space group P4/nmm). The energy-dispersive x-ray spectroscopy and XRD data for themore » EuCu 2Sb 2 crystals showed the presence of vacancies on the Cu sites, yielding the actual composition EuCu 1.82Sb 2. The ρ(T) and C p(T) data reveal metallic character for both EuCu 2As 2 and EuCu 1.82Sb 2. Antiferromagnetic (AFM) ordering is indicated from the χ(T),C p(T), and ρ(T) data for both EuCu 2As 2 (T N = 17.5 K) and EuCu 1.82Sb 2 (T N = 5.1 K). In EuCu 1.82Sb 2, the ordered-state χ(T) and M(H) data suggest either a collinear A-type AFM ordering of Eu +2 spins S = 7/2 or a planar noncollinear AFM structure, with the ordered moments oriented in the tetragonal ab plane in either case. This ordered-moment orientation for the A-type AFM is consistent with calculations with magnetic dipole interactions. As a result, the anisotropic χ(T) and isothermal M(H) data for EuCu 2As 2, also containing Eu +2 spins S = 7/2, strongly deviate from the predictions of molecular field theory for collinear AFM ordering and the AFM structure appears to be both noncollinear and noncoplanar.« less
2Flux growth and characterization of Ce-substituted Nd 2 Fe 14 B single crystals

DOE PAGES

Susner, Michael A.; Conner, Benjamin S.; Saparov, Bayrammurad I.; ...

2016-10-27

Single crystals of (Nd 1-xCe x) 2Fe 14B are grown out of Fe-(Nd,Ce) flux. Chemical and structural analysis of the crystals indicate that (Nd 1-xCe x) 2Fe 14B forms a solid solution until at least x = 0.38 with a Vegard-like variation of the lattice constants with x. Refinements of single crystal neutron diffraction data indicate that Ce has a slight site preference (7:3) for the 4g rare earth site over the 4f site. Magnetization measurements at 300 K show only small decreases with increasing Ce content in saturation magnetization (M s) and anisotropy field (H A), and Curie temperaturemore » (T C). First principles calculations are carried out to understand the effect of Ce substitution on the electronic and magnetic properties. For a multitude of applications, it is expected that the advantage of incorporating lower-cost and more abundant Ce will outweigh the small adverse effects on magnetic properties. In conclusion, Ce-substituted Nd 2Fe 14B is therefore a potential high-performance permanent magnet material with substantially reduced Nd content.« less

Stacked charge stripes in the quasi-2D trilayer nickelate La 4 Ni 3 O 8

DOE PAGES

Zhang, Junjie; Chen, Yu-Sheng; Phelan, D.; ...

2016-07-26

The quasi-2D nickelate La 4Ni 3O 8 (La-438), consisting of trilayer networks of square planar Ni ions, is a member of the so-called T' family, which is derived from the Ruddlesden-Popper (R-P) parent compound La 4Ni 3O 10-x by removing two oxygen atoms and rearranging the rock salt layers to fluorite-type layers. Although previous studies on polycrystalline samples have identified a 105-K phase transition with a pronounced electronic and magnetic response but weak lattice character, no consensus on the origin of this transition has been reached. We show using synchrotron X-ray diffraction on high-pO(2) floating zone-grown single crystals that thismore » transition is associated with a real space ordering of charge into a quasi-2D charge stripe ground state. We found that the charge stripe superlattice propagation vector, q = (2/3, 0, 1), corresponds with that those in the related 1/3-hole doped single- layer R-P nickelate, La 5/3Sr 1/3NiO 4 (LSNO-1/3; Ni 2.33+), with orientation at 45 degrees to the Ni-O bonds. Furthermore, the charge stripes in La-438 are weakly correlated along c to form a staggered ABAB stacking that reduces the Coulomb repulsion among the stripes. Surprisingly, however, we find that the charge stripes within each trilayer of La-438 are stacked in phase from one layer to the next, at odds with any simple Coulomb repulsion argument.« less
Stacked charge stripes in the quasi-2D trilayer nickelate La 4 Ni 3 O 8

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

Zhang, Junjie; Chen, Yu-Sheng; Phelan, D.

The quasi-2D nickelate La 4Ni 3O 8 (La-438), consisting of trilayer networks of square planar Ni ions, is a member of the so-called T' family, which is derived from the Ruddlesden-Popper (R-P) parent compound La 4Ni 3O 10-x by removing two oxygen atoms and rearranging the rock salt layers to fluorite-type layers. Although previous studies on polycrystalline samples have identified a 105-K phase transition with a pronounced electronic and magnetic response but weak lattice character, no consensus on the origin of this transition has been reached. We show using synchrotron X-ray diffraction on high-pO(2) floating zone-grown single crystals that thismore » transition is associated with a real space ordering of charge into a quasi-2D charge stripe ground state. We found that the charge stripe superlattice propagation vector, q = (2/3, 0, 1), corresponds with that those in the related 1/3-hole doped single- layer R-P nickelate, La 5/3Sr 1/3NiO 4 (LSNO-1/3; Ni 2.33+), with orientation at 45 degrees to the Ni-O bonds. Furthermore, the charge stripes in La-438 are weakly correlated along c to form a staggered ABAB stacking that reduces the Coulomb repulsion among the stripes. Surprisingly, however, we find that the charge stripes within each trilayer of La-438 are stacked in phase from one layer to the next, at odds with any simple Coulomb repulsion argument.« less
Microwave-assisted synthesis and crystal structure of oxo(diperoxo)(4,4'-di-tert-butyl-2,2'-bipyridine)-molybdenum(VI).

PubMed

Amarante, Tatiana R; Almeida Paz, Filipe A; Gago, Sandra; Gonçalves, Isabel S; Pillinger, Martyn; Rodrigues, Alírio E; Abrantes, Marta

2009-09-16

The oxodiperoxo complex MoO(O2)(2)(tbbpy) (tbbpy = 4,4'-di-tert-butyl-2,2'- bipyridine) was isolated from the reaction of MoO2Cl(2)(tbbpy) in water under microwaveassisted heating at 120 masculineC for 4 h. The structure of the oxodiperoxo complex was determined by single crystal X-ray diffraction. The Mo(VI) centre is seven-coordinated with a geometry which strongly resembles a highly distorted bipyramid. Individual MoO(O2)(2)(tbbpy) complexes are interdigitated along the [010] direction to form a column. The crystal structure is formed by the close packing of the columnar-stacked complexes. Interactions between neighbouring columns are essentially of van der Waals type mediated by the need to effectively fill the available space.
Ultra-precision process of CaF2 single crystal

NASA Astrophysics Data System (ADS)

Yin, Guoju; Li, Shengyi; Xie, Xuhui; Zhou, Lin

2014-08-01

This paper proposes a new chemical mechanical polishing (CMP) process method for CaF2 single crystal to get ultraprecision surface. The CMP processes are improving polishing pad and using alkaline SiO2 polishing slurry with PH=8, PH=11 two phases to polish, respectively, and the roughness can be 0.181nm Rq (10μm×10μm). The CMP process can't get high surface figure, so we use ion beam figuring (IBF) technology to obtain high surface figure. However, IBF is difficult to improve the CaF2 surface roughness. We optimize IBF process to improve surface figure and keep good surface roughness too. Different IBF incident ion energy from 400ev to 800ev does not affect on the surface roughness obviously but the depth of material removal is reverse. CaF2 single crystal can get high precision surface figure (RMS=2.251nm) and still keep ultra-smooth surface (Rq=0.207nm) by IBF when removal depth is less than 200nm. The researches above provide important information for CaF2 single crystal to realize ultra-precision manufacture.
Growth of PBI 2 single crystals from stoichiometric and Pb excess melts

NASA Astrophysics Data System (ADS)

Hayashi, T.; Kinpara, M.; Wang, J. F.; Mimura, K.; Isshiki, M.

2008-01-01

We have successfully grown high-purity and -quality PbI 2 single crystals by the vertical Bridgman method. The rocking curves of four-crystal X-ray diffraction (XRD) show 120 arcsec in full-width at half-maximum (FWHM). The photoluminescence (PL) spectra at 7.8 K show the resolved intensive exciton emission line and the weak DAP emission band. The deep-level emissions are not observed. The measurement of the electrical and radiographic properties show that Leadiodide (PbI 2) single crystal has a resistivity of 5×10 10 Ω cm and imager lag is 8 s, respectively. In order to improve the controllability of crystal growth, PbI 2 single crystals were also grown from a lead (Pb) excess PbI 2 source. The experimental results show very good reproducibility. In addition, the growth models of crystal are proposed, and the growth mechanism is discussed.
Compositions of supersaturated solutions for enhanced growth of {alpha}-NiSO{sub 4} . 6H{sub 2}O, Me{sub 2}Ni(SO{sub 4}){sub 2} . 6H{sub 2}O, MeH{sub 2}PO{sub 4} [Me = Li, Na, K, Rb, Cs, NH{sub 4}], and K(H{sub x}D{sub 1-x}){sub 2}PO{sub 4} single crystals

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

Soboleva, L. V., E-mail: afkonst@ns.crys.ras.ru

2008-05-15

The possibility of determining the optimal compositions and temperatures of supersaturated solutions for enhanced growth of single crystals of congruently and incongruently dissolving solid phases from the solubility diagrams of ternary systems is shown, and this approach is justified. The NiSO{sub 4}-H{sub 2}SO{sub 4}-H{sub 2}O, Me{sub 2}SO{sub 4}-NiSO{sub 4}-H{sub 2}O, and Me{sub 2}O-P{sub 2}O{sub 5}-H{sub 2}O(D{sub 2}O) systems have been used to determine the optimal compositions and temperatures of supersaturated solutions for growth of {alpha}-NiSO{sub 4} . 6H{sub 2}O, Me{sub 2}Ni(SO{sub 4}){sub 2} . 6H{sub 2}O, MeH{sub 2}PO{sub 4} [Me = Li, Na, K, Rb, Cs, NH{sub 4}], and Kmore » (H{sub x} D{sub 1-x}){sub 2}PO{sub 4} (D is deuterium) single crystals.« less
Defect Engineering in SrI 2:Eu 2+ Single Crystal Scintillators

DOE PAGES

Wu, Yuntao; Boatner, Lynn A.; Lindsey, Adam C.; ...

2015-06-23

Eu 2+-activated strontium iodide is an excellent single crystal scintillator used for gamma-ray detection and significant effort is currently focused on the development of large-scale crystal growth techniques. A new approach of molten-salt pumping or so-called melt aging was recently applied to optimize the crystal quality and scintillation performance. Nevertheless, a detailed understanding of the underlying mechanism of this technique is still lacking. The main purpose of this paper is to conduct an in-depth study of the interplay between microstructure, trap centers and scintillation efficiency after melt aging treatment. Three SrI 2:2 mol% Eu2+ single crystals with 16 mm diametermore » were grown using the Bridgman method under identical growth conditions with the exception of the melt aging time (e.g. 0, 24 and 72 hours). Using energy-dispersive X-ray spectroscopy, it is found that the matrix composition of the finished crystal after melt aging treatment approaches the stoichiometric composition. The mechanism responsible for the formation of secondary phase inclusions in melt-aged SrI 2:Eu 2+ is discussed. Simultaneous improvement in light yield, energy resolution, scintillation decay-time and afterglow is achieved in melt-aged SrI 2:Eu 2+. The correlation between performance improvement and defect structure is addressed. The results of this paper lead to a better understanding of the effects of defect engineering in control and optimization of metal halide scintillators using the melt aging technique.« less
Crystal structure and electronic states of Co and Gd ions in a Gd0.4Sr0.6CoO2.85 single crystal

NASA Astrophysics Data System (ADS)

Platunov, M. S.; Dudnikov, V. A.; Orlov, Yu. S.; Kazak, N. V.; Solovyov, L. A.; Zubavichus, Ya. V.; Veligzhanin, A. A.; Dorovatovskii, P. V.; Vereshchagin, S. N.; Shaykhutdinov, K. A.; Ovchinnikov, S. G.

2016-02-01

X-ray diffraction and X-ray absorption near edge structure (XANES) spectra have been measured at the Co K-edge and Gd L 3-edge in GdCoO3 and Gd0.4Sr0.6CoO2.85 cobaltites. The effect of Sr substitution on the crystal structure and electronic and magnetic states of Co3+ ions in a Gd0.4Sr0.6CoO2.85 single crystal has been analyzed. The XANES measurements at the Co K-edge have not showed a noticeable shift of the absorption edge with an increase in the concentration of Sr. This indicates that the effective valence of cobalt does not change. An increase in the intensity of absorption at the Gd L 3-edge is due to an increase in the degree of hybridization of the Gd(5 d) and O(2 p) states. The effect of hole doping on the magnetic properties results in the appearance of the ferromagnetic component and in a significant increase in the magnetic moment.
Arrhenius Behavior of the Bulk Na-Ion Conductivity in Na3Sc2(PO4)3 Single Crystals Observed by Microcontact Impedance Spectroscopy.

PubMed

Rettenwander, Daniel; Redhammer, Günther J; Guin, Marie; Benisek, Artur; Krüger, Hannes; Guillon, Olivier; Wilkening, Martin; Tietz, Frank; Fleig, Jürgen

2018-03-13

NASICON-based solid electrolytes with exceptionally high Na-ion conductivities are considered to enable future all solid-state Na-ion battery technologies. Despite 40 years of research the interrelation between crystal structure and Na-ion conduction is still controversially discussed and far from being fully understood. In this study, microcontact impedance spectroscopy combined with single crystal X-ray diffraction, and differential scanning calorimetry is applied to tackle the question how bulk Na-ion conductivity σ bulk of sub-mm-sized flux grown Na 3 Sc 2 (PO 4 ) 3 (NSP) single crystals is influenced by supposed phase changes (α, β, and γ phase) discussed in literature. Although we found a smooth structural change at around 140 °C, which we assign to the β → γ phase transition, our conductivity data follow a single Arrhenius law from room temperature (RT) up to 220 °C. Obviously, the structural change, being mainly related to decreasing Na-ion ordering with increasing temperature, does not cause any jumps in Na-ion conductivity or any discontinuities in activation energies E a . Bulk ion dynamics in NSP have so far rarely been documented; here, under ambient conditions, σ bulk turned out to be as high as 3 × 10 -4 S cm -1 at RT ( E a, bulk = 0.39 eV) when directly measured with microcontacts for individual small single crystals.
Arrhenius Behavior of the Bulk Na-Ion Conductivity in Na3Sc2(PO4)3 Single Crystals Observed by Microcontact Impedance Spectroscopy

PubMed Central

2018-01-01

NASICON-based solid electrolytes with exceptionally high Na-ion conductivities are considered to enable future all solid-state Na-ion battery technologies. Despite 40 years of research the interrelation between crystal structure and Na-ion conduction is still controversially discussed and far from being fully understood. In this study, microcontact impedance spectroscopy combined with single crystal X-ray diffraction, and differential scanning calorimetry is applied to tackle the question how bulk Na-ion conductivity σbulk of sub-mm-sized flux grown Na3Sc2(PO4)3 (NSP) single crystals is influenced by supposed phase changes (α, β, and γ phase) discussed in literature. Although we found a smooth structural change at around 140 °C, which we assign to the β → γ phase transition, our conductivity data follow a single Arrhenius law from room temperature (RT) up to 220 °C. Obviously, the structural change, being mainly related to decreasing Na-ion ordering with increasing temperature, does not cause any jumps in Na-ion conductivity or any discontinuities in activation energies Ea. Bulk ion dynamics in NSP have so far rarely been documented; here, under ambient conditions, σbulk turned out to be as high as 3 × 10–4 S cm–1 at RT (Ea, bulk = 0.39 eV) when directly measured with microcontacts for individual small single crystals. PMID:29606799
Investigation on the growth and characterization of 4-aminobenzophenone single crystal by the vertical dynamic gradient freeze technique

NASA Astrophysics Data System (ADS)

Prabhakaran, SP.; Ramesh Babu, R.; Sukumar, M.; Bhagavannarayana, G.; Ramamurthi, K.

2014-03-01

Growth of bulk single crystal of 4-Aminobenzophenone (4-ABP) from the vertical dynamic gradient freeze (VDGF) setup designed with eight zone furnace was investigated. The experimental parameters for the growth of 4-ABP single crystal with respect to the design of VDGF setup are discussed. The eight zones were used to generate multiple temperature gradients over the furnace, and video imaging system helped to capture the real time growth and solid-liquid interface. 4-ABP single crystal with the size of 18 mm diameter and 40 mm length was grown from this investigation. Structural and optical quality of grown crystal was examined by high resolution X-ray diffraction and UV-visible spectral analysis, respectively and the blue emission was also confirmed from the photoluminescence spectrum. Microhardness number of the crystal was estimated at different loads using Vicker's microhardness tester. The size and quality of single crystal grown from the present investigation are compared with the vertical Bridgman grown 4-ABP.
Absorption of Dy3+ and Nd3+ ions in Ba R 2F8 single crystals

NASA Astrophysics Data System (ADS)

Apollonov, V. V.; Pushkar', A. A.; Uvarova, T. V.; Chernov, S. P.

2008-09-01

The Dy3+ absorption and excitation spectra of BaY2F8 and BaYb2F8 single crystals are investigated in the ultraviolet, vacuum ultraviolet, and visible ranges at a temperature of 300 K. These crystals exhibit intense broad absorption bands due to the spin-allowed 4 f-5 d transitions in the range (56-78) × 10-3 cm-1 and less intense absorption bands that correspond to the spin-forbidden transitions in the range (50-56) × 10-3 cm-1. The Nd3+ absorption spectra of BaY2F8 single crystals are studied in the range (34-82) × 10-3 cm-1 at 300 K for different crystal orientations.
2-Methylpyridinium/pyridinium 5-(2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olates as potent anticonvulsant agents—synthesis and crystal structure

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

Mangaiyarkarasi, G.; Kalaivani, D., E-mail: kalaivbalaj@yahoo.co.in

2013-12-15

The molecular salt, 2-methylpyridinium 5-(2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropy-rimidin-4-olate) (I), is prepared from the ethanolic solution of 1-chloro-2,4-dinitrobenzene, pyrimidine-2,4,6-(1H,3H,5H)-trione (barbituric acid) and 2-methylpyridine at room temperature, and the molecular salt, pyridinium 5-(2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate (II), is prepared from the same reactants, by dissolving them in hot DMSO and ethanol mixture at 70°C. The structures of I and II are characterized by visible, IR, {sup 1}H-NMR, {sup 13}C-NMR and elemental analysis and confirmed by single crystal X-ray analysis. Both the salts crystallize in triclinic crystal system with sp. gr. P-bar1. They possess noticeable anticonvulsant activity even at low concentration (25 mg/kg). Acute toxicity studies of these complexesmore » indicate that LD{sub 50} values are greater than 1500 mg/kg and the tested animals do not show any behavioural changes.« less
Thermal diffusivity of Bi 2Sr 2CaCu 2O 8 single crystals

NASA Astrophysics Data System (ADS)

Wu, X. D.; Fanton, J. G.; Kino, G. S.; Ryu, S.; Mitzi, D. B.; Kapitulnik, A.

1993-12-01

We have made direct measurements of the temperature dependence of the thermal diffusivity along all three axes of a single- crystal Bi 2Ca 2SrCu 2O 8 superconductor. We find that the thermal diffusivity is enhanced dramatically along the Cu-O planes below Tc. From our results, we estimate a 40% electronic contribution to the diffusivity along the Cu-O planes. At room temperature the total anisotropy in thermal diffusivity is 7:1, while the lattice contribution has only a 4.2:1 anisotropy.
Thermal Characterization, Crystal Field Analysis and In-Band Pumped Laser Performance of Er Doped NaY(WO4)2 Disordered Laser Crystals

PubMed Central

Serrano, María Dolores; Cascales, Concepción; Han, Xiumei; Zaldo, Carlos; Jezowski, Andrzej; Stachowiak, Piotr; Ter-Gabrielyan, Nikolay; Fromzel, Viktor; Dubinskii, Mark

2013-01-01

Undoped and Er-doped NaY(WO4)2 disordered single crystals have been grown by the Czochralski technique. The specific heat and thermal conductivity (κ) of these crystals have been characterized from T = 4 K to 700 K and 360 K, respectively. It is shown that κ exhibits anisotropy characteristic of single crystals as well as a κ(T) behavior observed in glasses, with a saturation mean free phonon path of 3.6 Å and 4.5 Å for propagation along a and c crystal axes, respectively. The relative energy positions and irreducible representations of Stark Er3+ levels up to 4G7/2 multiplet have been determined by the combination of experimental low (<10 K) temperature optical absorption and photoluminescence measurements and simulations with a single-electron Hamiltonian including both free-ion and crystal field interactions. Absorption, emission and gain cross sections of the 4I13/2↔4I15/2 laser related transition have been determined at 77 K. The 4I13/2 Er3+ lifetime (τ) was measured in the temperature range of 77–300 K, and was found to change from τ (77K) ≈ 4.5 ms to τ (300K) ≈ 3.5 ms. Laser operation is demonstrated at 77 K and 300 K by resonantly pumping the 4I13/2 multiplet at λ≈1500 nm with a broadband (FWHM≈20 nm) diode laser source perfectly matching the 77 K crystal 4I15/2 → 4I13/2 absorption profile. At 77 K as much as 5.5 W of output power were obtained in π-polarized configuration with a slope efficiency versus absorbed pump power of 57%, the free running laser wavelength in air was λ≈1611 nm with the laser output bandwidth of 3.5 nm. The laser emission was tunable over 30.7 nm, from 1590.7 nm to 1621.4 nm, for the same π-polarized configuration. PMID:23555664
The electric field gradient in natural iron-doped chrysoberyl Al2BeO4 and sinhalite MgAlBO4 single crystals

NASA Astrophysics Data System (ADS)

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

2011-12-01

This work reports on the evaluation of the electric field gradient (EFG) in natural chrysoberyl Al2BeO4 and sinhalite MgAlBO4 using two different procedures: (1) experimental, with single crystal Mössbauer spectroscopy (SCMBS) on the three principal sections of each sample and (2) a "fully quantitative" method with cluster molecular orbital calculations based on the density functional theory. Whereas the experimental and theoretical results for the EFG tensor are in quantitative agreement, the calculated isomer shifts and optical d-d-transitions exhibit systematic deviations from the measured values. These deviations indicate that the substitution of Al and Mg with iron should be accompanied by considerable local expansion of the coordination octahedra.
Effect of cationic substitution on the double-well hydrogen-bond potential in [K1-x(NH4)x]3H(SO4)2 proton conductors: a single-crystal neutron diffraction study.

PubMed

Choudhury, R R; Chitra, R; Selezneva, E V; Makarova, I P

2017-10-01

The structure of the mixed crystal [K 1-x (NH 4 ) x ] 3 H(SO 4 ) 2 as obtained from single-crystal neutron diffraction is compared with the previously reported room-temperature neutron structure of crystalline K 3 H(SO 4 ) 2 . The two structures are very similar, as indicated by the high value of their isostructurality index (94.8%). It was found that the replacement of even a small amount (3%) of K + with NH 4 + has a significant influence on the short strong hydrogen bond connecting the two SO 4 2- ions. Earlier optical measurements had revealed that the kinetics of the superionic transition in the solid solution [K 1-x (NH 4 ) x ] 3 H(SO 4 ) 2 are much faster than in K 3 H(SO 4 ) 2 ; this reported difference in the kinetics of the superionic phase transition in this class of crystal is explained on the basis of the difference in strength of the hydrogen-bond interactions in the two structures.
Crystal growth and electrical properties of CuFeO 2 single crystals

NASA Astrophysics Data System (ADS)

Dordor, P.; Chaminade, J. P.; Wichainchai, A.; Marquestaut, E.; Doumerc, J. P.; Pouchard, M.; Hagenmuller, P.; Ammar, A.

1988-07-01

Delafossite-type CuFeO 2 single crystals have been prepared by a flux method: crystals obtained in a Cu crucible with LiBO 2 as flux are n-type whereas those prepared in a Pt crucible with a Cu 2O flux are p-type. Electrical measurements have revealed that n-type crystals exhibit weak anisotropic conductivities with large activation energies and small mobilities (r.t. values perpendicular and parallel to the c-axis: μ⊥ = 5 × 10 -5 and μ‖ = 10 -7 cm -2 V -1 sec -1). p-type crystals, less anisotropic, are characterized by low activation energies and higher mobilities ( μ⊥ = 34 and μ‖ = 8.9 cm 2 V -1 sec -1). A two -conduction-band model is proposed to account for the difference observed between the energy gap value deduced from photoelectrochemical measurements and the activation energy of the electrical conductivity in the intrinsic domain.
Facile hydrothermal crystallization of NaLn(WO4)2 (Ln=La-Lu, and Y), phase/morphology evolution, and photoluminescence

NASA Astrophysics Data System (ADS)

Shi, Xiaofei; Li, Ji-Guang; Wang, Xuejiao; Zhu, Qi; Kim, Byung-Nam; Sun, Xudong

2017-12-01

Hydrothermal reaction of Ln nitrate and Na2WO4 at pH=8 and 200 °C for 24 hours, in the absence of any additive, has directly produced the scheelite-type sodium lanthanide tungstate of NaLn(WO4)2 for the larger Ln3+ of Ln=La-Dy (including Y, Group I) and an unknown compound that can be transformed into NaLn(WO4)2 by calcination at the low temperature of 600 °C for the smaller Ln3+ of Ln=Ho-Lu (Group II). With the successful synthesis of NaLn(WO4)2 for the full spectrum of Ln, the effects of lanthanide contraction on the structural features, crystal morphology, and IR responses of the compounds were clarified. The temperature- and time-course phase/morphology evolutions and the phase conversion upon calcination were thoroughly studied for the Group I and Group II compounds with Ln=La and Lu for example, respectively. Unknown intermediates were characterized by elemental analysis, IR absorption, thermogravimetry, and differential scanning calorimetry to better understand their chemical composition and coordination. The photoluminescence properties of NaEu(WO4)2 and NaTb(WO4)2, including excitation, emission, fluorescence decay, and quantum efficiency of luminescence, were also comparatively studied for the as-synthesized and calcination products.
Crystal growth, structural, optical, thermal, mechanical, laser damage threshold and electrical properties of triphenylphosphine oxide 4-nitrophenol (TP4N) single crystals for nonlinear optical applications

NASA Astrophysics Data System (ADS)

Karuppasamy, P.; Senthil Pandian, Muthu; Ramasamy, P.; Verma, Sunil

2018-05-01

The optically good quality single crystals of triphenylphosphine oxide 4-nitrophenol (TP4N) with maximum dimension of 15 × 10 × 5 mm3 were grown by slow evaporation solution technique (SEST) at room temperature. The cell dimensions of the grown TP4N crystal were confirmed by single crystal X-ray diffraction (SXRD) and the crystalline purity was confirmed and planes were indexed by powder X-ray diffraction (PXRD) analysis. Functional groups of TP4N crystal were confirmed by Fourier transform infrared (FTIR) spectral analysis. The optical transmittance of the grown crystal was determined by the UV-Vis NIR spectral analysis and it has good optical transparency in the entire visible region. The band tail (Urbach) energy of the grown crystal was analyzed and it appears to be minimum, which indicates that the TP4N has good crystallinity. The position of valence band (Ev) and conduction band (Ec) of the TP4N have been determined from the electron affinity energy (EA) and the ionization energy (EI) of its elements and using the optical band gap. The thermal behaviour of the grown crystal was investigated by thermogravimetric and differential thermal analysis (TG-DTA). Vickers microhardness analysis was carried out to identify the mechanical stability of the grown crystal and their indentation size effect (ISE) was explained by the Meyer's law (ML), Hays-Kendall's (HK) approach, proportional specimen resistance (PSR) model, modified PSR model (MPSR), elastic/plastic deformation (EPD) model and indentation induced cracking (IIC) model. Chemical etching study was carried out to find the etch pit density (EPD) of the grown crystal. Laser damage threshold (LDT) value was measured by using Nd:YAG laser (1064 nm). The dielectric permittivity (ε՛) and dielectric loss (tan δ) as a function of frequency was measured. The electronic polarizability (α) of the TP4N crystal was calculated. It is well matched to the value which was calculated from Clausius-Mossotti relation

Synthesis and structural characterization of bulk Sb2Te3 single crystal

NASA Astrophysics Data System (ADS)

Sultana, Rabia; Gahtori, Bhasker; Meena, R. S.; Awana, V. P. S.

2018-05-01

We report the growth and characterization of bulk Sb2Te3 single crystal synthesized by the self flux method via solid state reaction route from high temperature melt (850˚C) and slow cooling (2˚C/hour) of constituent elements. The single crystal X-ray diffraction pattern showed the 00l alignment and the high crystalline nature of the resultant sample. The rietveld fitted room temperature powder XRD revealed the phase purity and rhombohedral structure of the synthesized crystal. The formation and analysis of unit cell structure further verified the rhombohedral structure composed of three quintuple layers stacked one over the other. The SEM image showed the layered directional growth of the synthesized crystal carried out using the ZEISS-EVOMA-10 scanning electron microscope The electrical resistivity measurement was carried out using the conventional four-probe method on a quantum design Physical Property Measurement System (PPMS). The temperature dependent electrical resistivity plot for studied Sb2Te3 single crystal depicts metallic behaviour in the absence of any applied magnetic field. The synthesis as well as the structural characterization of as grown Sb2Te3 single crystal is reported and discussed in the present letter.
Superconducting gap of the single crystal β-PdBi2

NASA Astrophysics Data System (ADS)

Matsuzaki, H.; Nagai, K.; Kase, N.; Nakano, T.; Takeda, N.

2017-07-01

We investigate superconducting and normal properties of the single crystal of β-PdBi2. The electrical resistivity ρ(T) shows superconductivity at Tc = 5.0 K. Residual resistivity ratio (RRR) is estimated to be 2.9 obtained from ρ(300 K)/ρ(5.0 K). The H c2 curve obtained from ρ(T) in magnetic fields shows cleat enhancement from the Wertharmer-Helfand-Hohenberg theory in dirty limit. Specific heat C(T) measurement shows that clear jump is observed at T c = 4.8 K. T-dependence of the electronic specific heat C e(T) suggests full-gap symmetry with a single gap and strong coupling with ΔC e/γT c = 1.8.
Crystal-field energy level analysis for Nd(3+) ions at the low symmetry C(1) site in [Nd(hfa)(4)(H(2)O)](N(C(2)H(5))(4)) single crystals.

PubMed

Mech, Agnieszka; Gajek, Zbigniew; Karbowiak, Mirosław; Rudowicz, Czesław

2008-09-24

Optical absorption measurements of Nd(3+) ions in single crystals of [Nd(hfa)(4)(H(2)O)](N(C(2)H(5))(4)) (hfa = hexafluoroacetyloacetonate), denoted Nd(hfa) for short, have been carried out at 4.2 and 298 K. This compound crystallizes in the monoclinic system (space group P 2(1)/n). Each Nd ion is coordinated to eight oxygen atoms that originate from the hexafluoroacetylacetonate ligands and one oxygen atom from the water molecule. A total of 85 experimental crystal-field (CF) energy levels arising from the Nd(3+) (4f(3)) electronic configuration were identified in the optical spectra and assigned. A three-step CF analysis was carried out in terms of a parametric Hamiltonian for the actual C(1) symmetry at the Nd(3+) ion sites. In the first step, a total of 27 CF parameters (CFPs) in the Wybourne notation B(kq), admissible by group theory, were determined in a preliminary fitting constrained by the angular overlap model predictions. The resulting CFP set was reduced to 24 specific independent CFPs using appropriate standardization transformations. Optimizations of the second-rank CFPs and extended scanning of the parameter space were employed in the second step to improve reliability of the CFP sets, which is rather a difficult task in the case of no site symmetry. Finally, seven free-ion parameters and 24 CFPs were freely varied, yielding an rms deviation between the calculated energy levels and the 85 observed ones of 11.1 cm(-1). Our approach also allows prediction of the energy levels of Nd(3+) ions that are hidden in the spectral range overlapping with strong ligand absorption, which is essential for understanding the inter-ionic energy transfer. The orientation of the axis system associated with the fitted CF parameters w.r.t. the crystallographic axes is established. The procedure adopted in our calculations may be considered as a general framework for analysis of CF levels of lanthanide ions at low (triclinic) symmetry sites.
Accurate X-ray diffraction studies of KTiOPO{sub 4} single crystals doped with niobium

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

Novikova, N. E., E-mail: natnov@ns.crys.ras.ru; Sorokina, N. I.; Alekseeva, O. A.

2017-01-15

Single crystals of potassium titanyl phosphate doped with 4% of niobium (ÐšÐ¢Ð :4%Nb) and 6% of niobium (KTP:6%Nb) are studied by accurate X-ray diffraction at room temperature. The niobium atoms are localized near the Ti1 and Ti2 atomic positions, and their positions are for the first time refined independent of the titanium atomic positions. Maps of difference electron density in the vicinity of K1 and K2 atomic positions are analyzed. It is found that in the structure of crystal ÐšÐ¢Ð :4%Nb, additional positions of K atoms are located farther from the main positions and from each other than in ÐšÐ¢Ð and KTP:6%Nbmore » crystals. The nonuniform distribution of electron density found in the channels of the ÐšÐ¢Ð :4%Nb structure is responsible for ~20% increase in the signal of second harmonic generation.« less
Plasticity of Cl-Te-Cl Fragments. Synthesis, Single-Crystal X-ray, and NBO Study of (1-Thia-2-tellura-1-phenyl-4-chloro)cyclopentane 2,2,2-Trichloride.

PubMed

Sundberg, Markku R.; Laitalainen, Tarja; Bergman, Jan; Uggla, Rolf; Matikainen, Jorma; Kaltia, Seppo

1998-06-01

Tellurium tetrachloride and allylphenyl sulfide react to form (1-thia-2-tellura-1-phenyl-4-chloro)cyclopentane 2,2,2-trichloride. The crystal and molecular structure were determined by single-crystal X-ray techniques. The crystals belong to the monoclinic system, space group P2(1)/c (No. 14) with a = 6.020(3) Å, b = 11.46(1) Å, c = 20.156(2) Å, beta = 97.53(2) degrees, V = 1379(1) Å(3), and Z = 4. The structure was refined to the final R value of 0.036. The coordination around Te(IV) is distorted psi octahedral with three Cl atoms in the equatorial positions. The axial Te(1)-C(1) bond opposite to the lone pair of electrons at the Te(IV) atom completes the coordination polyhedron. The intramolecular Te-S distance is 2.903(3) Å. Symmetric and asymmetric deformation modes were established to describe the plasticity of the Cl-Te-Cl fragments extracted from the Cambridge Structural Database. The hypervalency of Te(IV) manifests itself as plasticity in the equatorial plane of the coordination sphere. The NBO calculations show that all of the equatorial Te-Cl bonds are highly polarized and the electrons reside mainly on the Cl atoms.
Postsynthetic Improvement of the Physical Properties in a Metal-Organic Framework through a Single Crystal to Single Crystal Transmetallation.

PubMed

Grancha, Thais; Ferrando-Soria, Jesús; Zhou, Hong-Cai; Gascon, Jorge; Seoane, Beatriz; Pasán, Jorge; Fabelo, Oscar; Julve, Miguel; Pardo, Emilio

2015-05-26

A single crystal to single crystal transmetallation process takes place in the three-dimensional (3D) metal-organic framework (MOF) of formula Mg(II) 2 {Mg(II) 4 [Cu(II) 2 (Me3 mpba)2 ]3 }⋅45 H2 O (1; Me3 mpba(4-) =N,N'-2,4,6-trimethyl-1,3-phenylenebis(oxamate)). After complete replacement of the Mg(II) ions within the coordination network and those hosted in the channels by either Co(II) or Ni(II) ions, 1 is transmetallated to yield two novel MOFs of formulae Co2 (II) {Co(II) 4 [Cu(II) 2 (Me3 mpba)2 ]3 }⋅56 H2 O (2) and Ni2 (II) {Ni(II) 4 [Cu(II) 2 (Me3 mpba)2 ]3 }⋅ 54 H2 O (3). This unique postsynthetic metal substitution affords materials with higher structural stability leading to enhanced gas sorption and magnetic properties. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Single-Crystal Structure of a Covalent Organic Framework

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

Zhang, YB; Su, J; Furukawa, H

2013-11-06

The crystal structure of a new covalent organic framework, termed COF-320, is determined by single-crystal 3D electron diffraction using the rotation electron diffraction (RED) method for data collection. The COF crystals are prepared by an imine condensation of tetra-(4-anilyl)methane and 4,4'-biphenyldialdehyde in 1,4-dioxane at 120 degrees C to produce a highly porous 9-fold interwoven diamond net. COF-320 exhibits permanent porosity with a Langmuir surface area of 2400 m(2)/g and a methane total uptake of 15.0 wt % (176 cm(3)/cm(3)) at 25 degrees C and 80 bar. The successful determination of the structure of COF-320 directly from single-crystal samples is anmore » important advance in the development of COF chemistry.« less
Morphology of growth of Bi2Sr2CaCu2O8 single crystals

NASA Astrophysics Data System (ADS)

Indenbom, M. V.; van der Beek, C. J.; Berseth, V.; Wolf, Th.; Berger, H.; Benoit, W.

1996-12-01

A good correlation of twins on the basal surface of flux-grown Bi2Sr2CaCu2Ox (BSCCO) single crystals with surface. growth steps is observed, the b-axis being perpendicular to the steps and, thus, parallel to the growth direction. It is found that mono-twin BSCCO single crystals produced by the travelling solvent floating zone method also grow preferentially along b, i.e. nearly perpendicularly to the boule axis, contrary to the common belief. This new understanding of the morphology of growth explains the nature of major defects in these crystals, which considerably change their measured superconducting properties, in a different way.
The single-crystal multinary compound Cu2ZnSnS4 as an environmentally friendly high-performance thermoelectric material

NASA Astrophysics Data System (ADS)

Nagaoka, Akira; Masuda, Taizo; Yasui, Shintaro; Taniyama, Tomoyasu; Nose, Yoshitaro

2018-05-01

We investigated the thermoelectric properties of high-quality p-type Cu2ZnSnS4 single crystals. This material showed two advantages: low thermal conductivity because of lattice scattering caused by the easily formed Cu/Zn disordered structure, and high conductivity because of high doping from changes to the composition. All samples showed a thermal conductivity of 3.0 W m‑1 K‑1 at 300 K, and the Cu-poor sample showed a conductivity of 7.5 S/cm at 300 K because of the high density of shallow-acceptor Cu vacancies. The figure of merit of the Cu-poor Cu2ZnSnS4 reached 0.2 at 400 K, which is 1.4–45 times higher than those of related compounds.
Highly efficient dual-wavelength mid-infrared CW Laser in diode end-pumped Er:SrF2 single crystals

PubMed Central

Ma, Weiwei; Qian, Xiaobo; Wang, Jingya; Liu, Jingjing; Fan, Xiuwei; Liu, Jie; Su, Liangbi; Xu, Jun

2016-01-01

The spectral properties and laser performance of Er:SrF2 single crystals were investigated and compared with Er:CaF2. Er:SrF2 crystals have larger absorption cross-sections at the pumping wavelength, larger mid-infrared stimulated emission cross-sections and much longer fluorescence lifetimes of the upper laser level (Er3+:4I11/2 level) than those of Er:CaF2 crystals. Dual-wavelength continuous-wave (CW) lasers around 2.8 μm were demonstrated in both 4at.% and 10at.% Er:SrF2 single crystals under 972 nm laser diode (LD) end pumping. The laser wavelengths are 2789.3 nm and 2791.8 nm in the former, and 2786.4 nm and 2790.7 nm in the latter, respectively. The best laser performance has been demonstrated in lightly doped 4at.% Er:SrF2 with a low threshold of 0.100 W, a high slope efficiency of 22.0%, an maximum output power of 0.483 W. PMID:27811994
Highly efficient dual-wavelength mid-infrared CW Laser in diode end-pumped Er:SrF2 single crystals.

PubMed

Ma, Weiwei; Qian, Xiaobo; Wang, Jingya; Liu, Jingjing; Fan, Xiuwei; Liu, Jie; Su, Liangbi; Xu, Jun

2016-11-04

The spectral properties and laser performance of Er:SrF 2 single crystals were investigated and compared with Er:CaF 2 . Er:SrF 2 crystals have larger absorption cross-sections at the pumping wavelength, larger mid-infrared stimulated emission cross-sections and much longer fluorescence lifetimes of the upper laser level (Er 3+ : 4 I 11/2 level) than those of Er:CaF 2 crystals. Dual-wavelength continuous-wave (CW) lasers around 2.8 μm were demonstrated in both 4at.% and 10at.% Er:SrF 2 single crystals under 972 nm laser diode (LD) end pumping. The laser wavelengths are 2789.3 nm and 2791.8 nm in the former, and 2786.4 nm and 2790.7 nm in the latter, respectively. The best laser performance has been demonstrated in lightly doped 4at.% Er:SrF 2 with a low threshold of 0.100 W, a high slope efficiency of 22.0%, an maximum output power of 0.483 W.
Highly efficient dual-wavelength mid-infrared CW Laser in diode end-pumped Er:SrF2 single crystals

NASA Astrophysics Data System (ADS)

Ma, Weiwei; Qian, Xiaobo; Wang, Jingya; Liu, Jingjing; Fan, Xiuwei; Liu, Jie; Su, Liangbi; Xu, Jun

2016-11-01

The spectral properties and laser performance of Er:SrF2 single crystals were investigated and compared with Er:CaF2. Er:SrF2 crystals have larger absorption cross-sections at the pumping wavelength, larger mid-infrared stimulated emission cross-sections and much longer fluorescence lifetimes of the upper laser level (Er3+:4I11/2 level) than those of Er:CaF2 crystals. Dual-wavelength continuous-wave (CW) lasers around 2.8 μm were demonstrated in both 4at.% and 10at.% Er:SrF2 single crystals under 972 nm laser diode (LD) end pumping. The laser wavelengths are 2789.3 nm and 2791.8 nm in the former, and 2786.4 nm and 2790.7 nm in the latter, respectively. The best laser performance has been demonstrated in lightly doped 4at.% Er:SrF2 with a low threshold of 0.100 W, a high slope efficiency of 22.0%, an maximum output power of 0.483 W.
Study of single crystals of metal solid solutions

NASA Technical Reports Server (NTRS)

Doty, J. P.; Reising, J. A.

1973-01-01

The growth of single crystals of relatively high melting point metals such as silver, copper, gold, and their alloys was investigated. The purpose was to develop background information necessary to support a space flight experiment and to generate ground based data for comparison. The ground based data, when compared to the data from space grown crystals, are intended to identify any effects which zero-gravity might have on the basic process of single crystal growth of these metals. The ultimate purposes of the complete investigation are to: (1) determine specific metals and alloys to be investigated; (2) grow single metal crystals in a terrestrial laboratory; (3) determine crystal characteristics, properties, and growth parameters that will be effected by zero-gravity; (4) evaluate terrestrially grown crystals; (5) grow single metal crystals in a space laboratory such as Skylab; (6) evaluate the space grown crystals; (7) compare for zero-gravity effects of crystal characteristics, properties, and parameters; and (8) make a recommendation as to production of these crystals as a routine space manufacturing proceses.
Epitaxial effects in thin films of high-Tc cuprates with the K2NiF4 structure

NASA Astrophysics Data System (ADS)

Naito, Michio; Sato, Hisashi; Tsukada, Akio; Yamamoto, Hideki

2018-03-01

La2-xSrxCuO4 (LSCO) and La2-xBaxCuO4 (LBCO) have been recognized as the archetype materials of "hole-doped" high-Tc superconductors. Their crystal structures are relatively simple with a small number of constituent cation elements. In addition, the doping level can be varied by the chemical substitution over a wide range enough to obtain the full spectrum of doping-dependent electronic and magnetic properties. These attractive features have dedicated many researchers to thin-film growth of LSCO and LBCO. The critical temperature (Tc) of LSCO and LBCO is sensitive to strain as manifested by a positive pressure coefficient of Tc in bulk samples. In general, films are strained if they are grown on lattice-mismatched substrates (epitaxial strain). Early attempts (before 1997) at the growth of LSCO and LBCO films resulted in depressed Tc below 30 K as they were grown on a commonly used SrTiO3 substrate (in-plane lattice parameter asub = 3.905 Å): the in-plane lattice parameters of LSCO and LBCO are ≤3.80 Å, and hence tensile epitaxial strain is introduced. The situation was changed by the use of LaSrAlO4 substrates with a slightly shorter in-plane lattice constant (asub = 3.756 Å). On LaSrAlO4 substrates, the Tc reaches 45 K in La1.85Sr0.15CuO4, 47 K in La1.85Ba0.15CuO4, and 56 K in ozone-oxidized La2CuO4+δ films, substantially higher than the Tc's of the bulk compounds. The Tc increase in La1.85Sr0.15CuO4 films on LaSrAlO4 and decrease on SrTiO3 are semi-quantitatively in accord with the phenomenological estimations based on the anisotropic strain coefficients of Tc (dTc/dεi). In this review article, we describe the growth and properties of films of cuprates having the K2NiF4 structure, mainly focusing on the increase/decrease of Tc by epitaxial strain and quasi-stable phase formation by epitaxial stabilization. We further extract the structural and/or physical parameters controlling Tc toward microscopic understanding of the variation of Tc by epitaxial strain.
Ferromagnetism in proton irradiated 4H-SiC single crystal

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

Zhou, Ren-Wei; Wang, Hua-Jie; Chen, Wei-Bin

Room-temperature ferromagnetism is observed in proton irradiated 4H-SiC single crystal. An initial increase in proton dose leads to pronounced ferromagnetism, accompanying with obvious increase in vacancy concentration. Further increase in irradiation dose lowers the saturation magnetization with the decrease in total vacancy defects due to the defects recombination. It is found that divacancies are the mainly defects in proton irradiated 4H-SiC and responsible for the observed ferromagnetism.
Synthesis, crystal structure, NLO and Hirshfeld surface analysis of 1,2,3-triazolyl chalcone single crystal

NASA Astrophysics Data System (ADS)

Shruthi, C.; Ravindrachary, V.; Guruswamy, B.; Lokanath, N. K.; Kumara, Karthik; Goveas, Janet

2018-05-01

Needle shaped brown coloured single crystal of the title compound was grown by slow evaporation technique using methanol as solvent. The grown crystal was characterized using FT-IR, Single crystal XRD, UV-visible and NLO studies. Crystal structure was confirmed by FT-IR study and the functional groups were identified. XRD study reveals that the crystal belongs to orthorhombic crystal system with pnaa space group and the corresponding cell parameters were calculated. UV-visible spectrum shows that the crystal is transparent in the entire visible region and absorption takes place in the UV-range. NLO efficiency of the crystal obtained 0.66 times that of urea was determined by SHG test. The intermolecular interaction and percentage contribution of each individual atom in the crystal lattice was quantized using Hirshfeld surface and 2D finger print analysis.
Crystal-field energy level analysis for Nd3+ ions at the low symmetry C1 site in [Nd(hfa)4(H2O)](N(C2H5)4) single crystals

NASA Astrophysics Data System (ADS)

Mech, Agnieszka; Gajek, Zbigniew; Karbowiak, Mirosław; Rudowicz, Czesław

2008-09-01

Optical absorption measurements of Nd3+ ions in single crystals of [Nd(hfa)4(H2O)](N(C2H5)4) (hfa = hexafluoroacetyloacetonate), denoted Nd(hfa) for short, have been carried out at 4.2 and 298 K. This compound crystallizes in the monoclinic system (space group P 21/n). Each Nd ion is coordinated to eight oxygen atoms that originate from the hexafluoroacetylacetonate ligands and one oxygen atom from the water molecule. A total of 85 experimental crystal-field (CF) energy levels arising from the Nd3+ (4f3) electronic configuration were identified in the optical spectra and assigned. A three-step CF analysis was carried out in terms of a parametric Hamiltonian for the actual C1 symmetry at the Nd3+ ion sites. In the first step, a total of 27 CF parameters (CFPs) in the Wybourne notation Bkq, admissible by group theory, were determined in a preliminary fitting constrained by the angular overlap model predictions. The resulting CFP set was reduced to 24 specific independent CFPs using appropriate standardization transformations. Optimizations of the second-rank CFPs and extended scanning of the parameter space were employed in the second step to improve reliability of the CFP sets, which is rather a difficult task in the case of no site symmetry. Finally, seven free-ion parameters and 24 CFPs were freely varied, yielding an rms deviation between the calculated energy levels and the 85 observed ones of 11.1 cm-1. Our approach also allows prediction of the energy levels of Nd3+ ions that are hidden in the spectral range overlapping with strong ligand absorption, which is essential for understanding the inter-ionic energy transfer. The orientation of the axis system associated with the fitted CF parameters w.r.t. the crystallographic axes is established. The procedure adopted in our calculations may be considered as a general framework for analysis of CF levels of lanthanide ions at low (triclinic) symmetry sites.
Inkjet printing of single-crystal films.

PubMed

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.
Na3Tb(PO4)2: Synthesis, crystal structure and greenish emitting properties

NASA Astrophysics Data System (ADS)

Zhao, Dan; Ma, Zhao; Liu, Bao-Zhong; Zhang, Rui-Juan; Wu, Zhi-Qiang; Wang, Jian; Duan, Pei-Gao

2018-03-01

A anhydrous orthoborate Na3Tb(PO4)2 has been prepared and its crystal structure was determined by X-Ray diffraction of a non-merohedral twinned single crystal. The results show that the compound crystallizes in monoclinic space group C2/c and the structure features a 3D framework containing PO4, NaO6, NaO7, NaO8 and TbO8 polyhedra. Under near-UV excitation (370 nm), Na3Tb(PO4)2 shows intense characteristic emission bands of Tb3+ (490 nm, 543 nm, 585 nm and 620 nm) with the CIE coordinate of (0.3062, 0.5901), corresponding to greenish color. The excitation spectrum covers a wide range from 340 nm to 390 nm, which indicates that phosphor Na3Tb(PO4)2 can be efficiently activated by near-UV LED ship.
SAW properties in quartz-like α-GeO2 single crystal

NASA Astrophysics Data System (ADS)

Taziev, R. M.

2018-05-01

The paper investigates numerically the properties of surface acoustic waves (SAW) in a new α-GeO2 single crystal of trigonal crystal symmetry (32). It is shown that the SAW has a maximum value of electromechanical coupling coefficient ≈0.14% on Z+120°, X –cut of a crystal with a zero power flow deflection angle. For the case of Z+140°X+25°-cut, the SAW electromechanical coupling coefficient equals 0.17 %, but the power flow deflection angle is not zero. Calculations are made of the frequency dependence of the conductance of SAW interdigital transducers (IDT), which electrode number equals 100 and wavelength is 20 microns on Z+120°,X –cut crystal. The excitations of bulk acoustic waves are absent in this cut case. Leaky acoustic wave, generated by IDT on Z+120°,X –cut of crystal, has a small electromechanical coupling coefficient, which is 4 times less than that for SAW.

Low-cost single-crystal turbine blades, volume 2

NASA Technical Reports Server (NTRS)

Strangman, T. E.; Dennis, R. E.; Heath, B. R.

1984-01-01

The overall objectives of Project 3 were to develop the exothermic casting process to produce uncooled single-crystal (SC) HP turbine blades in MAR-M 247 and higher strength derivative alloys and to validate the materials process and components through extensive mechanical property testing, rig testing, and 200 hours of endurance engine testing. These Program objectives were achieved. The exothermic casting process was successfully developed into a low-cost nonproperietary method for producing single-crystal castings. Single-crystal MAR-M 247 and two derivatives DS alloys developed during this project, NASAIR 100 and SC Alloy 3, were fully characterized through mechanical property testing. SC MAR-M 247 shows no significant improvement in strength over directionally solidified (DS) MAR-M 247, but the derivative alloys, NASAIR 100 and Alloy 3, show significant tensile and fatigue improvements. Firtree testing, holography, and strain-gauge rig testing were used to determine the effects of the anisotropic characteristics of single-crystal materials. No undesirable characteristics were found. In general, the single-crystal material behaved similarly to DS MAR-M 247. Two complete engine sets of SC HP turbine blades were cast using the exothermic casting process and fully machined. These blades were successfully engine-tested.
Dependences of the density of M 1- x R x F2 + x and R 1- y M y F3- y single crystals ( M = Ca, Sr, Ba, Cd, Pb; R means rare earth elements) on composition

NASA Astrophysics Data System (ADS)

Sorokin, N. I.; Krivandina, E. A.; Zhmurova, Z. I.

2013-11-01

The density of single crystals of nonstoichiometric phases Ba1 - x La x F2 + x (0 ≤ x ≤ 0.5) and Sr0.8La0.2 - x Lu x F2.2 (0 ≤ x ≤ 0.2) with the fluorite (CaF2) structure type and R 1 - y Sr y F3 - y ( R = Pr, Nd; 0 ≤ y ≤ 0.15) with the tysonite (LaF3) structure type has been measured. Single crystals were grown from a melt by the Bridgman method. The measured concentration dependences of single crystal density are linear. The interstitial and vacancy models of defect formation in the fluorite and tysonite phases, respectively, are confirmed. To implement the composition control of single crystals of superionic conductors M 1 - x R x F2 + x and R 1 - y M y F3 - y in practice, calibration graphs of X-ray density in the MF2- RF3 systems ( M = Ca, Sr, Ba, Cd, Pb; R = La-Lu, Y) are plotted.
Correlated oxygen displacements and phonon mode changes in LaCoO3 single crystal

NASA Astrophysics Data System (ADS)

Sikolenko, V. V.; Molodtsov, S. L.; Izquierdo, M.; Troyanchuk, I. O.; Karpinsky, D.; Tiutiunnikov, S. I.; Efimova, E.; Prabhakaran, D.; Novoselov, D.; Efimov, V.

2018-05-01

X-ray diffraction and inelastic X-ray scattering studies have been performed across the spin ( 100 K) and semiconductor-metal ( 500 K) transitions in LaCoO3 single crystals. The quadratic increase with temperature of the oxygen displacement parameters parallel and perpendicular to the Co-O bond has been correlated with softening of the TO2 and hardening of the TO1 phonon branches along the [0 ξ ξ] high symmetry direction. The latter effect can be associated with the weakening of the Co-O bond strength derived from the increase of Co-O bond length and angle as expected upon increasing the high spin state population of the system with temperature.
Phase transition studied by 7Li nuclear magnetic resonance in LiXSO4 (X = K, Rb, Cs and NH4) single crystals

NASA Astrophysics Data System (ADS)

Lim, Ae Ran; Choh, Sung Ho; Jeong, Se-Young

2000-11-01

The temperature dependences of 7Li nuclear magnetic resonance in LiXSO4 (X = K, Rb, Cs, and NH4) single crystals grown by the slow evaporation method have been investigated by employing a Bruker FT NMR spectrometer. From the experimental data, the nuclear quadrupole constant, the asymmetry parameter and the principal axes of the EFG tensor were determined, and the results were compared with the crystal structure. The temperature dependences of the quadrupole parameters were explained with a single torsional mode of the Li-O bond by the Bayer theory. All the LiO4 tetrahedra in four different crystals showed torsional motion about the X-axis of the EFG tensor. Based on these results, the differences in atomic weight of X in the LiXSO4 single crystals are responsible for the differences in the torsional angular frequencies.
Ionothermal synthesis, crystal structure, and magnetic study of Co2PO4OH isostructural with caminite.

PubMed

Wang, Guangmei; Valldor, Martin; Spielberg, Eike T; Mudring, Anja-Verena

2014-03-17

A new framework cobalt(II) hydroxyl phosphate, Co2PO4OH, was prepared by ionothermal synthesis using 1-butyl-4-methyl-pyridinium hexafluorophosphate as the ionic liquid. As the formation of Co2PO4F competes in the synthesis, the synthesis conditions have to be judiciously chosen to obtain well-crystallized, single phase Co2PO4OH. Single-crystal X-ray diffraction analyses reveal Co2PO4OH crystallizes with space group I41/amd (a = b = 5.2713(7) Å, c = 12.907(3) Å, V = 358.63(10) Å(3), and Z = 4). Astonishingly, it does not crystallize isotypically with Co2PO4F but rather isotypically with the hydroxyl minerals caminite Mg1.33[SO4(OH)0.66(H2O)0.33] and lipscombite Fe(2–y)PO4(OH) (0 ≤ y ≤ 2/3). Phosphate tetrahedra groups interconnect four rod-packed face-sharing ∞(1){CoO(6/2)} octahedra chains to form a three-dimensional framework structure. The compound Co2PO4OH was further characterized by powder X-ray diffraction, Fourier transform–infrared, and ultraviolet–visible spectroscopy, confirming the discussed structure. The magnetic measurement reveals that Co2PO4OH undergoes a magnetic transition and presents at low temperatures a canted antiferromagnetic spin order in the ground state.
Bridgman growth and scintillation properties of calcium tungstate single crystal

NASA Astrophysics Data System (ADS)

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

2017-12-01

CaWO4 single crystal with large size was grown by Bridgman method. The results of transmission spectra show that the transmittance of CaWO4 crystal reaches 79-85% in 320-800 nm wavelength range. The refraction index is near 1.80 in visible and infrared region. CaWO4 crystal shows a broad emission band centered at 424 nm under X-ray excitation and centered at 416 nm under ultraviolet (λex = 280 nm) excitation. The decay kinetics of CaWO4 single crystal shows double-exponential decay with fast decay constant τ1 = 5.4 μs and slow decay constant τ2 = 177.1 μs. The energy resolution of CaWO4 crystal was found to be 31.6% in the net peak of 545.9 channel. Meanwhile, the absolute output is at the lever of 19,000 ± 1000 photons/MeV. The results indicate the scintillator of CaWO4 single crystal has great potential in the applications of high-energy physics and nuclear physics due to its high light output and great energy resolution.
Single crystal growth and physical properties of the new ternary compound Eu2Mg4Si3

NASA Astrophysics Data System (ADS)

Numakura, Ryosuke; Iizuka, Ryosuke; Michimura, Shinji; Katano, Susumu; Kosaka, Masashi

2018-05-01

We have studied the magnetic and electrical properties of new ternary europium magnesium silicide Eu2Mg4Si3. The single crystalline Eu2Mg4Si3 has been prepared by the Mg self-flux method. The compound crystalizes in the hexagonal Hf2Co4P3-type structure with space group P 6 bar 2 m with unit cell parameters a = 14.78 (3) Å and c = 4.434 (6) Å . Magnetic, electrical, and thermal properties indicate that the system undergoes two successive phase transitions, occurring at TN1 = 9.6 K and TN2 = 8.4 K . The estimated effective magnetic moment is close to the moment of free Eu2+ ion. The electrical resistivity data ρ (T) for Eu2Mg4Si3 show a metallic-like behavior from room temperature down to about 100 K. However, the ρ (T) data exhibit a notable upturn below 80 K and a maximum around TN1 and then suddenly decrease with decreasing temperature. These features are strongly suppressed by applying magnetic fields and a metallic temperature dependence eventually exhibits over the whole temperature range in a magnetic field of 30 kOe. Such behavior is observed in some magnetoresistive compounds.
Single-Crystal Elastic Constants of Yttria (Y2O3) Measured to High Temperatures

NASA Technical Reports Server (NTRS)

Sayir, Ali; Palko, James W.; Kriven, Waltraud M.; Sinogeikin, Sergey V.; Bass, Jay D.

2001-01-01

Yttria, or yttrium sesquioxide (Y2O3), has been considered for use in nuclear applications and has gained interest relatively recently for use in infrared optics. Single crystals of yttria have been grown successfully at the NASA Glenn Research Center using a laser-heated float zone technique in a fiber and rod. Such samples allow measurement of the single-crystal elastic properties, and these measurements provide useful property data for the design of components using single crystals. They also yield information as to what degree the elastic properties of yttria ceramics are a result of the intrinsic properties of the yttria crystal in comparison to characteristics that may depend on processing, such as microstructure and intergranular phases, which are common in sintered yttria. The single-crystal elastic moduli are valuable for designing such optical components. In particular, the temperature derivatives of elastic moduli allow the dimensional changes due to heating under physical constraints, as well as acoustic excitation, to be determined. The single-crystal elastic moduli of yttria were measured by Brillouin spectroscopy up to 1200 C. The room-temperature values obtained were C(sub 11) = 223.6 + 0.6 GPa, C(sub 44) = 74.6 + 0.5 GPa, and C(sub 12) = 112.4 + 1.0 GPa. The resulting bulk and (Voigt-Reuss-Hill) shear moduli were K = 149.5 + 1.0 GPa and G(sub VRH) = 66.3 + 0.8 GPa, respectively. Linear least-squares regressions to the variation of bulk and shear moduli with temperature resulted in derivatives of dK/dT = -17 + 2 MPa/C and dG(sub VRH)/dT = -8 + 2 MPa/ C. Elastic anisotropy was found to remain essentially constant over the temperature range studied.
Phase equilibria in the La–Mg–Ge system at 500 °C and crystal structure of the new ternary compounds La{sub 11}Mg{sub 2}Ge{sub 7} and LaMg{sub 3−x}Ge{sub 2}

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

De Negri, S., E-mail: serena.denegri@unige.it; Solokha, P.; Skrobańska, M.

2014-10-15

The whole 500 °C isothermal section of the La–Mg–Ge ternary system was constructed. The existence and crystal structure of three ternary compounds were confirmed: La{sub 2+x}Mg{sub 1−x}Ge{sub 2} (τ{sub 2}, P4/mbm, tP10–Mo{sub 2}FeB{sub 2}, 0≤x≤0.25), La{sub 4}Mg{sub 5}Ge{sub 6} (τ{sub 3}, Cmc2{sub 1}, oS60–Gd{sub 4}Zn{sub 5}Ge{sub 6}) and La{sub 4}Mg{sub 7}Ge{sub 6} (τ{sub 4}, C2/m, mS34, own structure type). Five novel compounds were identified and structurally characterized: La{sub 11}Mg{sub 2}Ge{sub 7} (τ{sub 1}, P4{sub 2}/ncm, tP88-8, own structure type, a=1.21338(5), c=1.57802(6) nm), LaMg{sub 3−x}Ge{sub 2} (τ{sub 5}, P3{sup ¯}1c, hP34-0.44, own structure type, x=0.407(5), a=0.78408(4), c=1.45257(7) nm), La{sub 6}Mg{sub 23}Gemore » (τ{sub 6}, Fm3{sup ¯}m, cF120–Zr{sub 6}Zn{sub 23}Si, a=1.46694(6) nm), La{sub 4}MgGe{sub 10−x} (τ{sub 7}, x=0.37(1), C2/m, mS60-1.46, own structure type, a=0.88403(8), b=0.86756(8), c=1.7709(2) nm, β=97.16°(1) and La{sub 2}MgGe{sub 6} (τ{sub 8}, Cmce, oS72–Ce{sub 2}(Ga{sub 0.1}Ge{sub 0.9}){sub 7}, a=0.8989(2), b=0.8517(2), c=2.1064(3) nm). Disordering phenomena were revealed in several La–Mg–Ge phases in terms of partially occupied sites. The crystal structures of La{sub 11}Mg{sub 2}Ge{sub 7} and LaMg{sub 3−x}Ge{sub 2} are discussed in details. The latter is a √3a×√3a×2c superstructure of the LaLi{sub 3}Sb{sub 2} structure type; the symmetry reduction scheme is shown in the Bärnighausen formalism terms. - Graphical abstract: La–Mg–Ge isothermal section at 500 °C and group–subgroup relation between the LaLi{sub 3}Sb{sub 2} (parent type) and LaMg{sub 3−x}Ge{sub 2} (derivative) structures. - Highlights: • Novel La−Mg−Ge compounds structure determination from X-ray single crystal data. • Disordering phenomena as common features of the studied germanides. • Bärnighausen formalism as a useful tool for accurate structure determination. • Full isothermal section of the
Crystal Growth and Scintillation Properties of Eu2+ doped Cs4CaI6 and Cs4SrI6

NASA Astrophysics Data System (ADS)

Stand, L.; Zhuravleva, M.; Chakoumakos, B.; Johnson, J.; Loyd, M.; Wu, Y.; Koschan, M.; Melcher, C. L.

2018-03-01

In this work we present the crystal growth and scintillation properties of two new ternarymetal halide scintillators activated with divalent europium, Cs4CaI6 and Cs4SrI6. Single crystals of each compound were grown in evacuated quartz ampoules via the vertical Bridgman technique using a two-zone transparent furnace. Single crystal X-ray diffraction experiments showed that both crystals have a trigonal (R-3c) structure, with a density of 3.99 g/cm3 and 4.03 g/cm3. The radioluminescence and photoluminescence measurements showed typical luminescence properties due to the 5d-4f radiative transitions in Eu2+. At this early stage of development Cs4SrI6:Eu and Cs4CaI6:Eu have shown very promising scintillation properties, with light yields and energy resolutions of 62,300 ph/MeV and 3.3%, and 51,800 photons/MeV and 3.6% at 662 keV, respectively.
Magnetic field, frequency and temperature dependence of complex conductance of ultrathin La 1.65Sr 0.45CuO 4/La 2CuO 4 films and the organic superconductors κ-(BEDT-TTF) 2Cu[N(CN) 2]Br

DOE PAGES

V. A. Gasparov; Bozovic, I.; He, Xi; ...

2015-09-01

In this study, we used atomic-layer molecular beam epitaxy (ALL-MBE) to synthesize bilayer films of a cuprate metal (La 1.65Sr 0.45CuO 4) and a cuprate insulator (La 2CuO 4), in which interface superconductivity occurs in a layer that is just one-half unit cell thick. We have studied the magnetic field and temperature dependence of the complex sheet conductance, σ(ω), of these films, and compared them to κκ-(BEDT-TTF) 2Cu[N(CN) 2]Br single crystals. The magnetic field H was applied both parallel and perpendicular to the 2D conducting layers. Experiments have been carried out at frequencies between 23 kHz and 50 MHz usingmore » either two-coil mutual inductance technique, or the LC resonators with spiral or rectangular coils. The real and the imaginary parts of the mutual-inductance M(T,ω) between the coil and the sample were measured and converted to complex conductivity. For H perpendicular to the conducting layers, we observed almost identical behavior in both films and κ-Br single crystals: (i) the transition onset in the inductive response, L k –1(T) occurs at a temperature lower by 2 K than in Re σ(T), (ii) this shift is almost constant with magnetic field up to 8 T; (iii) the vortex diffusion constant D(T) is exponential due to pinning of vortex cores. These results can be described by the extended dynamic theory of the Berezinski–Kosterlitz–Thouless (BKT) transition and dynamics of bound vortex–antivortex pairs with short separation lengths.« less
Polarized Neutron Studies on Antiferromagnetic Single Crystals: Technical Report No. 4

DOE R&D Accomplishments Database

Nathans, R.; Riste, T.; Shirane, G.; Shull, C.G.

1958-11-26

The theory of neutron scattering by magnetic crystals as given by Halpern and Johnson predicts changes in the polarization state of the neutron beam upon scattering which depend upon the relative orientation of the neutron polarization vector and the crystal magnetic axis. This was investigated experimentally with a polarized beam spectrometer using single crystals of Cr{sub 2}O{sub 3} and alpha - Fe{sub 2}O{sub 3} in which reside unique antiferromagnetic axes. Studies were made on several different reflections in both crystals for a number of different temperatures both below and above the Neel point. Results support the theoretical predictions and indicate directions for the moments in these crystals consistent with previous work. A more detailed study of the polarization changes in the (111) reflection in alpha - Fe{sub 2}O{sub 3} at room temperature on application of a magnetic field was carried out, The results indicate that the principal source of the parasitic ferromagnetism in hematite is essentially independent of the orientation of the antiferromagnetic domains within the crystal.
Synthesis, crystal structure, and magnetic properties of two-dimensional divalent metal glutarate/dipyridylamine coordination polymers, with a single crystal-to-single crystal transformation in the copper derivative

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

Montney, Matthew R.; Supkowski, Ronald M.; Staples, Richard J.

Hydrothermal reaction of divalent metal chlorides with glutaric acid and 4,4'-dipyridylamine (dpa) has afforded an isostructural family of coordination polymers with formulation [M(glu)(dpa)]{sub n} (M=Co (1), Ni (2), Cu (3); glu=glutarate). Square pyramidal coordination is seen in 1-3, with semi-ligation of a sixth donor to produce a '5+1' extended coordination sphere. Neighboring metal atoms are linked into 1D [M(glu)]{sub n} neutral chains through chelating/monodentate bridging glutarate moieties with a syn-anti binding mode, and semi-chelation of the pendant carboxylate oxygen. These chains further connect into 2D layers through dipodal dpa ligands. Neighboring layers stack into the pseudo 3D crystal structure ofmore » 1-3 through supramolecular hydrogen bonding between dpa amine units and the semi-chelated glutarate oxygen atoms. The variable temperature magnetic behavior of 1-3 was explored and modeled as infinite 1D Heisenberg chains. Notably, complex 3 undergoes a thermally induced single crystal-to-single crystal transformation between centric and acentric space groups, with a conformationally disordered unilayer structure at 293 K and an ordered bilayer structure at 173 K. All materials were further characterized via infrared spectroscopy and elemental and thermogravimetric analyses. - Graphical abstract: The coordination polymers [M(glu)(dpa)]{sub n} (M=Co (1), Ni (2), Cu (3); glu=glutarate, dpa=4,4'-dipyridylamine) exhibit 2D layer structures based on 1D [M(glu)]{sub n} chains linked through dpa tethers. Antiferromagnetic coupling is observed for 2 and 3, while ferromagnetism is predominant in 1. Compound 3 undergoes a thermally induced single crystal-to-single crystal transformation from an acentric to a centrosymmetric space group.« less
Crystal structures of carbonates up to Mbar pressures determined by single crystal synchrotron radiation diffraction

NASA Astrophysics Data System (ADS)

Merlini, M.

2013-12-01

The recent improvements at synchrotron beamlines, currently allow single crystal diffraction experiments at extreme pressures and temperatures [1,2] on very small single crystal domains. We successfully applied such technique to determine the crystal structure adopted by carbonates at mantle pressures. The knowledge of carbon-bearing phases is in fact fundamental for any quantitative modelling of global carbon cycle. The major technical difficulty arises after first order transitions or decomposition reactions, since original crystal (apx. 10x10x5 μm3) is transformed in much smaller crystalline domains often with random orientation. The use of 3D reciprocal space visualization software and the improved resolution of new generation flat panel detectors, however, allow both identification and integration of each single crystal domain, with suitable accuracy for ab-initio structure solution, performed with direct and charge-flipping methods and successive structure refinements. The results obtained on carbonates, indicate two major crystal-chemistry trends established at high pressures. The CO32- units, planar and parallel in ambient pressure calcite and dolomite structures, becomes non parallel in calcite- and dolomite-II and III phases, allowing more flexibility in the structures with possibility to accommodate strain arising from different cation sizes (Ca and Mg in particular). Dolomite-III is therefore also observed to be thermodynamically stable at lower mantle pressures and temperatures, differently from dolomite, which undergoes decomposition into pure end-members in upper mantle. At higher pressure, towards Mbar (lowermost mantle and D'' region) in agreement with theoretical calculations [3,4] and other experimental results [5], carbon coordination transform into 4-fold CO4 units, with different polymerisation in the structure depending on carbonate composition. The second important crystal chemistry feature detected is related to Fe2+ in Fe
Growth of single crystals, thermal dependency of lattice parameters and Raman scattering in the Nd 2- xCe xCuO 4- δ system

NASA Astrophysics Data System (ADS)

Sadowski, W.; Hagemann, H.; François, M.; Bill, H.; Peter, M.; Walker, E.; Yvon, K.

1990-09-01

We report on the growth of Nd 2- xCe xCuO 4- δ single crystals (0< x<0.2) from Cu 2O flux. Free separated crystals with maximum size of 5x8x0.15 nm 3 have been obtained. Magnetic AC susceptibility measurements show a sharp superconducting transition at temperatures up to 23 K. The temperature dependence of the lattice parameters has been measured by means of X-ray powder diffraction between 10 K ( a=3.9413(3) Å, c=12.0290(18) Å) and 290 K ( a=3.9482(3) Å, c=12.0590(18) Å). Room temperature Raman spectra reveal a new band at 320 cm -1 which is not observed in Nd 2CuO 4. Raman spectra of crystals with Tc ranging from 7 to 22 K show a systematic intensity change of the broad band at 590 cm -1.
La 139 and Cu 63 NMR investigation of charge order in La 2 CuO 4 + y ( T c = 42 K)

DOE PAGES

Imai, T.; Lee, Y. S.

2018-03-14

Here, we report 139La and 63Cu NMR investigation of the successive charge order, spin order, and superconducting transitions in superoxygenated La 2CuO 4+y single crystal with stage-4 excess oxygen order at T stage≃290 K. We show that the stage-4 order induces tilting of CuO 6 octahedra below T stage, which in turn causes 139La NMR line broadening. The structural distortion continues to develop far below Tstage, and completes at T charge≃60 K, where charge order sets in. This sequence is reminiscent of the the charge-order transition in Nd codoped La 1.88Sr 0.12CuO 4 that sets in once the low-temperature tetragonalmore » phase is established. We also show that the paramagnetic 63Cu NMR signals are progressively wiped out below T charge due to enhanced low-frequency spin fluctuations in charge-ordered domains, but the residual 63Cu NMR signals continue to exhibit the characteristics expected for optimally doped superconducting CuO 2 planes. This indicates that charge order in La 2CuO 4+y does not take place uniformly in space. In addition, unlike the typical second-order magnetic phase transitions, low-frequency Cu spin fluctuations as probed by 139La nuclear spin-lattice relaxation rate do not exhibit critical divergence at T spin(≃T c) =42 K. These findings, including the spatially inhomogeneous nature of the charge-ordered state, are qualitatively similar to the case of La 1.885Sr 0.115CuO 4, but both charge and spin order take place more sharply in the present case.« less
La 139 and Cu 63 NMR investigation of charge order in La 2 CuO 4 + y ( T c = 42 K)

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

Imai, T.; Lee, Y. S.

Here, we report 139La and 63Cu NMR investigation of the successive charge order, spin order, and superconducting transitions in superoxygenated La 2CuO 4+y single crystal with stage-4 excess oxygen order at T stage≃290 K. We show that the stage-4 order induces tilting of CuO 6 octahedra below T stage, which in turn causes 139La NMR line broadening. The structural distortion continues to develop far below Tstage, and completes at T charge≃60 K, where charge order sets in. This sequence is reminiscent of the the charge-order transition in Nd codoped La 1.88Sr 0.12CuO 4 that sets in once the low-temperature tetragonalmore » phase is established. We also show that the paramagnetic 63Cu NMR signals are progressively wiped out below T charge due to enhanced low-frequency spin fluctuations in charge-ordered domains, but the residual 63Cu NMR signals continue to exhibit the characteristics expected for optimally doped superconducting CuO 2 planes. This indicates that charge order in La 2CuO 4+y does not take place uniformly in space. In addition, unlike the typical second-order magnetic phase transitions, low-frequency Cu spin fluctuations as probed by 139La nuclear spin-lattice relaxation rate do not exhibit critical divergence at T spin(≃T c) =42 K. These findings, including the spatially inhomogeneous nature of the charge-ordered state, are qualitatively similar to the case of La 1.885Sr 0.115CuO 4, but both charge and spin order take place more sharply in the present case.« less
139La and 63Cu NMR investigation of charge order in La2CuO4 +y (Tc=42 K)

NASA Astrophysics Data System (ADS)

Imai, T.; Lee, Y. S.

2018-03-01

We report 139La and 63Cu NMR investigation of the successive charge order, spin order, and superconducting transitions in superoxygenated La2CuO4 +y single crystal with stage-4 excess oxygen order at Tstage≃290 K. We show that the stage-4 order induces tilting of CuO6 octahedra below Tstage, which in turn causes 139La NMR line broadening. The structural distortion continues to develop far below Tstage, and completes at Tcharge≃60 K, where charge order sets in. This sequence is reminiscent of the the charge-order transition in Nd codoped La1.88Sr0.12CuO4 that sets in once the low-temperature tetragonal phase is established. We also show that the paramagnetic 63Cu NMR signals are progressively wiped out below Tcharge due to enhanced low-frequency spin fluctuations in charge-ordered domains, but the residual 63Cu NMR signals continue to exhibit the characteristics expected for optimally doped superconducting CuO2 planes. This indicates that charge order in La2CuO4 +y does not take place uniformly in space. In addition, unlike the typical second-order magnetic phase transitions, low-frequency Cu spin fluctuations as probed by 139La nuclear spin-lattice relaxation rate do not exhibit critical divergence at Tspin(≃Tc ) =42 K. These findings, including the spatially inhomogeneous nature of the charge-ordered state, are qualitatively similar to the case of La1.885Sr0.115CuO4 [Imai et al., Phys. Rev. B 96, 224508 (2017), 10.1103/PhysRevB.96.224508 and Arsenault et al., Phys. Rev. B 97, 064511 (2018), 10.1103/PhysRevB.97.064511], but both charge and spin order take place more sharply in the present case.
Spectroscopic and quantum chemical perspectives on 2-amino 5-methylpyridinium 4-nitrobenzoate - An organic single crystals for optoelectronics device applications

NASA Astrophysics Data System (ADS)

Gandhimathi, A.; Karunakaran, R. T.; Kumaran, A. Elakkina; Prabahar, S.

2018-07-01

In this work, an optical quality single crystals of 2-amino 5-methylpyridinium 4-nitrobenzoate (2A5MPNB) were grown by slow evaporation solution growth technique using methanol as a solvent. The phases and functional groups of 2A5MPNB have been confirmed through powder X-ray diffraction and Fourier transform infrared (FTIR) studies, respectively. The optical transmittance window and the lower cut-off wavelength of the 2A5MPNB have been identified by UV-Vis-NIR studies. Dielectric and photoconductivity studies were also performed for the grown crystals. In order to analyze the mechanical strength Vickers hardness studies were taken for the grown crystal. The thermal behaviour was investigated by TG/DTA studies. NLO and laser damage properties were explored using Nd:YAG laser. Moreover, the quantum chemical calculations on 2A5MPNB have been performed by density functional theory (DFT) calculations using the B3LYP method with 6-311++G(d,p) basis set. The predicted first hyperpolarizability is found to be 14.45 times greater than that of urea and suggests that the title compound could be an attractive material for nonlinear optical applications.
Synthesis, Crystal Structure, and Physical Properties of New Layered Oxychalcogenide La2O2Bi3AgS6

NASA Astrophysics Data System (ADS)

Hijikata, Yudai; Abe, Tomohiro; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Goto, Yosuke; Miura, Akira; Tadanaga, Kiyoharu; Wang, Yongming; Miura, Osuke; Mizuguchi, Yoshikazu

2017-12-01

We have synthesized a new layered oxychalcogenide La2O2Bi3AgS6. From synchrotron X-ray diffraction and Rietveld refinement, the crystal structure of La2O2Bi3AgS6 was refined using a model of the P4/nmm space group with a = 4.0644(1) Å and c = 19.412(1) Å, which is similar to the related compound LaOBiPbS3, while the interlayer bonds (M2-S1 bonds) are apparently shorter in La2O2Bi3AgS6. The tunneling electron microscopy (TEM) image confirmed the lattice constant derived from Rietveld refinement (c ˜ 20 Å). The electrical resistivity and Seebeck coefficient suggested that the electronic states of La2O2Bi3AgS6 are more metallic than those of LaOBiS2 and LaOBiPbS3. The insertion of a rock-salt-type chalcogenide into the van der Waals gap of BiS2-based layered compounds, such as LaOBiS2, will be a useful strategy for designing new layered functional materials in the layered chalcogenide family.

KH2PO4 single crystals activated with the Ti4+ ions in the form of TiO2-x × nH2O nanoparticles: Structural peculiarities, point defects, and dielectric properties

NASA Astrophysics Data System (ADS)

Kuz'micheva, Galina M.; Timaeva, Olesya I.; Kaurova, Irina A.; Svetogorov, Roman D.; Mühlbauer, Martin J.

2018-03-01

Potassium dihydrogen phosphate KH2PO4 (KDP) single crystals activated with Ti4+ ions in the form of TiO2-x × nH2O nanoparticles in the η-phase, synthesized by the sulfate method using TiOSO4 × xH2SO4 × yH2O, have been first grown by the temperature lowering method and cut from pyramidal (P) and prismatic (Pr) growth sectors. The first-performed neutron powder diffraction investigation of P and Pr samples cut from the KDP:Ti4+ crystal allowed us to reveal vacancies in the K and H sites for both samples, their number being larger in the Pr structure compared to the P one. Taking into account the deficiency of the K and H sites, full occupation of the O site, presence of Ti4+ ions in the structure, and the electroneutrality condition, a partial substitution of (PO4)3- anion by the (SO4)2- one, larger for the Pr sample, was observed. The real compositions of P and Pr samples, correlated with the cation-anion internuclear distances, were refined. The dielectric permittivity of the Pr sample was significantly lower than that of the P one; it decreases with decreasing K-O, P-O, and O...H distances and increasing deficiency of the K and H sites.
Bulk growth of <001> organic nonlinear optical (NLO) L-arginine 4-nitrophenolate 4-nitrophenol dihydrate (LAPP) single crystals by SR method

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

Pandian, Muthu Senthil, E-mail: senthilpandianm@ssn.edu.in; Sivasubramani, V.; Ramasamy, P.

2015-06-24

A transparent uniaxial L-arginine 4-nitrophenolate 4-nitrophenol dehydrate (LAPP) single crystal having dimension of 20 mm diameter and 45 mm length was grown by Sankaranarayanan-Ramasamy (SR) method with a growth rate of 1 mm per day. Using an identical solution the conventional crystal grown to a dimension of 8×5×5 mm{sup 3} was obtained over a period of 30 days. The crystal structure has been confirmed by single crystal X-ray diffraction measurement. The crystalline perfection of LAPP crystals grown by slow evaporation solution technique (SEST) and SR method were characterized using Vickers microhardness, UV-Vis NIR, chemical etching, dark and photo current measurements. The above study indicatesmore » that the crystal quality of the Sankaranarayanan-Ramasamy (SR) method grown LAPP is good compared to the conventional method grown crystal.« less
Transverse anisotropic magnetoresistance effects in pseudo-single-crystal γ'-Fe4N thin films

NASA Astrophysics Data System (ADS)

Kabara, Kazuki; Tsunoda, Masakiyo; Kokado, Satoshi

2016-05-01

Transverse anisotropic magnetoresistance (AMR) effects, for which magnetization is rotated in an orthogonal plane to the current direction, were investigated at various temperatures, in order to clarify the structural transformation from a cubic to a tetragonal symmetry in a pseudo-single-crystal Fe4N film, which is predicted from the usual in-plane AMR measurements by the theory taking into account the spin-orbit interaction and crystal field splitting of 3d bands. According to a phenomenological theory of AMR, which derives only from the crystal symmetry, a cos 2θ component ( C2 tr ) exists in transverse AMR curves for a tetragonal system but does not for a cubic system. In the Fe4N film, the C2 tr shows a positive small value (0.12%) from 300 K to 50 K. However, the C2 t r increases to negative value below 50 K and reaches to -2% at 5 K. The drastic increasing of the C2 tr demonstrates the structural transformation from a cubic to a tetragonal symmetry below 50 K in the Fe4N film. In addition, the out-of-plane and in-plane lattice constants (c and a) were precisely determined with X-ray diffraction at room temperature using the Nelson-Riely function. As a result, the positive small C2 t r above 50 K is attributed to a slightly distorted Fe4N lattice (c/a = 1.002).
Structural and optical properties of WTe2 single crystals synthesized by DVT technique

NASA Astrophysics Data System (ADS)

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.
Electro-optic modulation at 1.4 GHz using single-crystal film of DAST

NASA Astrophysics Data System (ADS)

Ahyi, Ayayi; Titus, Jitto; Thakur, Mrinal

2002-03-01

Electro-optic modulation at 4 kHz using single-crystal film of DAST has been recently reported.^1 The measurement was made in the transverse configuration with the light beam propagating perpendicular to the film while electric field was applied in the plane of the film - along the dipole axis. In this presentation, we will discuss results of electro-optic modulation in DAST single-crystal films at significantly higher speed (0.1 - 1.4 GHz). Single-crystal films of DAST with excellent optical quality were prepared by modified shear method. The electro-optic modulation was measured using the technique of field-induced birefringence and the signal was recorded by a spectrum analyzer. Light (λ = 750 nm) propagated perpendicular to the film (thickness ~ 3 μm). We have observed excellent signal-to-noise ratio at these high frequencies, along with a low insertion loss. The voltage we applied is only ~ 1 volt across a gap of 15 μm and the observed signal-to-noise ratio is comparable to that of guided-wave electro-optic modulators. 1. M. Thakur, J. Xu, A. Bhowmik and M. Thakur, Appl. Phys. Lett., 74 635
Crucibleless crystal growth and Radioluminescence study of calcium tungstate single crystal fiber

NASA Astrophysics Data System (ADS)

Silva, M. S.; Jesus, L. M.; Barbosa, L. B.; Ardila, D. R.; Andreeta, J. P.; Silva, R. S.

2014-11-01

In this article, single phase and high optical quality scheelite calcium tungstate single crystal fibers were grown by using the crucibleless laser heated pedestal growth technique. The as-synthesized calcium tungstate powders used for shaping seed and feed rods were investigated by X-ray diffraction technique. As-grown crystals were studied by Raman spectroscopy and Radioluminescence measurements. The results indicate that in both two cases, calcined powder and single crystal fiber, only the expected scheelite CaWO4 phase was observed. It was verified large homogeneity in the crystal composition, without the presence of secondary phases. The Radioluminescence spectra of the as-grown single crystal fibers are in agreement with that present in Literature for bulk single crystals, presented a single emission band centered at 420 nm when irradiated with β-rays.
The EPR study of Mn(2+) ion doped DADT single crystal produced under high pressure and temperature.

PubMed

Ceylan, Ümit; Tapramaz, Recep

2016-01-05

An EPR study on Cu(2+) and VO(2+) doped di ammonium d-tartrate single crystals has been reported in previous papers, but the same host did not accept Mn(2+) ion at the same reaction conditions in previous trials. In this study EPR study of Mn(2+) ion doped di ammonium d tartrate single crystal, (DADT) [(NH4)2C4H4O6], produced in a reactor under high pressure and high temperature. The electronic transitions were determined by the optical absorption spectrum. Hyperfine splitting and g values of the Mn(2+) ion forming a complex in the lattice were measured from experimental spectra and spin-spin dipolar splitting parameters D and E were found by the spectrum simulation techniques. Copyright © 2015 Elsevier B.V. All rights reserved.
Water mediated synthesis, spectral and structural studies of ethyl 6-amino-4-aryl-5-cyano-2-propyl-4H-pyran-3-carboxylates: Single crystal X-ray structure of ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-propyl-4H-pyran-3-carboxylate

NASA Astrophysics Data System (ADS)

Udhaya Kumar, C.; Sethukumar, A.; Agilandeshwari, R.; Arul Prakasam, B.; Vidhyasagar, T.; Sillanpää, Mika

2014-02-01

An efficient and multifunctional three component synthetic protocol was developed to synthesize ethyl 6-amino-4-aryl-5-cyano-2-propyl-4H-pyran-3-carboxylates from ethyl 3-oxohexanoate, malononitrile and corresponding aldehydes (1a-11a) using K2CO3 as a catalyst under water solvent in good yields. The derived compounds have been analyzed by IR and NMR (1D and 2D) spectra. Single crystal X-ray structural analysis of 2a, evidences the flattened-boat conformation of pyran ring and the phenyl group is nearly perpendicular to the pyran ring.
Snynthesis and magnetization of BaLn2O4 (Ln = lanthanide)

NASA Astrophysics Data System (ADS)

Lundberg, Matthew

The BaLn2O4 family has been synthesized successfully as single crystals by the flux-growth method. The phases crystallize in the CaV2O4 structure prototype in space group Pnma (# 62). The structure has been studied using single-crystal x-ray diffraction, and stoichiometry confirmed with EDS, and the unit cell parameters and atomic positions have been determined for the whole lanthanide series (with the exception of the Lu compound). The effects of the lanthanide ionic radius on the atomic positions in the unit cell has been studied in terms of fractional atomic coordinates, bond lengths and angles, and bond valence sums. Magnetic measurements have been performed on the series with the exception of the La, Eu, and Lu members in the form of susceptibility versus temperature. The crystals all show signs of geometric antiferromagnetic frustration with the Neel temperatures significantly below the temperature predicted by the Weiss constant. Additionally some members of the family, namely BaCe2O4, BaNd2O4, BaPr 2O4, BaSm2O4, BaTb2O 4, and BaYb2O4 show significant crystal field splitting, that causes deviation from Currie-Weiss behavior.
Rietveld refinement, electronic structure and ionic conductivity of Sr{sub 4}La{sub 6}(SiO{sub 4}){sub 6}F{sub 2} and Sr{sub 4}La{sub 6}(SiO{sub 4}){sub 6}O ceramics

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

Boughzala, Khaled, E-mail: khaledboughzala@gmail.com; Preparatory Institute for Engineering Studies, 5000 Monastir; Debbichi, Mourad

In this paper, we report the effect of the tunnel anions on the ionic conductivity of Strontium-Lanthanum silicate apatites. The Sr{sub 4}La{sub 6}(SiO{sub 4}){sub 6}F{sub 2} and Sr{sub 4}La{sub 6}(SiO{sub 4}){sub 6}O ceramics were prepared by the solid state reaction method. X-ray diffraction, NMR spectroscopy and Raman measurements were performed to investigate the crystal structure and vibrational active modes. Moreover, the electronic structures of the crystals were evaluated by the first-principles quantum mechanical calculation based on the density functional theory. Finally, the ionic conductivity was studied according to the complex impedance method. - Graphical abstract: The relaxed primitive unit cellmore » for Sr{sub 4}La{sub 6}Fap. Display Omitted.« less
Low Leakage Superconducting Tunnel Junctions with a Single Crystal Al2O3 Barrier

DTIC Science & Technology

2016-03-30

have recently implemented Josephson junction superconducting devices into qubits [1-6]. Before a multi -qubit quantum computer is realized, however...Low-Leakage Superconducting Tunnel Junctions with a Single-Crystal Al2O3 Barrier* S Oh1,2, K Cicak1, R McDermott3, K B Cooper3, K D Osborn1, R W...growth scheme for single-crystal Al2O3 tunnel barriers. The barriers are epitaxially grown on single-crystal rhenium (Re) base electrodes that are
Centrosymmetry vs noncentrosymmetry in La{sub 2}Ga{sub 0.33}SbS{sub 5} and Ce{sub 4}GaSbS{sub 9} based on the interesting size effects of lanthanides: Syntheses, crystal structures, and optical properties

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

Zhao, Hua-Jun, E-mail: cszzl772002@yeah.net; State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002

Two new quaternary sulfides La{sub 2}Ga{sub 0.33}SbS{sub 5} and Ce{sub 4}GaSbS{sub 9} have been prepared from stoichiometric elements at 1223 K in an evacuated silica tube. Interestingly, La{sub 2}Ga{sub 0.33}SbS{sub 5} crystallizes in the centrosymmetric structure, while Ce{sub 4}GaSbS{sub 9} crystallizes in the noncentrosymmetric structure, which show obvious size effects of lanthanides on the crystal structures of these two compounds. Ce{sub 4}GaSbS{sub 9} belongs to RE{sub 4}GaSbS{sub 9} (RE=Pr, Nd, Sm, Gd–Ho) structure type with a=13.8834(9) Å, b=14.3004(11) Å, c=14.4102(13) Å, V=2861.0(4) Å{sup 3}. The structure features infinite chains of [Ga{sub 2}Sb{sub 2}S{sub 11}{sup 10–}]{sub ∞} propagating along a directionmore » separated by Ce{sup 3+} cations and S{sup 2−} anions. La{sub 2}Ga{sub 0.33}SbS{sub 5} adopts the family of La{sub 4}FeSb{sub 2}S{sub 10}-related structure with a=7.5193(6) Å, c=13.4126(17) Å, V=758.35(13) Å{sup 3}. Its structure is built up from the alternate stacking of La/Sb/S and La/Ga/S 2D building blocks. The La/Sb/S slabs consist of teeter-totter chains of Sb1S{sub 4} seesaws, which are connected via sharing the apexes of μ{sub 4}-S1. Moreover, La1 is positionally disordered with Sb1 and stabilized in a bicapped trigonal prismatic coordination sphere. Between these La/Sb/S slabs, La2S{sub 8} square antiprisms are connected via edge-sharing into 2D building blocks, creating tetrahedral sites partially occupied by the Ga1 atoms. UV/Vis diffuse reflectance spectroscopy study shows that the optical gap of La{sub 2}Ga{sub 0.33}SbS{sub 5} is about 1.76 eV. - Graphical abstract: Two new quaternary sulfides La{sub 2}Ga{sub 0.33}SbS{sub 5} and Ce{sub 4}GaSbS{sub 9} have been prepared by solid-state reactions. Ce{sub 4}GaSbS{sub 9} crystallizes in RE{sub 4}GaSbS{sub 9} (RE=Pr, Nd, Sm, Gd–Ho) structure type, while La{sub 2}Ga{sub 0.33}SbS{sub 5} belongs to the family of La{sub 4}FeSb{sub 2}S{sub 10}-related structure and
A Layered Solution Crystal Growth Technique and the Crystal Structure of (C 6H 5C 2H 4NH 3) 2PbCl 4

NASA Astrophysics Data System (ADS)

Mitzi, D. B.

1999-07-01

Single crystals of the organic-inorganic perovskite (C6H5C2H4NH3)2PbCl4 have been grown at room temperature using a layered solution approach. The bottom solution layer, contained within a long straight tube, consists of PbCl2 dissolved in concentrated aqueous HCl. A less dense layer of methanol is carefully placed on top of the HCl/PbCl2 solution using a syringe. Finally, a stoichiometric quantity of C6H5C2H4NH2 (relative to the PbCl2) is added to the top of the column. As the layers slowly diffuse together, well-formed crystals of (C6H5C2H4NH3)2PbCl4 appear near the interface between the HCl/PbCl2 and C6H5C2H4NH2 solutions. The thick, plate-like crystals are well suited for X-ray crystallography studies. Room temperature intensity data were refined using a triclinic (Poverline1) cell (a=11.1463(3) Å, b=11.2181(3) Å, c=17.6966(5) Å, α= 99.173(1)°, β=104.634(1)°, γ=89.999(1)°, V=2111.8(1) Å3, Z=4, Rf/Rw=0.031/0.044). The organic-inorganic layered perovskite structure features well-ordered sheets of corner-sharing distorted PbCl6 octahedra separated by bilayers of phenethylammonium cations. Tilting and rotation of the PbCl6 octahedra within the perovskite sheets, coupled with organic cation ordering, leads to the unusual in-sheet 2ap×2ap superstructure, where ap is the lattice constant for the ideal cubic perovskite.
Disordered Nd:LuYSiO5 crystal lasers operating on the 4F3/2 → 4I11/2 and 4F3/2 → 4I13/2 transitions

NASA Astrophysics Data System (ADS)

Guan, Xiaofeng; Zhou, Zhiyong; Huang, Xiaoxu; Xu, Bin; Xu, Huiying; Cai, Zhiping; Xu, Xiaodong; Xu, Jun

2017-11-01

We report on diode-pumped disordered Nd:LuYSiO5 (Nd:LYSO) crystal lasers operating on the 4F3/2 → 4I11/2 and 4F3/2 → 4I 13/2 transitions. Simultaneous laser operation at 1074 and 1078 nm is achieved with maximum output power of 4.46 W and slope efficiency of 39.6%. Single wavelength laser at 1358 nm with maximum output power of 1.15 W and slope efficiency of 11.8% is also obtained. Moreover, four single-wavelength lasers at 1058, 1107, 1330 and 1386 nm with relatively low gains are achieved with maximum output powers of 2.72, 1.22, 0.52 and 0.42 W, respectively, for the first time to our knowledge. Lasing at non-traditional emission lines was obtained by using output couplers with dielectric coatings for specific wavelength ranges.
Thermoelectric properties of Bi 2Sr 2Co 2O y thin films and single crystals

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

Diao, Zhenyu; Lee, Ho Nyung; Chisholm, Matthew F.

Bi 2Sr 2Co 2O 9 exhibits a misfit-layered structure with good thermoelectric properties. We have investigated the thermoelectric properties of Bi 2Sr 2Co 2O y in both thin-film and single-crystal forms. Among thin films grown at different temperatures, we find that both the in-plane thermoelectric power (Sab) and electrical resistivity (ρab) vary in an opposite trend, i.e., Sab is high when ρab is small. This results in large power factor (S ab 2/ρab~5.5 μW/K 2 cm for the film grown at 700 °C), comparable to that for whiskers. For single crystals, the electrical resistivity shows metallic behavior in a largemore » temperature range, but has higher magnitude than that of films grown at 675 °C and 700 °C. The annealing of single crystals under Ar atmosphere leads to even higher resistivity while S ab is improved. Lastly, we discuss the thermoelectric performance of this material considering both oxygen concentration and phase purity.« less
Thermoelectric properties of Bi 2Sr 2Co 2O y thin films and single crystals

DOE PAGES

Diao, Zhenyu; Lee, Ho Nyung; Chisholm, Matthew F.; ...

2017-02-02

Bi 2Sr 2Co 2O 9 exhibits a misfit-layered structure with good thermoelectric properties. We have investigated the thermoelectric properties of Bi 2Sr 2Co 2O y in both thin-film and single-crystal forms. Among thin films grown at different temperatures, we find that both the in-plane thermoelectric power (Sab) and electrical resistivity (ρab) vary in an opposite trend, i.e., Sab is high when ρab is small. This results in large power factor (S ab 2/ρab~5.5 μW/K 2 cm for the film grown at 700 °C), comparable to that for whiskers. For single crystals, the electrical resistivity shows metallic behavior in a largemore » temperature range, but has higher magnitude than that of films grown at 675 °C and 700 °C. The annealing of single crystals under Ar atmosphere leads to even higher resistivity while S ab is improved. Lastly, we discuss the thermoelectric performance of this material considering both oxygen concentration and phase purity.« less
Single crystal growth and characterization of kagomé-lattice shandites Co3Sn2-xInxS2

NASA Astrophysics Data System (ADS)

Kassem, Mohamed A.; Tabata, Yoshikazu; Waki, Takeshi; Nakamura, Hiroyuki

2015-09-01

Single crystals of the shandite-type half metallic ferromagnet Co3Sn2S2, and its In-substituted compounds, Co3Sn2-xInxS2 (02) were grown by a flux method. We report optimum conditions to synthesize large crystals. Single crystals of the two end members, Co3Sn2S2 and Co3In2S2, and solid solutions with low In concentrations (x≤0.35) were grown out of Sn and In self flux. Solid solution single crystals with higher In concentrations were grown out of Sn, In and Pb mixture flux. Grown crystals were characterized using the powder x-ray diffraction, wavelength-dispersive x-ray spectroscopy and magnetization measurements. The shandite structure with R3¯m symmetry was confirmed and crystal structure parameters of the obtained plate-shaped hexagonal crystals were refined using the Rietveld analysis. Magnetization measurements show suppression of the ferromagnetic ordering, observed in Co3Sn2S2, by In-substitution as reported for polycrystalline samples. The obtained crystals are useful to study anisotropy in magnetic and transport properties and further interesting magnetotransport properties of the layered compounds.
Insulating and metallic spin glass in Ni-doped K x Fe 2 - y Se 2 single crystals

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

Ryu, Hyejin; Abeykoon, Milinda; Wang, Kefeng

2015-05-01

Here in this paper, we report electron doping effects by Ni in K xFe 2- δ-y Ni ySe 2 (0.06 ≤ y ≤ 1.44) single-crystal alloys. A rich ground-state phase diagram is observed. A small amount of Ni (~4 %) suppressed superconductivity below 1.8 K, inducing insulating spin-glass magnetic ground state for higher Ni content. With further Ni substitution, metallic resistivity is restored. For high Ni concentration in the lattice the unit cell symmetry is high symmetry I4/mmm with no phase separation whereas both I4 / m + I4/mmm space groups were detected in the phase separated crystals when concentrationmore » of Ni< Fe. The absence of superconductivity coincides with the absence of crystalline Fe vacancy order.« less
Crystal growth by Bridgman and Czochralski method of the ferromagnetic quantum critical material YbNi4P2

NASA Astrophysics Data System (ADS)

Kliemt, K.; Krellner, C.

2016-09-01

The tetragonal YbNi4P2 is one of the rare examples of compounds that allow the investigation of a ferromagnetic quantum critical point. We report in detail on two different methods which have been used to grow YbNi4P2 single crystals from a self-flux. The first, a modified Bridgman method, using a closed crucible system yields needle-shaped single crystals oriented along the [001]-direction. The second method, the Czochralski growth from a levitating melt, yields large single crystals which can be cut in any desired orientation. With this crucible-free method, samples without flux inclusions and a resistivity ratio at 1.8 K of RR1.8K = 17 have been grown.
CCl 4 chemistry on the magnetite selvedge of single-crystal hematite: competitive surface reactions

NASA Astrophysics Data System (ADS)

Adib, K.; Camillone, N., III; Fitts, J. P.; Rim, K. T.; Flynn, G. W.; Joyce, S. A.; Osgood, R. M., Jr.

2002-01-01

Temperature programmed reaction/desorption (TPR/D) studies were undertaken to characterize the surface chemistry which occurs between CCl 4 and the Fe 3O 4 (1 1 1) selvedge of single crystal α-Fe 2O 3 (0 0 0 1). Six separate desorption events are clearly observed and four desorbing species are identified: CCl 4, OCCl 2, C 2Cl 4 and FeCl 2. It is proposed that OCCl 2, CCl 4 and C 2Cl 4 are produced in reactions involving the same precursor, CCl 2. Three reaction paths compete for the CCl 2 precursor: oxygen atom abstraction (for OCCl 2), molecular recombinative desorption (for CCl 4) and associative desorption (for C 2Cl 4). During the TPR/D temperature ramp, the branching ratio is observed to depend upon temperature and the availability of reactive sites. The data are consistent with a rich site-dependent chemistry.

Scintillation properties of a 2-inch diameter KCa0.8Sr0.2I3:Eu2+ single crystal

NASA Astrophysics Data System (ADS)

Wu, Yuntao; Lindsey, Adam C.; Loyd, Matthew; Stand, Luis; Zhuravleva, Mariya; Koschan, Merry; Melcher, Charles L.

2017-09-01

Inch-sized scintillating crystals are required for practical radiation detectors such as hand-held radio-isotope identification devices. In this work, a transparent and colorless 2-inch diameter KCa0.8Sr0.2I3: 0 . 5 mo% Eu2+ single crystal was grown by the vertical Bridgman method, and the scintillation properties of a ∅ 50 mm × 45 mm long sample were evaluated. The Eu2+ 5d1- 4 f emission under X-ray excitation is centered at 472 nm. Its scintillation decay time under 137 Cs source irradiation is 2 . 37 μs, and the absolute light output is 51,000 ± 3000 photons/MeV. The energy resolution at 662 keV was evaluated for different orientations of the crystals with respect to the PMT, and the effect of 40 K background subtraction on energy resolution was evaluated. The performance of the packaged crystal was also investigated.
Floating zone growth of α-Na 0.90MnO 2 single crystals

DOE PAGES

Dally, Rebecca; Clement, Raphaele J.; Chisnell, Robin; ...

2016-12-03

Here, single crystal growth of α-Na xMnO 2 (x=0.90) is reported via the floating zone technique. The conditions required for stable growth and intergrowth-free crystals are described along with the results of trials under alternate growth atmospheres. Chemical and structural characterizations of the resulting α-Na 0.90MnO 2 crystals are performed using ICP-AES NMR, XANES, XPS, and neutron diffraction measurements. As a layered transition metal oxide with large ionic mobility and strong correlation effects, α-Na xMnO 2 is of interest to many communities, and the implications of large volume, high purity, single crystal growth are discussed.
Spin-State Transition in La1-xSrxCoO3 Single Crystals

NASA Astrophysics Data System (ADS)

Bhardwaj, S.; Prabhakaran, D.; Awasthi, A. M.

2011-07-01

We present a study of the thermal conductivity (κ), specific heat (Cp) and Raman spectra of La1-xSrxCoO3 (x = 0,0.1) single crystals. Both the specimens have low thermal conductivity and board Raman peaks, arising from strong scattering of phonons by lattice disorder, produced by (and doping-enhanced) spin-states admixture of the Co3+ ions. The thermal conductivity anomalously deviates from ˜1/T behaviour at high (room) temperatures, expected of an insulator. High-temperature specific heat reveals large decrease in the metal-insulator (M-I) transition temperature with Sr-doping.
Crystal structure of 1-methyl-3-([2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-ylidene]methyl)urea

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

Habibi, A., E-mail: habibi@khu.ac.ir; Ghorbani, H. S.; Bruno, G.

2013-12-15

The crystal structure of 1-Methyl-3-([2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-ylidene]methyl)urea (C{sub 9}H{sub 12}N{sub 2}O{sub 5}) has been determined by single crystal X-ray diffraction analysis. The crystals are monoclinic, a = 5.3179(2), b = 18.6394(6), c =10.8124(3) Å, β = 100.015(2)°, Z = 4, sp. gr. P2{sub 1}/c, R = 0.0381 for 2537 reflections with I > 2σ(I). Except for C(CH{sub 3}){sub 2} group, the molecule is planar. The structure is stabilized by inter- and intramolecular N-H...O hydrogen bonds and weak C-H...O interactions.
Growth and characterization of LiInSe2 single crystals

NASA Astrophysics Data System (ADS)

Ma, Tianhui; Zhu, Chongqiang; Lei, Zuotao; Yang, Chunhui; Sun, Liang; Zhang, Hongchen

2015-04-01

Large and crack-free LiInSe2 single crystals were obtained by the vertical gradient freezing method with adding a temperature oscillation technology in a two-zone furnace. X-ray diffraction data showed that the pure LiInSe2 compound was synthesized. The grown crystals had different color depending on melt composition. The atomic ratios of elements of LiInSe2 crystals were obtained by an Inductively Coupled Plasma-Atomic Emission Spectrometry (ICP-AES), and the structural formula were calculated according to the relative contents of elements. The average absorption coefficients were estimated by using average reflection indices. The absorption coefficients of the thermal annealing samples are 0.6 cm-1 at 2-3 μm. The transparent range of our LiInSe2 crystals is from 0.6 μm to 13.5 μm.
New multicell model for describing the atomic structure of La{sub 3}Ga{sub 5}SiO{sub 14} piezoelectric crystal: Unit cells of different compositions in the same single crystal

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

Dudka, A. P., E-mail: dudka@ns.crys.ras.ru

2017-03-15

Accurate X-ray diffraction study of langasite (La{sub 3}Ga{sub 5}SiO{sub 14}) single crystal has been performed using the data obtained on a diffractometer equipped with a CCD area detector at 295 and 90.5 K. Within the known La{sub 3}Ga{sub 5}SiO{sub 14} model, Ga and Si cations jointly occupy the 2d site. A new model of a “multicell” consisting of two different unit cells is proposed. Gallium atoms occupy the 2d site in one of these cells, and silicon atoms occupy this site in the other cell; all other atoms correspondingly coordinate these cations. This structure implements various physical properties exhibited bymore » langasite family crystals. The conclusions are based on processing four data sets obtained with a high resolution (sin θ/λ ≤ 1.35 Å{sup –1}), the results reproduced in repeated experiments, and the high relative precision of the study (sp. gr. P321, Z = 1; at 295 K, a = 8.1652(6) Å, c = 5.0958(5) Å, R/wR = 0.68/0.68%, 3927 independent reflections; at 90.5 K, a = 8.1559(4) Å, c = 5.0913(6) Å, R/wR = 0.92/0.93%, 3928 reflections).« less
The Single-Crystal Elasticity of Yttria (Y2O3) to High Temperature

NASA Technical Reports Server (NTRS)

Kriven, Waltraud M.; Palko, James W.; Sinogeikin, Stanislav V.; Bass, Jay D.; Sayir, Ali; Levine, Stanley R. (Technical Monitor)

2000-01-01

The single-crystal elastic moduli of yttria have been measured by Brillouin spectroscopy up to 1200 C. The room temperature values obtained are C11 = 223.6 +/- 0.6 GPa, C44 = 74.6 +/- 0.5 GPa, and C12 = 112.4 +/- 1.0 GPa. The resulting bulk and (Voigt-Reuss-Hill) shear moduli are K = 149.5 +/- 1.0 GPa and G(sub VRH) = 66.3 +/- 0.8 GPa, respectively. These agree much more closely with experimental values reported for polycrystalline samples than do previous single-crystal measurements. Linear least squares regressions to the variation of bulk and shear moduli with temperature result in derivatives of dK/dT = -17 +/- 2 MPa/degC and dG(sub VRH)/dT = -8 +/- 2 MPa/degC. Elastic anisotropy was found to remain essentially constant over the temperature range studied.
Translation effects on vertical Bridgman growth and optical, mechanical and surface analysis of 2-phenylphenol single crystal

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

Sadhasivam, S., E-mail: sadha.phy1@gmail.com; Perumal, Rajesh Narayana

2-phenylphenol optical crystals were grown in cone ampoules using vertical Bridgman technique. Single crystal of 2-phenylphenol with 150 mm length has been grown. The inclination on the conical part of the ampoule reduces the growth defects in the 2-phenylphenol single crystal. The lattice parameters and structure studied using single crystal X-ray diffraction method. 2-phenylphenol single crystal belongs to orthorhombic space group Fdd2. The micro translation rate affects crystal growth of 2-phenylphenol crystal was studied. The translation rate dependent defects present in the crystal were investigated by transmittance, indentation and etching characterizations. The dislocation induced indentation crack lengths variations were studied. Etchmore » pits and striations observed for the selective etchants furnish significant information on growth aspects and degree of defect present in the crystal.« less
Wafer-scale single-crystal perovskite patterned thin films based on geometrically-confined lateral crystal growth

PubMed Central

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

2017-01-01

We report a facile roll-printing method, geometrically confined lateral crystal growth, for the fabrication of large-scale, single-crystal CH3NH3PbI3 perovskite thin films. Geometrically confined lateral crystal growth is based on transfer of a perovskite ink solution via a patterned rolling mould to a heated substrate, where the solution crystallizes instantly with the immediate evaporation of the solvent. The striking feature of this method is that the instant crystallization of the feeding solution under geometrical confinement leads to the unidirectional lateral growth of single-crystal perovskites. Here, we fabricated single-crystal perovskites in the form of a patterned thin film (3 × 3 inch) with a high carrier mobility of 45.64 cm2 V−1 s−1. We also used these single-crystal perovskite thin films to construct solar cells with a lateral configuration. Their active-area power conversion efficiency shows a highest value of 4.83%, which exceeds the literature efficiency values of lateral perovskite solar cells. PMID:28691697
Chalcogen (O2, S, Se, Te) atmosphere annealing induced bulk superconductivity in Fe1+yTe1-xSex single crystal

NASA Astrophysics Data System (ADS)

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

2014-09-01

We reported a detailed study of Fe1+yTe0.6Se0.4 single crystals annealed in the atmosphere of chalcogens (O2, S, Se, Te). After annealing with appropriate amount of chalcogens, Fe1+yTe0.6Se0.4 single crystals show Tc higher than 14 K with a sharp transition width ∼1 K. Critical current density Jc for the annealed crystals reach a very high value ∼2-4 × 105 A/cm2 under zero field, and is also robust under applied field at low temperatures. Magneto-optical imaging reveal that the Jc is homogeneously distributed in the annealed crystals and isotropic in the ab-plane. Our results show that annealing in the atmosphere of chalcogens can successfully induce bulk superconductivity in Fe1+yTe0.6Se0.4.
Growth and characterization of SrI2:Eu2+ single crystal for gamma ray detector applications

NASA Astrophysics Data System (ADS)

Raja, A.; Daniel, D. Joseph; Ramasamy, P.; Singh, S. G.; Sen, S.; Gadkari, S. C.

2018-04-01

Europium activated Strontium Iodide single crystal was grown by vertical Bridgman-stockbarger technique. The melting point and freezing point of SrI2:Eu2+ crystal was analyzed by TG/DTA. The Radioluminescence emission was recorded. The scintillation measurement was carried out for the grown SrI2:Eu2+ crystal under 137Cs gamma energy source.
Electronic sputtering of LiF, CaF2, LaF3 and UF4 with 197 MeV Au ions. Is the stoichiometry of atom emission preserved?

NASA Astrophysics Data System (ADS)

Toulemonde, M.; Assmann, W.; Muller, D.; Trautmann, C.

2017-09-01

Sputtering experiments with swift heavy ions in the electronic energy loss regime were performed by using the catcher technique in combination with elastic recoil detection analysis. Four different fluoride targets, LiF, CaF2, LaF3 and UF4 were irradiated in the electronic energy loss regime using 197 MeV Au ions. The angular distribution of particles sputtered from the surface of freshly cleaved LiF and CaF2 single crystals is composed of a broad cosine distribution superimposed by a jet-like peak that appears perpendicular to the surface independent of the angle of beam incidence. For LiF, the particle emission in the entire angular distribution (jet plus broad cosine component) is stoichiometric, whereas for CaF2 the ratio of the sputtered F to Ca particles is at large angles by a factor of two smaller than the stoichiometry of the crystal. For single crystalline LaF3 no jet component is observed and the angular distribution is non-stoichiometric with the number of sputtered F particles being slightly larger than the number of sputtered La particles. In the case of UF4, the target was polycrystalline and had a much rougher surface compared to cleaved crystals. This destroys the appearance of a possible jet component leading to a broad angular distribution. The ratio of sputtered U atoms compared to F atoms is in the order of 1-2, i.e. the number of collected particles on the catcher is also non-stoichiometric. Such unlike behavior of particles sputtered from different fluoride crystals creates new questions.
Studies of Second Order Optical Nonlinearities of 4-Aminobenzophenone (ABP) Single Crystal Films

NASA Astrophysics Data System (ADS)

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.
Numerical simulation and growth of Li2Zn2(MoO4)3 single crystals by the top seeded solution growth technique

NASA Astrophysics Data System (ADS)

Sukharev, V.; Sukhanova, E.; Mozhevitina, E.; Sadovsky, A.; Avetissov, I.

2017-06-01

Li2O - ZnO - MoO3 pseudo ternary system was used for the growth of Li2Zn2(MoO4)3 crystals by the top seeded solution growth technique in which MoO3 was used as a solvent. Properties of the melts (density, viscosity) have been experimentally measured at different temperatures and compositions of Li2O - ZnO - MoO3 pseudo ternary system. Heat mass transfer in the crystal growth setup was numerically simulated. Using the simulation results a real growth setup was made, Li2Zn2(MoO4)3 crystals were grown and their properties were studied.
Magnetization and transport properties of single RPd2P2 (R=Y, La-Nd, Sm-Ho, Yb)

NASA Astrophysics Data System (ADS)

Drachuck, Gil; Boehmer, Anna; Bud'Ko, Sergey L.; Canfield, Paul

Single crystals of RPd2P2 (R=Y, La-Nd, Sm-Ho, Yb) were grown using a self-flux method and were characterized by room-temperature powder X-ray diffraction, anisotropic temperature and field dependent magnetization and temperature dependent in-plane resistivity. Anisotropic magnetic properties, arising mostly from crystal electric field (CEF) effects, were observed for most magnetic rare earths. The experimentally estimated CEF parameters B02 were calculated from the anisotropic paramagnetic θab and θcvalues. Ordering temperatures, as well as the polycrystalline averaged paramagnetic Curie-Weiss temperature, θave, were extracted from magnetization and resistivity measurements. Work done at Ames Laboratory was supported by US Department of Energy, Basic Energy Sciences, Division of Materials Sciences and Engineering under Contract No. DE-AC02-07CH111358.
Perovskite single crystals and thin films for optoelectronic devices (Conference Presentation)

NASA Astrophysics Data System (ADS)

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.
Growth and characterization of a new nonlinear optical organic crystal: 2,4,6-Trimethylacetanilide

NASA Astrophysics Data System (ADS)

Upadhyaya, V.; Prabhu, Sharada G.

2015-09-01

A new nonlinear optical organic material, 2,4,6-trimethylacetanilide (246TMAA), also known as N-[2,4,6- trimethylphenyl]acetamide, has been synthesized and grown as a single crystal by the slow evaporation technique by organic solvents. The grown crystals have been characterized by morphology study. The crystals are prismatic. Surface examination shows granular dendritic pattern in optical micrograph. The Scanning Electron Micrograph shows the layered growth of the crystal. The Differential Scanning Calorimeter plot shows no phase change until melting point (219°C). The density of the crystals is 1.1g/cc and the crystals are soft. The crystals are transparent in the visible region and in the ultra-violet region till 280 nm. 246TMAA crystallizes with 2 molecules in a monoclinic unit cell in the noncentrosymmetric point group m, space group Pn. Refractive indices of this optically biaxial crystal along the three crystallophysical axes have been measured at 633 nm. The optical second harmonic generation efficiency of the crystal at 1064 nm is about half that of the urea crystal, measured by powder method using Nd:YAG laser. The results show that the 246TMAA crystal can efficiently be used for up-conversion of infrared radiation into visible green light. The powder X-ray diffraction spectrum of the crystal has been obtained.
Growth of 4-(dimethylamino) benzaldehyde doped triglycine sulphate single crystals and its characterization

NASA Astrophysics Data System (ADS)

Rai, Chitharanjan; Sreenivas, K.; Dharmaprakash, S. M.

2009-11-01

Single crystals of triglycine sulphate (TGS) doped with 1 mol% of 4-(dimethylamino) benzaldehyde (DB) have been grown from aqueous solution at ambient temperature by slow evaporation technique. The effect of dopant on the crystal growth and dielectric, pyroelectric and mechanical properties of TGS crystal have been investigated. X-ray powder diffraction pattern for pure and doped TGS was collected to determine the lattice parameters. FTIR spectra were employed to confirm the presence of 4-(dimethylamino) benzaldehyde in TGS crystal, qualitatively. The dielectric permittivity has been studied as a function of temperature by cooling the sample at a rate of 1 °C/min. An increase in the Curie temperature Tc=51 °C (for pure TGS, Tc=48.5 °C) and decrease in maximum permittivity has been observed for doped TGS when compared to pure TGS crystal. Pyroelectric studies on doped TGS were carried out to determine pyroelectric coefficient. The Vickers's hardness of the doped TGS crystals along (0 1 0) face is higher than that of pure TGS crystal for the same face. Domain patterns on b-cut plates were observed using scanning electron microscope. The low dielectric constant, higher pyroelectric coefficient and higher value of hardness suggest that doped TGS crystals could be a potential material for IR detectors.
Spin order in FeV2O4 determined by single crystal Mössbauer spectroscopy in applied magnetic field

NASA Astrophysics Data System (ADS)

Nakamura, Shin; Kobayashi, Yasuhiro; Kitao, Shinji; Seto, Makoto

2018-05-01

In order to clarify the spin order of FeV2O4, 57Fe Mössbauer spectroscopy has been conducted by using a single crystal specimen. A measurement in applied magnetic field has been also conducted. By applying a slight compression in the sample plane, almost single domain state was achieved in the low temperature phases. The spectra consist of Fe2+ spectra ( 85%) and Fe2.5+ spectra ( 15%), corresponding to the A- and B-site Fe ions, respectively. The B-site spectrum well represents the local structure and the magnetic structure of V3+ ion on the B-site. Notable changes in the Mössbauer parameters are recognized at 140, 110, and 65 K, where the successive phase transitions take place. The feature well represents the orbital and spin order. In the orthorhombic phase below 110 K, Fe2+ and V3+ spins form a collinear ferrimagnetic order along the a-axis. Below 65 K in the low temperature tetragonal phase, however, both spins incline from the c-axis to form a canted ferrimagnetic structure. The canting angles are about 17° and 52° at 4.2 K for Fe2+ and V3+ spins, respectively.
Crystal growth and characterization of Ce:Gd3(Ga,Al)5O12 single crystal using floating zone method in different O2 partial pressure

NASA Astrophysics Data System (ADS)

Yoshikawa, Akira; Fujimoto, Yutaka; Yamaji, Akihiro; Kurosawa, Shunsuke; Pejchal, Jan; Sugiyama, Makoto; Wakahara, Shingo; Futami, Yoshisuke; Yokota, Yuui; Kamada, Kei; Yubuta, Kunio; Shishido, Toetsu; Nikl, Martin

2013-09-01

Multicomponent garnet Ce:Gd3(Ga,Al)5O12 (Ce:GAGG) single crystals show very high light yield with reasonably fast scintillation response. Therefore, they can be promising scintillators for gamma-ray detection. However, in the decay curve a very slow component does exist. Therefore, it is necessary to optimize further the crystal growth technology of Ce:GAGG. In this study, Ce:GAGG single crystals were grown by the floating zone (FZ) method under atmospheres of various compositions such as Ar 100%, Ar 80% + O2 20%, Ar 60% + O2 40% and O2 100%. Radioluminescence spectra are dominated by the band at about 540 nm due to Ce3+ 5d1-4f transition. The Ce:GAGG single crystal grown under Ar atmosphere shows an intense slower decay component. It can be related to the processes of the delayed radiative recombination and thermally induced ionization of 5d1 level of Ce3+ center possibly further affected by oxygen vacancies. This slower decay process is significantly suppressed in the samples grown under the O2 containing atmosphere.

Highly Efficient LiYF4:Yb(3+), Er(3+) Upconversion Single Crystal under Solar Cell Spectrum Excitation and Photovoltaic Application.

PubMed

Chen, Xu; Xu, Wen; Song, Hongwei; Chen, Cong; Xia, Haiping; Zhu, Yongsheng; Zhou, Donglei; Cui, Shaobo; Dai, Qilin; Zhang, Jiazhong

2016-04-13

Luminescent upconversion is a promising way to harvest near-infrared (NIR) sunlight and transforms it into visible light that can be directly absorbed by active materials of solar cells and improve their power conversion efficiency (PCE). However, it is still a great challenge to effectively improve the PCE of solar cells with the assistance of upconversion. In this work, we demonstrate the application of the transparent LiYF4:Yb(3+), Er(3+) single crystal as an independent luminescent upconverter to improve the PCE of perovskite solar cells. The LiYF4:Yb(3+), Er(3+) single crystal is prepared by an improved Bridgman method, and its internal quantum efficiency approached to 5.72% under 6.2 W cm(-2) 980 nm excitation. The power-dependent upconversion luminescence indicated that under the excitation of simulated sunlight the (4)F(9/2)-(4)I(15/2) red emission originally results from the cooperation of a 1540 nm photon and a 980 nm photon. Furthermore, when the single crystal is placed in front of the perovskite solar cells, the PCE is enhanced by 7.9% under the irradiation of simulated sunlight by 7-8 solar constants. This work implies the upconverter not only can serve as proof of principle for improving PCE of solar cells but also is helpful to practical application.
Preparation of fine single crystals of magnetic superconductor RuSr2GdCu2O8-δ by partial melting

NASA Astrophysics Data System (ADS)

Yamaki, Kazuhiro; Bamba, Yoshihiro; Irie, Akinobu

2018-03-01

In this study, fine uniform RuSr2GdCu2O8-δ (RuGd-1212) single crystals have been successfully prepared by partial melting. Synthesis temperature could be lowered to a value not exceeding the decomposition temperature of RuGd-1212 using the Sr-Gd-Cu-O flux. The crystals grown by alumina boats are cubic, which coincides with the result of a previous study of RuGd-1212 single crystals using platinum crucibles. The single crystals were up to 15 × 15 × 15 µm3 in size and their lattice constants were consistent with those of polycrystalline samples reported previously. Although the present size of single crystals is not sufficient for measurements, the partial melting technique will be beneficial for future progress of research using RuGd-1212 single crystals. Appropriate nominal composition, sintering atmosphere, and temperature are essential factors for growing RuGd-1212 single crystals.
High resolution FTIR spectroscopy of BaY2F8 single crystals doped with trivalent Er

NASA Astrophysics Data System (ADS)

Baraldi, A.; Capelletti, R.; Cornelli, M.; Ponzoni, A.; Ruffini, A.; Sperzagni, A.; Tonelli, M.

High resolution (0.04 cm-1) FTIR spectroscopy is applied to monoclinic Er3+-doped BaY2F8 single crystals in the wavenumber range 500-24000 cm-1 and temperature range 9-300 K to study the crystal field splitting of the fundamental 4I15/2 and of the excited 4I13/2, 4I11/2, 4I9/2, 4F9/2, 4S3/2, 2H11/2, 4F7/2, 4F5/2, and 4F3/2 states and the effects caused by increasing Er3+-concentrations (2-20% m.f.), such as inhomogeneous line-broadening and new lines due to Er3+-Er3+ interaction. In the framework of the electron-phonon interaction, the thermally induced line-broadening and -shift are detected and accounted for by the two-phonon Raman model and the vibronic replicas of a few lines are investigated.
Spectroscopic and laser cooling results on Yb3+-doped BaY2F8 single crystal

NASA Astrophysics Data System (ADS)

Bigotta, Stefano; Parisi, Daniela; Bonelli, Lucia; Toncelli, Alessandra; Tonelli, Mauro; Di Lieto, Alberto

2006-07-01

Anti-Stokes cooling has been observed in an Yb3+-doped BaY2F8 single crystal. Single crystals have been grown by the Czochralski technique. The absorption spectra and the emission properties have been measured at room temperature and at 10K. The energy positions of the Stark sublevels of the ground and the excited state manifolds have been determined and separated from the vibronic substructure. The intrinsic decay time of the F5/22 level has been measured taking care of avoiding the effect of multiple reabsorption processes. The theoretical and experimental cooling efficiencies of Yb:BaY2F8 are evaluated and compared with respect to those of the most frequently investigated materials for laser cooling. A temperature drop of almost 4K was measured by pumping the crystal with 3W of laser radiation at ˜1025nm in single pass configuration with a cooling efficiency of ˜3%.
Detailed study of the structure of the low-energy magnetic excitations in overdoped La1.75Sr0.25CuO4

NASA Astrophysics Data System (ADS)

Ikeuchi, Kazuhiko; Kikuchi, Tatsuya; Nakajima, Kenji; Kajimoto, Ryoichi; Wakimoto, Shuichi; Fujita, Masaki

2018-05-01

To examine the detailed structure of low-energy magnetic excitations in a high-transition-temperature superconducting cuprate with heavily hole-doping, we performed inelastic neutron scattering experiments on La1.75Sr0.25CuO4. We observed clear dispersion relations of the previously reported incommensurate (IC) magnetic correlations at Qtet = (0.5 ± δ , 0.5) / (0.5 , 0.5 ± δ) [1]. In addition, we show the emergence of continuum magnetic excitations with a ring shape centered at Γ point Qtet = (0.5 , 0.5) in a constant energy spectrum at T = 50 K . The radius of the ring (r = 0.109) is smaller than the incommensurability (δ = 0.118) . This suggests that the origin of the ring-like excitations is different from that of the IC magnetic correlations, and the low-energy magnetic excitations of the La2-xSrxCuO4 system are inherently composed of these two kinds of excitations.
Single crystal growth of the Er2PdSi3 intermetallic compound

NASA Astrophysics Data System (ADS)

Mazilu, I.; Frontzek, M.; Löser, W.; Behr, G.; Teresiak, A.; Schultz, L.

2005-02-01

Single crystals of the Er2PdSi3 intermetallic compound melting congruently at 1648 ∘C, were grown by a floating zone method with radiation heating. The control of oxygen content was the key factor to avoid oxide precipitates, which can affect effective grain selection in the crystal growth process. Crystals grown at velocities of 5 mm/h with a preferred direction close to (1 0 0) with inclination angles of about 12 ∘ against the rod axis show very distinct facets at the rod surface. The crystals are Pd-depleted and Si-rich with respect to the nominal Er2PdSi3 stoichiometry, but exhibit inferior element segregation. Measurements on oriented single crystalline samples revealed antiferromagnetic ordering below 7 K, a magnetic easy axis parallel to the (0 0 1) axis of the AlB2-type hexagonal unit cell, and anisotropic electric properties.
The synthesis, single-crystal structure, optical absorption, and resistivity of Th{sub 2}GeSe{sub 5}

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

Koscielski, Lukasz A.; Malliakas, Christos D.; Sarjeant, Amy A.

2013-09-15

The compound Th{sub 2}GeSe{sub 5} has been synthesized by the reaction of the elements at 1273 K. From a single-crystal study Th{sub 2}GeSe{sub 5} crystallizes in the Ba{sub 5}Si{sub 3} structure type with four formula units in the space group D{sup 8}{sub 4h}−P4/ncc of the tetragonal system in a cell with dimensions a=7.4968(4) Å and c=13.6302(9) Å at 100(2) K. From optical absorption measurements Th{sub 2}GeSe{sub 5} is found to have an optical band gap of 1.92 eV (indirect) or 1.98 eV (direct), consistent with its red color. Th{sub 2}GeSe{sub 5} is a wide gap semiconductor, as indicated by itsmore » electrical resistivity at 298 K of 4.37(2)×10{sup 9} Ω cm measured on a single crystal. - Graphical abstract: The structure of Th{sub 2}GeSe{sub 5}. Display Omitted - Highlights: • The new compound Th{sub 2}GeSe{sub 5} was synthesized from the elements and recrystallized from Sb{sub 2}Se{sub 3}. • Th{sub 2}GeSe{sub 5} crystallizes in the Ba{sub 5}Si{sub 3} structure type. • The band gap of Th{sub 2}GeSe{sub 5} is1.92 eV and its resistivity shows it to be a wide gap semiconductor.« less
New metal-organic frameworks of [M(C6H5O7)(C6H6O7)(C6H7O7)(H2O)] . H2O (M=La, Ce) and [Ce2(C2O4)(C6H6O7)2] . 4H2O

NASA Astrophysics Data System (ADS)

Weng, Sheng-Feng; Wang, Yun-Hsin; Lee, Chi-Shen

2012-04-01

Two novel materials, [M(C6H5O7)(C6H6O7)(C6H7O7)(H2O)] . H2O (M=La(1a), Ce(1b)) and [Ce2(C2O4)(C6H6O7)2] . 4H2O (2), with a metal-organic framework (MOF) were prepared with hydrothermal reactions and characterized with photoluminescence, magnetic susceptibility, thermogravimetric analysis and X-ray powder diffraction in situ. The crystal structures were determined by single-crystal X-ray diffraction. Compound 1 crystallized in triclinic space group P1¯ (No. 2); compound 2 crystallized in monoclinic space group P21/c (No. 14). The structure of 1 is built from a 1D MOF, composed of deprotonated citric ligands of three kinds. Compound 2 contains a 2D MOF structure consisting of citrate and oxalate ligands; the oxalate ligand arose from the decomposition in situ of citric acid in the presence of CuII ions. Photoluminescence spectra of compounds 1b and 2 revealed transitions between the 5d1 excited state and two levels of the 4f1 ground state (2F5/2 and 2F7/2). Compounds 1b and 2 containing CeIII ion exhibit a paramagnetic property with weak antiferromagnetic interactions between the two adjacent magnetic centers.
Low-Threshold Lasing from 2D Homologous Organic-Inorganic Hybrid Ruddlesden-Popper Perovskite Single Crystals.

PubMed

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

NASA Astrophysics Data System (ADS)

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

2007-12-01

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

PubMed

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
Structural study of quasi-one-dimensional vanadium pyroxene LiVSi{sub 2}O{sub 6} single crystals

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

Ishii, Yuto; Matsushita, Yoshitaka; Oda, Migaku

Single crystals of quasi-one-dimensional vanadium pyroxene LiVSi{sub 2}O{sub 6} were synthesized and the crystal structures at 293 K and 113 K were studied using X-ray diffraction experiments. We found a structural phase transition from the room-temperature crystal structure with space group C2/c to a low-temperature structure with space group P2{sub 1}/c, resulting from a rotational displacement of SiO{sub 4} tetrahedra. The temperature dependence of magnetic susceptibility shows a broad maximum around 116 K, suggesting an opening of the Haldane gap expected for one-dimensional antiferromagnets with S=1. However, an antiferromagnetic long-range order was developed below 24 K, probably caused by amore » weak inter-chain magnetic coupling in the compound. - Graphical abstract: Low temperature crystal structure of LiVSi{sub 2}O{sub 6} and an orbital arrangement within the V-O zig-zag chain along the c-axis. - Highlights: • A low temperature structure of LiVSi{sub 2}O{sub 6} was determined by single crystal X-ray diffraction measurements. • The origin of the structural transition is a rotational displacement of SiO{sub 4} tetrahedra. • The uniform orbital overlap in the V-O zigzag chain makes the system a quasi one-dimensional antiferromagnet.« less
Decoupling of magnetism and electric transport in single-crystal (Sr1‑x A x )2IrO4 (A = Ca or Ba)

NASA Astrophysics Data System (ADS)

Zhao, H. D.; Terzic, J.; Zheng, H.; Ni, Y. F.; Zhang, Y.; Ye, Feng; Schlottmann, P.; Cao, G.

2018-06-01

We report a systematical structural, transport and magnetic study of Ca or Ba doped Sr2IrO4 single crystals. Isoelectronically substituting Ca2+ (up to 15%) or Ba2+ (up to 4%) ion for the Sr2+ ion provides no additional charge carriers but effectively changes the lattice parameters in Sr2IrO4. In particular, 15% Ca doping considerably reduces the c-axis and the unit cell by nearly 0.45% and 1.00%, respectively. These significant, anisotropic compressions in the lattice parameters conspicuously cause no change in the Néel temperature which remains at 240 K, but drastically reduces the electrical resistivity by up to five orders of magnitude or even precipitates a sharp insulator-to-metal transition at lower temperatures, i.e. the vanishing insulating state accompanies an unchanged Néel temperature in (Sr1‑x A x )2IrO4. This observation brings to light an intriguing difference between chemical pressure and applied pressure, the latter of which does suppress the long-range magnetic order in Sr2IrO4. This difference reveals the importance of the Ir1–O2–Ir1 bond angle and homogenous volume compression in determining the magnetic ground state. All results, along with a comparison drawn with results of Tb and La doped Sr2IrO4, underscore that the magnetic transition plays a nonessential role in the formation of the charge gap in the spin–orbit-tuned iridate.
Fermi surface measurements in YBa2Cu3O(7-x) and La(1.874)Sr(126)CuO4

NASA Astrophysics Data System (ADS)

Howell, R. H.; Sterne, P. A.; Solal, F.; Fluss, M. J.; Haghighi, H.; Kaiser, J. H.; Rayner, S. L.; West, R. N.; Liu, J. Z.; Shelton, R.

1991-06-01

We report new, ultra high precision measurements of the electron-positron momentum spectra of YBa2Cu3O(7-x) and La(1.874)Sr(126)CuO4. The YBCO experiments were performed on twin free, single crystals and show discontinuities with the symmetry of the Fermi surface of the CuO chain bands. Conduction band and underlying features in LSCO share the same symmetry and can only be separated with the aid of LDA calculations.
Fermi surface measurements in YBa 2Cu 3O 7- x and La 1.874Sr .126CuO 4

NASA Astrophysics Data System (ADS)

Howell, R. H.; Sterne, P. A.; Solal, F.; Fluss, M. J.; Haghight, H.; Kaiser, J. H.; Rayner, S. L.; West, R. N.; Liu, J. Z.; Shelton, R.; Kojima, H.; Kitazawa, K.

1991-12-01

We report new, ultra high precision measurements of the electron-positron momentum spectra of YBa 2Cu 3O 7- x and La 1.874Sr .126CuO 4. The YBCO experiments were performed on twin free, single crystals and show discontinuities with the symmetry of the Fermi surface of the CuO chain bands. Conduction band and underlying features in LSCO share the same symmetry and can only be separated with the aid of LDA calculations.
Arsenic speciation in synthetic gypsum (CaSO4·2H2O): A synchrotron XAS, single-crystal EPR, and pulsed ENDOR study

NASA Astrophysics Data System (ADS)

Lin, Jinru; Chen, Ning; Nilges, Mark J.; Pan, Yuanming

2013-04-01

Gypsum (CaSO4·2H2O) is a major by-product of mining and milling processes of borate, phosphate and uranium deposits worldwide and, therefore, potentially plays an important role in the stability and bioavailability of heavy metalloids, including As, in tailings and surrounding areas. Gypsum containing 1900 and 185 ppm As, synthesized with Na2HAsO4·7H2O and NaAsO2 in the starting materials, respectively, have been investigated by synchrotron X-ray absorption spectroscopy (XAS), single-crystal electron paramagnetic resonance spectroscopy (EPR), and pulsed electron nuclear double resonance spectroscopy (ENDOR). Quantitative analyses of As K edge XANES and EXAFS spectra show that arsenic occurs in both +3 and +5 oxidation states and the As3+/As5+ value varies from 0.35 to 0.79. Single-crystal EPR spectra of gamma-ray-irradiated gypsum reveal two types of arsenic-associated oxyradicals: [AsO3]2- and an [AsO2]2-. The [AsO3]2- center is characterized by principal 75As hyperfine coupling constants of A1 = 1952.0(2) MHz, A2 = 1492.6(2) MHz and A3 = 1488.7(2) MHz, with the unique A axis along the S-O1 bond direction, and contains complex 1H superhyperfine structures that have been determined by pulsed ENDOR. These results suggest that the [AsO3]2- center formed from electron trapping on the central As5+ ion of a substitutional (AsO4)3- group after removal of an O1 atom. The [AsO2]2- center is characterized by its unique A(75As) axis approximately perpendicular to the O1-S-O2 plane and the A2 axis along the S-O2 bond direction, consistent with electron trapping on the central As3+ ion of a substitutional (AsO3)3- group after removal of an O2 atom. These results confirm lattice-bound As5+ and As3+ in gypsum and point to potential application of this mineral for immobilization and removal of arsenic pollution.
Heat capacity, resistivity, and angular dependent magnetization studies of single crystal Nd 1 + ϵ Fe 4 B 4 for ϵ ≈ 1 7

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

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

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

DOE PAGES

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

2017-04-04

Advances in crystal growth have allowed for synthesis of large single crystals of Nd 1+ϵFe 4B 4, a well-known phase with a modulated structure. As a result we are able to report heat capacity and resistivity measurements on a single crystal Nd 1+ϵFe 4B 4 sample with a distribution of ϵ that skews towards the solubility limit of Nd near ϵ ≈ 17. Heat capacity measurements show evidence of crystal field splitting at temperatures higher than the long-range ferromagnetic Curie temperature. Heat capacity, resistivity, and magnetization measurements all confirm a Curie temperature of 7 K which is lower than previouslymore » reported values in the Nd 1+ϵFe 4B 4 system. Here, we also perform measurements of the angular dependence of the magnetization and discover behavior associated with the magnetic anisotropy that is inconsistent with the simple description previously proposed.« less
STM/STS Study of LixCoO2 Single Crystals

NASA Astrophysics Data System (ADS)

Iwaya, Katsuya; Minato, Taketoshi; Miyoshi, Kiyotaka; Takeuchi, Jun; Kim, Yousoo; Hitosugi, Taro

2012-02-01

We have performed low temperature scanning tunneling microscopy/spectroscopy (STM/STS) measurements on LixCoO2 (x=0.66) single crystal surfaces. A (1x1) hexagonal lattice was clearly observed and found to be moved by changing bias-voltage polarity, indicating that this could be associated with Li ions on the surface. Under the (1x1) hexagonal lattice, we imaged almost randomly distributed bright dots that were strongly dependent on bias-voltage, with insulating spectroscopic features. Different area on the surface showed a (2x2) hexagonal lattice that could be related to an ordering of Co^3+ and Co^4+ ions. These results suggest the electronic structure of LixCoO2 surface is inhomogeneous possibly due to segregation of Li ions.
Flexible single-crystal silicon nanomembrane photonic crystal cavity.

PubMed

Xu, Xiaochuan; Subbaraman, Harish; Chakravarty, Swapnajit; Hosseini, Amir; Covey, John; Yu, Yalin; Kwong, David; Zhang, Yang; Lai, Wei-Cheng; Zou, Yi; Lu, Nanshu; Chen, Ray T

2014-12-23

Flexible inorganic electronic devices promise numerous applications, especially in fields that could not be covered satisfactorily by conventional rigid devices. Benefits on a similar scale are also foreseeable for silicon photonic components. However, the difficulty in transferring intricate silicon photonic devices has deterred widespread development. In this paper, we demonstrate a flexible single-crystal silicon nanomembrane photonic crystal microcavity through a bonding and substrate removal approach. The transferred cavity shows a quality factor of 2.2×10(4) and could be bent to a curvature of 5 mm radius without deteriorating the performance compared to its counterparts on rigid substrates. A thorough characterization of the device reveals that the resonant wavelength is a linear function of the bending-induced strain. The device also shows a curvature-independent sensitivity to the ambient index variation.

Single Crystal Growth of URu 2Si 2 by the Modified Bridgman Technique

DOE PAGES

Gallagher, Andrew; Nelson, William L.; Chen, Kuan Wen; ...

2016-10-02

We describe a modified Bridgman growth technique to produce single crystals of the strongly correlated electron material URu 2Si 2 and its nonmagnetic analogue ThRu 2Si 2. Bulk thermodynamic and electrical transport measurements show that the properties of crystals produced in this way are comparable to those previously synthesized using the Czochralski or conventional molten metal flux growth techniques. For the specimens reported here, we find residual resistivity ratios RRR = ρ 300K / ρ 0 as large as 116 and 187 for URu 2Si 2 and ThRu 2Si 2, respectively.
Phase transitions in (NH4)2MoO2F4 crystal

NASA Astrophysics Data System (ADS)

Krylov, Alexander; Laptash, Natalia; Vtyurin, Alexander; Krylova, Svetlana

2016-11-01

The mechanisms of temperature and high pressure phase transitions have been studied by Raman spectroscopy. Room temperature (295 K) experiments under high hydrostatic pressure up to 3.6 GPa for (NH4)2 MoO2 F4 have been carried out. Experimental data indicates a phase transition into a new high-pressure phase for (NH4)2 MoO2 F4 at 1.2 GPa. This phase transition is related to the ordering anion octahedron groups [MoO2 F4]2- and is not associated with ammonium group. Raman spectra of small non-oriented crystals ranging from 10 to 350 K have been observed. The experiment shows anion groups [MoO2 F4]2- and ammonium in high temperature phase are disordered. The phase transition at T1 = 269.8 K is of the first-order, close to the tricritical point. The first temperature phase transition is related to the ordering anion octahedron groups [MoO2 F4]2-. Second phase transitions T2 = 180 K are associated with the ordering of ammonium. The data presented within this study demonstrate that 2D correlation analysis combined with traditional Raman spectroscopy are powerful tool to study phase transitions in the crystals.
Improved growth method of (SN) x single crystals

NASA Astrophysics Data System (ADS)

Nakada, Ichiroh

1981-12-01

The crystal growth of pure and sizable single crystals of polysulfur nitride (SN) x was improved by adopting a monitor system with a quadrapole mass spectrometer and a Pirani gauge. The mass spectrometer helped to find a temperature appropriate for trapping (SN) 2 selectively on a cold finger and removing other unnecessary or harmful materials produced by the thermal decomposition of (SN) 4 as well as out-gassing water vapour from the glass wall. Leakage of gasses in the vessel was monitored with the Pirani gauge. With a heat pipe the crystal tube is cooled locally so that only a small number of nuclei start to grow. (SN) x single crystals with dimensions of 1 to 6 mm in edge size have been obtained. The relation between the crystal habit and the crystallographic axes has also been determined.
Low carrier semiconductor like behavior in Lu3Ir4Ge13 single crystal

NASA Astrophysics Data System (ADS)

Kumar, Anil; Matteppanavar, Shidaling; Thamizhavel, A.; Ramakrishnan, S.

2018-04-01

Single crystal of Lu3Ir4Ge13 crystallizing in the Yb3Rh4Sn13-type cubic crystal structure has been grown by Czochralski method in a tetra-arc furnace. In this paper we report on the crystal structure, magnetic and transport properties of Lu3Ir4Ge13. The analysis of the powder x-ray diffraction (XRD) studies revealed that Lu3Ir4Ge13 crystallizes in a cubic structure with the space group Pm-3n, no. 223. The lattice parameter was obtained from the Rietveld refinement of the room temperature XRD data which amounts to 8.904 (3) Å with low R factors. The temperature dependence of the resistivity exhibited semiconductor like behavior till 1.8 K, with a broad hump around 15 - 62 K. This hump was observed in both warming and cooling cycle with a very small hysteresis, it may be due to the existence of structural transition from high - low symmetry. The temperature dependent magnetization data shows the diamagnetic behavior with an anomaly around 70 K, which is well supported by the derivative of resistivity data.
Aqueous Sulfate Separation by Sequestration of [(SO 4) 2(H 2O) 4] 4 Clusters within Highly Insoluble Imine-Linked Bis-Guanidinium Crystals

DOE PAGES

Custelcean, Radu; Williams, Neil J.; Seipp, Charles A.; ...

2015-12-18

Quantitative removal of sulfate from seawater was achieved by selective crystallization of the anion with a bis(guanidinium) ligand self-assembled in situ through imine condensation of simple components. The resulting crystalline salt has an exceptionally low aqueous solubility, on a par with BaSO 4. Single-crystal X-ray diffraction analysis revealed pairs of sulfate anions clustered together with four water molecules within the crystals.
Ultrathin solution-processed single crystals of thiophene-phenylene co-oligomers for organic field-effect devices

NASA Astrophysics Data System (ADS)

Glushkova, Anastasia V.; Poimanova, Elena Yu.; Bruevich, Vladimir V.; Luponosov, Yuriy N.; Ponomarenko, Sergei A.; Paraschuk, Dmitry Yu.

2017-08-01

Thiophene-phenylene co-oligomers (TPCO) single crystals are promising materials for organic light-emitting devices, e.g., light-emitting transistors (OLETs), due to their ability to combine high luminescence and efficient charge transport. However, optical confinement in platy single crystals strongly decreases light emission from their top surface degrading the device performance. To avoid optical waveguiding, single crystals thinner than 100 nm would be beneficial. Herein, we report on solution-processed ultrathin single crystals of TPCO and study their charge transport properties. As materials we used 1,4-bis(5'-hexyl-2,2'-bithiophene-5-yl)benzene (DH-TTPTT) and 1,4-bis(5'-decyl-2,2'-bithiophene-5-yl)benzene (DD-TTPTT). The ultrathin single crystals were studied by optical polarization, atomic-force, and transmission electron microscopies, and as active layers in organic field effect transistors (OFET). The OFET hole mobility was increased tenfold for the oligomer with longer alkyl substituents (DD-TTPTT) reaching 0.2 cm2/Vs. Our studies of crystal growth indicate that if the substrate is wetted, it has no significant effect on the crystal growth. We conclude that solution-processed ultrathin TPCO single crystals are a promising platform for organic optoelectronic field-effect devices.
Crystal Structure and Magnetic Properties of New Cubic Quaternary Compounds RT2Sn2Zn18 (R = La, Ce, Pr, and Nd, and T = Co and Fe)

NASA Astrophysics Data System (ADS)

Isikawa, Yosikazu; Mizushima, Toshio; Ejiri, Jun-ichi; Kitayama, Shiori; Kumagai, Keigou; Kuwai, Tomohiko; Bordet, Pierre; Lejay, Pascal

2015-07-01

The new cubic quaternary intermetallic compounds RT2Sn2Zn18 (R = La, Ce, Pr, and Nd, and T = Co and Fe) were synthesized by the mixture-metal flux method using Zn and Sn. The crystal structure was investigated by powder X-ray diffraction and with a four-circle X-ray diffractometer using single crystals. The space group of the compounds is Fdbar{3}m (No. 227). The rare-earth atom is at the cubic site which is the center of a cage composed of Zn and Sn atoms. The crystal structure is the same as the CeCr2Al20-type crystal structure except the atoms at the 16c site, i.e., the Zn atoms at the 16c site are completely replaced by Sn atoms, indicating that the compounds are crystallographically new ordered quaternary compounds. The lattice parameter a and the physical properties of the magnetic susceptibility χ, the magnetization M, and the specific heat C of these cubic caged compounds were investigated. LaCo2Sn2Zn18 and LaFe2Sn2Zn18 are enhanced Pauli paramagnets that originate from the Co and Fe itinerant 3d electrons. CeCo2Sn2Zn18 and CeFe2Sn2Zn18 are also enhanced Pauli paramagnets that originate from both the 3d electrons and Ce 4f electrons. PrCo2Sn2Zn18 and PrFe2Sn2Zn18 are nonmagnetic materials with huge values of C divided by temperature, which indicates that the ground state of Pr ions is a non-Kramers' doublet. NdCo2Sn2Zn18 and NdFe2Sn2Zn18 are magnetic materials with the Néel temperatures of 1.0 and 3.8 K, respectively. All eight compounds have large magnetic moments of Co/Fe in the paramagnetic temperature region, and thus their magnetic moments are inferred to be magnetically frustrating owing to the pyrochlore lattice in the low-temperature region.
Strength anomaly in B2 FeAl single crystals

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

Yoshimi, K.; Hanada, S.; Yoo, M.H.

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). Themore » 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.« less
Dependences of the density of M{sub 1-x}R{sub x}F{sub 2+x} and R{sub 1-y}M{sub y}F{sub 3-y} single crystals (M = Ca, Sr, Ba, Cd, Pb; R means rare earth elements) on composition

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

Sorokin, N. I., E-mail: sorokin@ns.crys.ras.ru; Krivandina, E. A.; Zhmurova, Z. I.

2013-11-15

The density of single crystals of nonstoichiometric phases Ba{sub 1-x}La{sub x}F{sub 2+x} (0 {<=} x {<=} 0.5) and Sr{sub 0.8}La{sub 0.2-x}Lu{sub x}F{sub 2.2} (0 {<=} x {<=} 0.2) with the fluorite (CaF{sub 2}) structure type and R{sub 1-y}Sr{sub y}F{sub 3-y} (R = Pr, Nd; 0 {<=} y {<=} 0.15) with the tysonite (LaF{sub 3}) structure type has been measured. Single crystals were grown from a melt by the Bridgman method. The measured concentration dependences of single crystal density are linear. The interstitial and vacancy models of defect formation in the fluorite and tysonite phases, respectively, are confirmed. To implement themore » composition control of single crystals of superionic conductors M{sub 1-x}R{sub x}F{sub 2+x} and R{sub 1-y}M{sub y}F{sub 3-y} in practice, calibration graphs of X-ray density in the MF{sub 2}-RF{sub 3} systems (M = Ca, Sr, Ba, Cd, Pb; R = La-Lu, Y) are plotted.« less
Synthesis, crystal growth, single crystal X-ray analysis and vibrational spectral studies of (2E)-3-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one: A combined DFT study

NASA Astrophysics Data System (ADS)

Chidan Kumar, C. S.; Balachandran, V.; Fun, Hoong-Kun; Chandraju, Siddegowda; Quah, Ching Kheng

2015-11-01

A new chalcone derivative, (2E)-3-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one (a) was synthesized and single crystals were grown by slow evaporation technique. The FT-Raman and FT-IR spectra of the sample were recorded in the region 3500-100 cm-1 and 4000-400 cm-1 respectively. The spectra were interpreted with the aid of normal coordinate analysis, following structure optimizations and force field calculations based on B3LYP/6-31G (d) level of theory. Normal coordinate calculations were performed using the DFT force field corrected by a recommended set of scaling factors yielding fairly good agreement between the observed and calculated wavenumbers. The total electron density and molecular electrostatic potential surfaces of the molecule were constructed using B3LYP/6-31G (d) method to display electrostatic potential (electron + nuclei) distribution, molecular shape, size, and dipole moments of the molecule. HOMO and LUMO energies were also calculated. Stability of the molecule arising from hyperconjugative interactions and charge delocalization has been analyzed using natural bond orbital (NBO) analysis. Global and local reactivity descriptors and dipole moment (μ), static polarizability (α), first order hyperpolarizability (β) and optical gap (ΔE) were also calculated to study the NLO property of our title compound.
Crystal structure details of La- and Bi-substituted hydroxyapatites: Evidence for LaO{sup +} and BiO{sup +} with a very short metal–oxygen bond

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

Kazin, Pavel E., E-mail: kazin@inorg.chem.msu.ru; Pogosova, Mariam A.; Trusov, Lev A.

Crystal structures of substituted apatites with general formula Ca{sub 10−x}M{sub x}(PO{sub 4}){sub 6}(OH{sub 1−δ}){sub 2−x}O{sub x}, where M=La, Bi, 0≤x<2, were refined using high-resolution X-ray powder diffraction patterns. Individual positions for Ca{sup 2+} and M{sup 3+}-ions localized near Ca2-site were determined. The M{sup 3+}-ion was found shifted toward the hexagonal channel center with respect to the Ca{sup 2+}-ion, forming very short bond with the intrachannel O{sup 2−}, while leaving considerably longer distances to other oxygen atoms, which suggested the existence of a MO{sup +} ion. Distinct bands of stretching M–O modes were observed in the Raman and FT-IR spectra ofmore » the compounds. The bond lengths for BiO{sup +} and LaO{sup +} were estimated to be 2.05(1) and 2.09(1) Å correspondingly. The latter was almost 0.3 Å lower than the shortest La–O bond in La{sub 2}O{sub 3}. The realization of such a strong lanthanide–oxygen bond in a crystal lattice could provide a very high axial ligand field and might be implemented to develop high-energy-barrier single-molecule magnets as well as to tune properties of lanthanide-based luminophores. - Graphical abstract: A fragment of the La-for-Ca substituted apatite crystal structure focusing on the La–O bond. - Highlights: • Individual positions in the apatite crystal lattice for a doping atom (La, Bi) and Ca. • The doping atom shifts toward the center of the hexagonal channel. • BiO{sup +} and LaO{sup +} with estimated short bond lengths of 2.05 and 2.09 Å respectively.« less
Temperature induced phase transformations and negative electrocaloric effect in (Pb,La)(Zr,Sn,Ti)O3 antiferroelectric single crystal

NASA Astrophysics Data System (ADS)

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

2017-10-01

Temperature induced phase transitions and electrocaloric effect (ECE) of (Pb,La)(Zr,Sn,Ti)O3 (PLZST) single crystals have been comprehensively studied. Based on the in situ evolution of domain structures and dielectric properties of the PLZST crystals, the phase transitions during heating are in the sequence of orthorhombic antiferroelectric → rhombohedral ferroelectric → cubic paraelectric. Coexistence of the negative and positive ECEs has been achieved in the PLZST single crystals. A negative ECE value of -1.26 °C and enhanced electrocaloric strength of -0.21 K mm/kV near the Curie temperature have been obtained. A modified Landau model gives a satisfactory description of the experimentally observed unusual ECE. Moreover, a temperature-electric field phase diagram is also established based on theoretical analysis. Our results will help people understand better the electrocaloric family, particularly on the negative and/or positive effect in antiferroelectrics and ferroelectrics.
Measurement of ultrashort laser pulses using single-crystal films of 4-aminobenzophenone

NASA Astrophysics Data System (ADS)

Bhowmik, Achintya K.; Tan, Shida; Ahyi, Ayayi C.; Dharmadhikari, J. A.; Dharmadhikari, A. K.; Mathur, D.

2007-12-01

Single-crystal thin-film of an organic second-order nonlinear optical material, 4-aminobenzophenone (ABP), is used to measure the pulsewidth of a Ti-Sapphire laser producing ˜45 fs pulses at 1 kHz repetition rate, by the non-collinear second-harmonic generation (SHG) intensity autocorrelation technique. These films are suitable for measurements over a broad wavelength range, down to 780 nm, due to their wide optical transparency. The single-crystal film with thickness (˜3 μm) less than the coherence length requires no phase-matching for efficient broadband SHG. Pulse walk-off due to group-velocity mismatch (GVM) and temporal broadening of the pulses due to group-velocity dispersion (GVD) are found to be negligible. These effects have been estimated for pulse width down to few-cycle pulses (˜10 fs), and the analyses show that these films can be used to characterize such ultrashort optical pulses.
Modulated visible spectra properties of Pr:Ca1-xRxF2+x(R=Y, La, Gd) crystals

NASA Astrophysics Data System (ADS)

Yu, Hao; Qian, Xiaobo; Wu, Qinghui; Ma, Fengkai; Wang, Jingya; Xu, Jun; Su, Liangbi

2017-10-01

The spectroscopic properties of the 1.0 at.%Pr:Ca0.97R0.02F2.03(R=Y, La, Gd) crystals are investigated. X-diffraction and room temperature absorption spectra have been registered and analyzed. The emission spectra and decay curves of the crystals were obtained at room temperature. The photoluminescence intensity in the visible region is significantly enhanced by co-doping R3+ ions in Pr:CaF2 crystal. The different effects among the R3+ (Y3+, La3+ and Gd3+) regulating ions on the crystals were observed and compared. Pr:Ca0.97La0.02F2.03 and Pr:Ca0.97Y0.02F2.03 crystals have substantially strong emission at blue and orange region, while the Pr:Ca0.97Gd0.02F2.03 crystal is more suitable for the red emission emitting.
Single Crystal Membranes

NASA Technical Reports Server (NTRS)

Stormont, R. W.; Morrison, A.

1974-01-01

Single crystal a- and c-axis tubes and ribbons of sodium beta-alumina and sodium magnesium beta-alumina were grown from sodium oxide rich melts. Additional experiments grew ribbon crystals containing sodium magnesium beta, beta double prime, beta triple prime, and beta quadruple prime. A high pressure crystal growth chamber, sodium oxide rich melts, and iridium for all surfaces in contact with the melt were combined with the edge-defined, film-fed growth technique to grow the single crystal beta-alumina tubes and ribbons. The crystals were characterized using metallographic and X-ray diffraction techniques, and wet chemical analysis was used to determine the sodium, magnesium, and aluminum content of the grown crystals.
Synthesis, crystal growth and characterization of a phase matchable nonlinear optical single crystal: p-chloro dibenzylideneacetone

NASA Astrophysics Data System (ADS)

Ravindra, H. J.; John Kiran, A.; Nooji, Satheesha Rai; Dharmaprakash, S. M.; Chandrasekharan, K.; Kalluraya, Balakrishna; Rotermund, Fabian

2008-05-01

Good quality single crystals of p-chloro dibenzylideneacetone (CDBA) of size 13 mm×8 mm×2 mm were grown by slow evaporation solution growth technique. The grown crystals were confirmed by elemental analysis, Fourier transform infrared (FTIR) analysis and single crystal X-ray diffraction techniques. From the thermo gravimetric/differential thermal (TG/DT) analysis, the CDBA was found to be thermally stable up to 250 °C. The mechanical stability of the crystal is comparable with that of the other reported chalcones. The lower optical cut-off wavelength for this crystal was observed at 440 nm. The laser damage threshold of the crystal was 0.6 GW/cm 2 at 532 nm. The second harmonic generation conversion efficiency of the powder sample of CDBA was found to be 4.5 times greater than that of urea. We also demonstrate the existence of the phase matching property in this crystal using Kurtz powder technique.
Synthesis, structure and properties of blödite-type solid solutions, Na2Co1-x Cu x (SO4)2·4H2O (0 < x ≤ 0.18), and crystal structure of synthetic kröhnkite, Na2Cu(SO4)2·2H2O

NASA Astrophysics Data System (ADS)

Marinova, Delyana; Wildner, Manfred; Bancheva, Tsvetelina; Stoyanova, Radostina; Georgiev, Mitko; Stoilova, Donka G.

2018-03-01

Based on different experimental methods—crystallization processes in aqueous solutions, infrared spectroscopy, single-crystal X-ray diffraction, electron paramagnetic resonance (EPR) and TG-DTA-DSC measurements—it has been established that copper ions are included in sodium cobalt sulfate up to about 18 mol%, thus forming limited solid solutions Na2Co1-x Cu x (SO4)2·4H2O (0 < x ≤ 0.18) with a blödite-type structure. In contrast, cobalt ions are not able to accept the coordination environment of the copper ions in the strongly distorted Cu(H2O)2O4 octahedra, thus resulting in the crystallization of Co-free kröhnkite. The solid solutions were characterized by vibrational and EPR spectroscopy. DSC measurements reveal that the copper concentration increase leads to increasing values of the enthalpy of dehydration (ΔH deh) and decreasing values of the enthalpy of formation (ΔH f). The crystal structures of synthetic kröhnkite, Na2Cu(SO4)2·2H2O, as well as of three Cu2+-bearing mixed crystals of Co-blödite, Na2Co1-x Cu x (SO4)2·4H2O with x (Cu) ranging from 0.03 to 0.15, have been investigated from single-crystal X-ray diffraction data. The new data for the structure of synthetic kröhnkite facilitated to clarify structural discrepancies found in the literature for natural kröhnkite samples, traced back to a mix-up of lattice parameters. The crystal structures of Co-dominant Na2Co1-x Cu x (SO4)2·4H2O solid solutions reveal a comparatively weak influence of the Jahn-Teller-affected Cu2+ guest cations up to the maximum content of x (Cu) = 0.15. The response of the MO2(H2O)4 octahedral shape by increased bond-length distortion with Cu content is clear cut (but limited), mainly concerning the M-OH2 bond lengths, whereas other structural units are hardly affected. However, the specific type of imposed distortion seems to play an important role impeding higher Cu/Co replacement ratios.
Synthesis and structure determination of La{sub 8}Ti{sub 10}S{sub 24}O{sub 4}

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

Cario, L.; Deudon, C.; Meerschaut, A.

1998-02-15

The new compound La{sub 8}Ti{sub 10}S{sub 24}O{sub 4} has been prepared from a mixture of La{sub 2}Ti{sub 2}O{sub 7} and La{sub 2}O{sub 3} (in a 5:1 ratio) heated at 1,200 C under a H{sub 2}S gas flow. This new quaternary phase was obtained due to an incomplete sulfidizing process. Single-crystal X-ray diffraction studies show that La{sub 8}Ti{sub 10}S{sub 24}O{sub 4} crystallizes in space group P4/mmm, with Z = 1, in a cell of dimensions a = b = 10.421 {angstrom} and c = 8.384 {angstrom}. Least-squares refinement converged to values of R - 0.045 and R{sub w} = 0.048. Themore » structure can be viewed as a stacking of two types of layers along the {rvec c} axis. These layers are built up from infinite rutile-like chains (Ti octahedra) that cross perpendicularly. La atoms, in a tricapped prismatic coordination, are located in tunnels that develop parallel to the {rvec c} direction.« less
Single crystal diamond membranes for nanoelectronics.

PubMed

Bray, Kerem; Kato, Hiromitsu; Previdi, Rodolfo; Sandstrom, Russell; Ganesan, Kumaravelu; Ogura, Masahiko; Makino, Toshiharu; Yamasaki, Satoshi; Magyar, Andrew P; Toth, Milos; Aharonovich, Igor

2018-02-22

Single crystal, nanoscale diamond membranes are highly sought after for a variety of applications including nanophotonics, nanoelectronics and quantum information science. However, so far, the availability of conductive diamond membranes has remained an unreachable goal. In this work we present a complete nanofabrication methodology for engineering high aspect ratio, electrically active single crystal diamond membranes. The membranes have large lateral directions, exceeding ∼500 × 500 μm 2 and are only several hundreds of nanometers thick. We further realize vertical single crystal p-n junctions made from the diamond membranes that exhibit onset voltages of ∼10 V and a current of several mA. Moreover, we deterministically introduce optically active color centers into the membranes, and demonstrate for the first time a single crystal nanoscale diamond LED. The robust and scalable approach to engineer the electrically active single crystal diamond membranes offers new pathways for advanced nanophotonic, nanoelectronic and optomechanical devices employing diamond.
Single crystal growth and surface chemical stability of KPb2Br5

NASA Astrophysics Data System (ADS)

Atuchin, V. V.; Isaenko, L. I.; Kesler, V. G.; Tarasova, A. Yu.

2011-03-01

Single crystal of KPb2Br5 has been grown using the Bridgman technique. Initially the synthesis of stoichiometric KPb2Br5 compound was performed from high purity bromide salts. Electronic structure of KPb2Br5 has been determined with X-ray photoelectron spectroscopy for powdered sample fabricated by grinding in air. Drastic chemical interaction of KPb2Br5 with atmosphere has not been detected. Chemical bonding in potassium- and lead-containing bromides is considered using binding energy differences ΔK=(BE K 2p3/2-BE Br 3d) and ΔPb=(BE Pb 4f7/2-BE Br 3d), respectively, as representative parameters.

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

NASA Astrophysics Data System (ADS)

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

2011-12-01

In this study, gamma-irradiated single crystals of (2-hydroxyethyl)triphenylphosphonium chloride [CH2CH2OH P(C6H5)3Cl] were investigated with electron paramagnetic resonance (EPR) spectroscopy at room temperature for different orientations in the magnetic field. The single crystals were irradiated with a 60Co-γ-ray source at 0.818 kGy/h for about 36 h. Taking the chemical structure and the experimental spectra of the irradiated single crystal of the title compound into consideration, a paramagnetic species was produced with the unpaired electron delocalized around 31P and several 1H nuclei. The anisotropic hyperfine values due to the 31P nucleus, slightly anisotropic hyperfine values due to the 1H nuclei and the g-tensor of the radical were measured from the spectra. Depending on the molecular structure and measured parameters, three possible radicals were modeled using the B3LYP/6-31+G(d) level of density-functional theory, and EPR parameters were calculated for modeled radicals using the B3LYP/TZVP method/basis set combination. The calculated hyperfine coupling constants were found to be in good agreement with the observed EPR parameters. The experimental and theoretically simulated spectra for each of the three crystallographic axes were well matched with one of the modeled radicals (discussed in the text). We thus identified the radical C˙H2CH2 P(C 6H5)3 Cl as a paramagnetic species produced in a single crystal of the title compound in two magnetically distinct sites. The experimental g-factor and hyperfine coupling constants of the radical were found to be anisotropic, with the isotropic values g iso = 2.0032, ? G, ? G, ? G and ? G for site 1 and g iso=2.0031, ? G, ? G ? G and ? G for site 2.
Polarized optical absorption and photoluminescence measurements in single-crystal thin films of 4'-dimethylamino-N-methyl-4-stilbazolium tosylate

NASA Astrophysics Data System (ADS)

Bhowmik, Achintya K.; Xu, Jianjun; Thakur, Mrinal

1999-11-01

Single-crystal thin films of the anhydrous (red) and the hydrated (orange) phases of the organic salt 4'-dimethylamino-N-methyl-4-stilbazolium tosylate were grown by a modification of the shear method. The optical absorption coefficients of the films were measured with light polarized along and normal to the dipole/molecular axis at both resonant and off-resonant wavelengths, and a strong dichroism was observed at the resonant wavelengths. The absorption measurements are important considering potential applications of these films (red phase) in high-speed single-pass thin-film electro-optic modulators [M. Thakur, J. Xu, A. Bhowmik, and L. Zhou, Appl. Phys. Lett. 74, 635 (1999)] and other photonic devices. Highly polarized photoluminescence (PL) has been observed in these films. The PL efficiencies of the red- and orange-phase single-crystal films were measured to be about 12% and 14%, respectively, which are significantly higher than the maximum PL efficiency measured in solution (3%).
Magnetic and transport properties of layered LixCoO2 single crystals

NASA Astrophysics Data System (ADS)

Miyoshi, Kiyotaka; Kondo, Hiroaki; Miura, Motonobu; Iwai, Chika; Fujiwara, Kenji; Takeuchi, Jun

2009-03-01

Electrical resistivity (ρ) and DC magnetization (M) have been measured as a function of temperature (T) for layered LixCoO2 (x = 0.92, 0.47 and 0.42) single crystals, which are obtained by deintercalating Li from single crystals grown in a floating-zone furnace through immersion in NO2BF4/CH3CN solution. The ρ—T curve for x = 0.92 is found to be insulating but a metallic behavior is observed for x = 0.47 and 0.42. The M—T curve both for x = 0.47 and 0.42 exhibits a sudden decrease below Ts~170 K. Also, the ρ—T curve both for x = 0.47 and 0.42 shows a jump-like anomaly at Ts~170 K with thermal hysteresis, indicating a first-order phase transition. These behaviors of the M—T and ρ—T curve suggest an occurrence of spin state transition of Co+4 at ~170 K. Furthermore, the M—T curve after rapid cooling becomes different from that after slow cooling below TF. TF depends on x and appears to correspond to the temperature at which the motional narrowing of the 7Li NMR line width is observed, suggesting that the Li ions are released from the regular site of the rigid lattice and begin to diffuse above TF.
Non linear optical studies on semiorganic single crystal: L-arginine 4-nitrophenalate 4-nitrophenol dihydrate (LAPP)

NASA Astrophysics Data System (ADS)

Mahadevan, M.; Sankar, P. K.; Vinitha, G.; Arivanandhan, M.; Ramachandran, K.; Anandan, P.

2017-07-01

L-arginine 4-nitrophenalate 4-nitrophenol dihydrate (LAPP) has been synthesized and grown by solution growth at room temperature using deionized water as a solvent. The various functional groups of the sample were identified by Fourier transform infra-red and Fourier transforms - Raman spectroscopic analyses. The Laser damage threshold of LAPP has been studied. Refractive index of LAPP single crystal was measured using Metricon prism coupler Instrument. The etching studies were carried out to study the quality of the grown crystals. The third order nonlinear optical properties of LAPP sample was analyzed by the Z-scan technique using 532 nm diode pumped CW Nd: YAG laser. The LAPP material exhibits negative optical nonlinearity. The results show that LAPP sample has potential applications in nonlinear optics and it can be exploited for optical limiting or switching.
Synthesis, growth, structural, spectral, thermal, chemical etching, linear and nonlinear optical and mechanical studies of an organic single crystal 4-chloro 4-nitrostilbene (CONS): a potential NLO material.

PubMed

Dinakaran, Paul M; Kalainathan, S

2013-07-01

4-Chloro 4-nitrostilbene (CONS) a new organic nonlinear optical material has been synthesized. Employing slow evaporation method, good optical quality single crystals (dimensions up to 6×2×3 mm(3)) have been grown using ethyl methyl ketone (EMK) as a solvent. The grown crystals have been subjected to various characterizations such as single crystal X-ray diffraction, powder XRD, Fourier Transform Infrared spectroscopy (FTIR), proton NMR, solid UV absorption, SHG studies. Single crystal X-ray diffraction reveals that the crystal system belongs to monoclinic with noncentrosymmetric space group P21. The UV-Vis absorption spectrum has been recorded and found that the cut off wavelength is 380 nm. Functional groups and the structure of the title compound have been confirmed by FTIR and (1)H NMR spectroscopic analyses respectively. Molecular mass of the CONS confirmed by the high resolution mass spectral analysis .The thermal behavior of the grown crystal has been studied by TG/DTA analysis and it shows the melting point is at 188.66 °C. Dislocations and growth pattern present in the grown crystal revealed by the etching study. The mechanical strength of the CONS crystal has been studied by Vicker's hardness measurement. The SHG efficiency of the grown crystal has been determined by Kurtz and Perry powder test which revealed that the CONS crystal (327 mV) has 15 times greater efficiency than that of KDP (21.7 mV). Copyright © 2013 Elsevier B.V. All rights reserved.
Modification of defects and potential fluctuations in slow-cooled and quenched Cu2ZnSnSe4 single crystals

NASA Astrophysics Data System (ADS)

Bishop, Douglas M.; McCandless, Brian; Gershon, Talia; Lloyd, Michael A.; Haight, Richard; Birkmire, Robert

2017-02-01

Recent literature reports have shown the ability to manipulate Cu-Zn cation ordering for Cu2ZnSnSe4 (CZTSe) via low temperature treatments. Theoretical arguments suggest that one of the major roadblocks to higher VOC—significant band tailing—could be improved with increased cation order; however, few direct measurements have been reported and significant device improvements have not yet been realized. This report investigates electrical properties, defects, and devices from quenched and slow-cooled single crystals of CZTSe. The extent of disorder was characterized by Raman spectroscopy as well as x-ray diffraction, where the change in Cu-Zn order can be detected by a changing c/a ratio. Quenched samples show higher acceptor concentrations, lower hole mobilities, and a lower-energy photoluminescence (PL) peak than crystals cooled at slower rates, consistent with a reduction in the bandgap. In addition, samples quenched at the highest temperatures showed lower PL yield consistent with higher quantities of deep defects. Devices fabricated using slow-cooled CZTSe single crystals showed improved efficiencies, most notably with increased VOC; however, low temperature intensity-dependent photoluminescence measurements continue to indicate the existence of potential fluctuations. We discuss the possibility that potential fluctuations in slow-cooled samples may be related to the inability to achieve a long range order of the Cu-Zn sub-lattice resulting in local regions of high and low levels of cation order, and consequent local variations in the bandgap. The presence of significant potential fluctuations, even after the slow-cooling step, suggests the difficulty in eliminating band-tailing in this system, and thus, additional approaches may be needed for significant reduction of the VOC deficit.
Optical properties of Mn 2+ in KCaF 3 single crystal

NASA Astrophysics Data System (ADS)

Mazurak, Z.; Ratuszna, A.; Daniel, Ph.

1999-02-01

It is known that the spectroscopic properties of 3d impurities in crystals are very sensitive to the environment of the ion and can be changed considerably by using different matrices. The crystal structure of KCaF 3 has been previously determined by the Rietveld profile method. At room temperature, KCa 1- xMn xF 3 ( x<0.1) crystallizes in monoclinic C2 h ( B2 1/ m) symmetry. The local geometries around Mn 2+ in this crystals, in their ground and excited states, are the primary properties that govern the spectroscopic behavior of these systems, which enjoy of fundamental and technological interest. The present work reports the absorption and luminescence spectra of the Mn 2+-doped KCaF 3 (fluoroperovskite). The luminescence spectra recorded over a range of temperatures are dominated by wide bands, corresponding to the 4T 1(G)→ 6A 1(G), Mn 2+ transition. The lifetime ( τ= f( T)) of the first excited state 4T 1(G) was measured as a function of temperature. The lifetime of the Mn 2+ emission, in this crystal have been found to be temperature independent ( τ<7 μs). The absorption and emission spectra of Mn 2+ (3d 5) in KCaF 3 are analyzed using a C4 crystal-field hamiltonian. The calculated energy levels are in good agreement with those obtained experimentally. The resulting crystal-field parameters Bnm are a good representation of the crystal-field interactions of Mn 2+ in KCaF 3.
Synthesis, characterization and crystal structure of (2RS,4R)-2-(2-hydroxy-3-methoxyphenyl)thiazolidine-4-carboxylic acid

NASA Astrophysics Data System (ADS)

Muche, Simon; Müller, Matthias; Hołyńska, Małgorzata

2018-03-01

The condensation reaction of ortho-vanillin and L-cysteine leads to formation of a racemic mixture of (2RS,4R)-2-(2-hydroxy-3-methoxyphenyl)thiazolidine-4-carboxylic acid and not, as reported in the available literature, to a Schiff base. The racemic mixture was fully characterized by 1D and 2D NMR techniques, ESI-MS and X-ray diffraction. Addition of ZnCl2 led to formation of crystals in form of colorless needles, suitable for X-ray diffraction studies. The measured crystals were identified as the diastereomer (2R,4R)-2-(2-hydroxy-3-methoxyphenyl)thiazolidine-4-carboxylic acid 1. The bulk material is racemic. Thiazolidine exists as zwitterion in solid state, as indicated by the crystal structure.
Acousto-optic interaction in alpha-BaB(2)O(4)and Li(2)B(4)O(7) crystals.

PubMed

Martynyuk-Lototska, Irina; Mys, Oksana; Dudok, Taras; Adamiv, Volodymyr; Smirnov, Yevgen; Vlokh, Rostyslav

2008-07-01

Experimental studies and analysis of acousto-optic diffraction in alpha-BaB(2)O(4) and Li(2)B(4)O(7) crystals are given. Ultrasonic wave velocity, elastic compliance and stiffness coefficients, and piezo-optic and photoelastic coefficients of alpha-BaB(2)O(4) and Li(2)B(4)O(7) crystals are determined. The acousto-optic figure of merit has been estimated for different possible geometries of acousto-optic interaction. It is shown that the acousto-optic figures of merit for alpha-BaB(2)O(4) crystals reach the value M(2)=(270 +/- 70) x 10(-15) s(3)/kg for the case of interaction with the slowest ultrasonic wave. The directions of propagation and polarization of those acoustic waves are obtained on the basis of construction of acoustic slowness surfaces. The acousto-optic diffraction is experimentally studied for alpha-BaB(2)O(4) and Li(2)B(4)O(7) crystals.
Valence-band and core-level photoemission study of single-crystal Bi2CaSr2Cu2O8 superconductors

NASA Astrophysics Data System (ADS)

Shen, Z.-X.; Lindberg, P. A. P.; Wells, B. O.; Mitzi, D. B.; Lindau, I.; Spicer, W. E.; Kapitulnik, A.

1988-12-01

High-quality single crystals of Bi2CaSr2Cu2O8 superconductors have been prepared and cleaved in ultrahigh vacuum. Low-energy electron diffraction measurements show that the surface structure is consistent with the bulk crystal structure. Ultraviolet photoemission and x-ray photoemission experiments were performed on these well-characterized sample surfaces. The valence-band and the core-level spectra obtained from the single-crystal surfaces are in agreement with spectra recorded from polycrystalline samples, justifying earlier results from polycrystalline samples. Cu satellites are observed both in the valence band and Cu 2p core level, signaling the strong correlation among the Cu 3d electrons. The O 1s core-level data exhibit a sharp, single peak at 529-eV binding energy without any clear satellite structures.
Synthesis, crystal structure analysis, spectral investigations, DFT computations, Biological activities and molecular docking of methyl(2E)-2-{[N-(2-formylphenyl)(4-methylbenzene) sulfonamido]methyl}-3-(4-fluorophenyl)prop-2-enoate, a potential bioactive agent

NASA Astrophysics Data System (ADS)

Murugavel, S.; Vetri Velan, V.; Kannan, Damodharan; Bakthadoss, Manickam

2016-03-01

The title compound methyl(2E)-2-{[N-(2-formylphenyl) (4-methylbenzene)sulfonamido]methyl}-3-(4-fluorophenyl) prop-2-enoate (MFMSF) has been synthesized and single crystals were grown by slow evaporation solution growth technique at room temperature. The grown crystals were characterized by FTIR, 1H NMR, 13C NMR, and single crystal X-ray diffraction. In the crystal, molecules are linked by intermolecular C-H…O hydrogen bonds forming a two-dimensional supramolecular network along [110] direction. The molecular geometry was also optimized using density functional theory (DFT/B3LYP) method with the 6-311G (d,p) basis set in ground state and compared with the experimental data. The entire vibrational assignments of wave numbers were made on the basis of potential energy distribution (PED) by VEDA 4 programme. Stability of the molecule arising from hyper conjugative interactions, charge delocalization has been analyzed using natural bond orbital (NBO) analysis. In addition, NLO, MEP, Mulliken, thermodynamic properties, HOMO and LUMO energy gap were theoretically predicted. The global chemical reactivity descriptors are calculated for MFMSF and used to predict their relative stability and reactivity. The antibacterial activity of the compound was also tested against various pathogens. The molecular docking studies concede that title compound may exhibit PBP-2X inhibitor activity.
The magnetic and crystal structures of Sr2IrO4: A neutron diffraction study

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

Ye, Feng; Chi, Songxue; Chakoumakos, Bryan C

2013-01-01

We report a single-crystal neutron diffraction study of the layered Sr2IrO4. This work unambigu- ously determines the magnetic and crystal structures, and reveals that the spin orientation rigidly tracks the staggered rotation of the IrO6 octahedra in Sr2IrO4. The long-range antiferromagnetic order has a canted spin configuration with an ordered moment of 0.208(3) B/Ir site within the basal plane; a detailed examination of the spin canting yields 0.202(3) and 0.049(2) B/site for the a-axis and the b-axis, respectively. It is intriguing that forbidden nuclear reflections of space group I41/acd are also observed in a wide temperature range from 4 Kmore » to 600 K, which suggests a reduced crystal structure symmetry. This neutron scattering work provides a direct, well-refined experimen- tal characterization of the magnetic and crystal structures that are crucial to the understanding of the unconventional magnetism existent in this unusual magnetic insulator.« less
Tunable photoluminescence properties of Ca{sub 8}NaLa(PO{sub 4}){sub 6}F{sub 2}:Eu{sup 2+},Mn{sup 2+} phosphor under UV excitation

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

Zhang, Fen; Lan, Tong; Tang, Wanjun, E-mail: tangmailbox@126.com

2015-04-15

Highlights: • Ca{sub 8}NaLa(PO{sub 4}){sub 6}F{sub 2}:Eu{sup 2+},Mn{sup 2+} was prepared by a combustion-assisted synthesis method. • The phosphor presents blue and yellow double color emissions. • Efficient energy transfer from Eu{sup 2+} to Mn{sup 2+} in this phosphor is observed obviously. • White emitting was realized in Ca{sub 8}NaGd(PO{sub 4}){sub 6}F{sub 2}:0.10Eu{sup 2+},0.32Mn{sup 2+},0.10B phosphor. - Abstract: A series of Eu{sup 2+} and Mn{sup 2+} coactivated Ca{sub 8}NaLa(PO{sub 4}){sub 6}F{sub 2} (CNLF) phosphors have been synthesized by a combustion-assisted synthesis method. The investigation revealed that Ca{sub 8}NaLa(PO{sub 4}){sub 6}F{sub 2} crystallized in a hexagonal crystal system with the spacemore » group P6{sub 3}/m (176). The Eu{sup 2+} activated phosphors can be efficiently excited in the range of 270–400 nm and give intense blue emission peaking at 451 nm. By codoping the Eu{sup 2+} and Mn{sup 2+} ions into the CNLF host and singly varying the doping content of the Mn{sup 2+} ion, tunable colors from blue to white and eventually to yellow are obtained in CNLF:Eu{sup 2+},Mn{sup 2+} phosphors under the irradiation of 330 nm. The energy transfer from Eu{sup 2+} to Mn{sup 2+} in CNLF:Eu{sup 2+},Mn{sup 2+} has been demonstrated to be a resonant type via a dipole–dipole mechanism and the critical distance of energy transfer from Eu{sup 2+} to Mn{sup 2+} was estimated to be about 11.9 Å. The investigation indicates that the obtained samples might have potential application in white LEDs.« less
Luminescence properties and scintillation response in Ce3+-doped Y2Gd1Al5-xGaxO12 (x = 2, 3, 4) single crystals

NASA Astrophysics Data System (ADS)

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

2014-08-01

The compositional dependence of luminescence properties and scintillation response were investigated in Ce3+-doped Y2Gd1Al5-xGaxO12 (x = 2, 3, 4) single crystals. The Gd3+ → Ce3+ energy transfer was evidenced by photoluminescence excitation spectra of Ce3+ emission. With increasing Ga content in the garnet host, the Ce3+ luminescence from the lowest 5d level (5d1) is shifted toward higher energy due to the decrease in the crystal field splitting of the 5d levels. Light yield (LY) and its dependence on the amplifier shaping time were measured under excitation with γ-rays. High LY value of ˜38 000 ph/MeV was obtained for a Y2Gd1Al3Ga2O12:Ce sample. Scintillation decay was measured with an extended dynamical and temporal scale under the nanosecond pulse soft X-ray excitation. The decrease of both LY value and relative contribution of slower decay component in the scintillation response was observed with increasing Ga content in the garnet host.
Anisotropic upper critical fields up to 63 T in CaKFe 4As 4 single crystals

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

Kong, T.; Balakirev, Fedor Fedorovich; Meier, W. R.

2017-02-13

The discovery of Fe-based superconductors (FBS) has intensified research on mechanisms of hightemperature superconductivity as well as searches for materials with higher superconducting transition temperatures, Tc. Among many different classes of FBS, the so called “122” family is one of the most well studied systems. However, superconductivity in “122” systems is often stabilized via chemical substitution, which inevitably invites chemical disorder. Recently, a new compound, CaKFe 4As 4, with a well ordered structure that is essentially composed of alternating “122” layers, was discovered with a T c of 35 K. We were able to perform the first single crystal studymore » and measured the anisotropic upper critical fields, H c2, up to 63 T.« less
Single crystal X- and Q-band EPR spectroscopy of a binuclear Mn(2)(III,IV) complex relevant to the oxygen-evolving complex of photosystem II.

PubMed

Yano, Junko; Sauer, Kenneth; Girerd, Jean-Jacques; Yachandra, Vittal K

2004-06-23

The anisotropic g and hyperfine tensors of the Mn di-micro-oxo complex, [Mn(2)(III,IV)O(2)(phen)(4)](PF(6))(3).CH(3)CN, were derived by single-crystal EPR measurements at X- and Q-band frequencies. This is the first simulation of EPR parameters from single-crystal EPR spectra for multinuclear Mn complexes, which are of importance in several metalloenzymes; one of them is the oxygen-evolving complex in photosystem II (PS II). Single-crystal [Mn(2)(III,IV)O(2)(phen)(4)](PF(6))(3).CH(3)CN EPR spectra showed distinct resolved (55)Mn hyperfine lines in all crystal orientations, unlike single-crystal EPR spectra of other Mn(2)(III,IV) di-micro-oxo bridged complexes. We measured the EPR spectra in the crystal ab- and bc-planes, and from these spectra we obtained the EPR spectra of the complex along the unique a-, b-, and c-axes of the crystal. The crystal orientation was determined by X-ray diffraction and single-crystal EXAFS (Extended X-ray Absorption Fine Structure) measurements. In this complex, the three crystallographic axes, a, b, and c, are parallel or nearly parallel to the principal molecular axes of Mn(2)(III,IV)O(2)(phen)(4) as shown in the crystallographic data by Stebler et al. (Inorg. Chem. 1986, 25, 4743). This direct relation together with the resolved hyperfine lines significantly simplified the simulation of single-crystal spectra in the three principal directions due to the reduction of free parameters and, thus, allowed us to define the magnetic g and A tensors of the molecule with a high degree of reliability. These parameters were subsequently used to generate the solution EPR spectra at both X- and Q-bands with excellent agreement. The anisotropic g and hyperfine tensors determined by the simulation of the X- and Q-band single-crystal and solution EPR spectra are as follows: g(x) = 1.9887, g(y) = 1.9957, g(z) = 1.9775, and hyperfine coupling constants are A(III)(x) = |171| G, A(III)(y) = |176| G, A(III)(z) = |129| G, A(IV)(x) = |77| G, A
Studies on the self-catalyzed Knoevenagel condensation, characterization, DPPH radical scavenging activity, cytotoxicity, and molecular properties of 5-arylidene-2,2-dimethyl-1,3-dioxane-4,6-diones using single crystal XRD and DFT techniques

NASA Astrophysics Data System (ADS)

Suresh Kumar, G. S.; Antony Muthu Prabhu, A.; Bhuvanesh, N.

2014-10-01

We have studied the self-catalyzed Knoevenagel condensation, spectral characterization, DPPH radical scavenging activity, cytotoxicity, and molecular properties of 5-arylidene-2,2-dimethyl-1,3-dioxane-4,6-diones using single crystal XRD and DFT techniques. In the absence of any catalyst, a series of novel 5-arylidene-2,2-dimethyl-1,3-dioxane-4,6-diones were synthesized using Meldrum’s acid and formylphenoxyaliphatic acid(s) in water. These molecules are arranged in the dimer form through intermolecular H-bonding in the single crystal XRD structure. Compounds have better DPPH radical scavenging activity and cytotoxicity against A431 cancer cell line. The optimized molecular structure, natural bond orbital analysis, electrostatic potential map, HOMO-LUMO energies, molecular properties, and atomic charges of these molecules have been studied by performing DFT/B3LYP/3-21G(*) level of theory in gas phase.
Synthesis, growth, structural, optical, spectral, thermal and mechanical studies of 4-methoxy 4-nitrostilbene (MONS): a new organic nonlinear optical single crystal.

PubMed

Dinakaran, Paul M; Bhagavannarayana, G; Kalainathan, S

2012-11-01

4-Methoxy 4-nitrostilbene (MONS), a new organic nonlinear optical material has been synthesized. Based on the solubility data good quality single crystal with dimensions up to 38×11×3 mm(3) has been grown by slow evaporation method using ethyl methyl ketone (MEK) as a solvent. Powder XRD confirms the crystalline property and also the diffraction planes have been indexed. The lattice parameters for the grown MONS crystals were determined by using single crystal X-ray diffraction analysis and it reveals that the crystal lattice system is triclinic. The crystalline perfection of the grown crystals has been analysed by high resolution X-ray diffraction (HRXRD) rocking curve measurements. Fourier transform infrared (FTIR) spectrum for powdered MONS sample confirms the functional groups present in the grown crystal. The UV-vis absorption spectrum has been recorded in the range of 190-1100 nm and the cut off wavelength 499 nm has been determined. The optical constants of MONS have been determined through UV-vis-NIR spectroscopy. The MONS crystals were further subjected to other characterizations. i.e., (1)H NMR, TG/DTA, photoluminescence and microhardness test. The Kurtz and Perry powder technique confirms the NLO property of the grown crystal and the SHG efficiency of MONS was found to be 1.55× greater than that of KDP crystal. Copyright © 2012 Elsevier B.V. All rights reserved.
Synthesis, crystal structure determination and antiproliferative activity of novel 2-amino-4-aryl-4,10-dihydro[1,3,5]triazino[1,2- a]benzimidazoles

NASA Astrophysics Data System (ADS)

Hranjec, Marijana; Pavlović, Gordana; Karminski-Zamola, Grace

2012-01-01

This manuscript describes the synthesis of novel 2-amino-4-aryl-4,10-dihydro-[1,3,5]triazino[1,2- a]benzimidazoles as hydrochloride salts 4a-n and 5b which were prepared in the reaction of cyclocondensation between 2-guanidinobenzimidazole and versatile heteroaromatic aldehydes. Structures of all prepared compounds have been studied by using 1H and 13C NMR, IR and UV/Vis spectroscopy. The crystal and molecular structure of 4f was determined by X-ray diffraction on single crystals. The molecule of 2-amino-4-(4'-methylphenyl)-4,10-dihydro[1,3,5]triazino[1,2- a]benzimidazole hydrochloride 4f (C 16H 16N 5+·Cl -) exists in the solid state in one of the possible tautomeric forms, being protonated at the one of the nitrogen atoms of the 1,4-dihydrotriazine ring. The molecule is highly delocalized within the 4,10-dihydro[1,3,5]triazino[1,2- a]benzimidazole moiety with the highest deviation from the plane for the methine carbon atom and the protonated nitrogen atom of the 1,4-dihydrotriazine ring. The cations are joined via N-H⋯N hydrogen bonds into R22(8) centrosymmetric dimers. Cation dimers are further connected with Cl - ions via N-H⋯Cl and C-H⋯Cl hydrogen bonds into 2D chains spreading along the b axis. The obtained single-crystal X-ray structure determination unequivocally confirms tautomeric form of the compound present in the solid-state and can represent tantative pattern for other prepared compounds. All prepared compounds were tested on their antiproliferative activity in vitro on several human cancer cell lines. Compound 4m was the most active one (IC 50 ≈ 20 μM), while compounds 4d, 4f, 4k, 4l4m showed moderate, but non-selective, antiproliferative activity with IC 50 25-60 μM.
Fe-Al alloy single-crystal thin film preparation for basic magnetic measurements

NASA Astrophysics Data System (ADS)

Abe, Tatsuya; Kawai, Tetsuroh; Futamoto, Masaaki; Ohtake, Mitsuru; Inaba, Nobuyuki

2018-04-01

Fe100-xAlx (x = 0, 4, 10, 20, 30 at. %) alloy films of 40 nm thickness are prepared on MgO(001) single-crystal substrates by varying substrate temperature from room temperature to 600 °C. Single-crystal films of (001) orientation with bcc-based disordered A2 structure are obtained for the Al content range of x = 0 - 20 at. %. An ordered phase of DO3 structure is observed in Fe70Al30 films prepared at temperatures higher than 200 °C, whereas (001) oriented single-crystal films of A2 structure are obtained when prepared at room temperature. The film surface profile does not depend much on the film composition, while the surface roughness increases with increasing substrate temperature. Island-like crystals are observed for films prepared at 600°C for all compositions. Difference in lattice spacing measured parallel and perpendicular to the substrate is noted for the single-crystal thin films and it increases with increasing Al content. The lattice strain in single-crystal film is caused possibly to accommodate the lattice mismatch with the MgO substrate. The (001)-oriented single-crystal films with A2 structure show four-fold symmetries in in-plane magnetic anisotropy with the easy magnetization axis A2[100] and the hard magnetization axis A2[110], whereas the films with DO3 ordered structure show almost isotropic magnetic properties.

Studies on 2-amino-5-nitropyridinium nitrate (2A5NPN): A semi-organic third order nonlinear optical single crystal

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

Sivasubramani, V.; Pandian, Muthu Senthil, E-mail: senthilpandianm@ssn.edu.in; Ramasamy, P.

2016-05-23

2-amino-5-nitropyridinium nitrate (2A5NPN) is a semi-organic nonlinear optical crystal and optically good quality 2A5NPN single crystals were successfully grown by slow evaporation solution growth technique (SEST) at ambient temperature. The crystallographic structure of the grown crystal was determined by single crystal X-Ray diffraction analysis and it belongs to Monoclinic crystal system with centro symmetric crystalline nature. The crystallinity of the grown crystal was confirmed by powder X-ray diffraction analysis. The other physical properties of grown crystals are also characterized using TG-DTA, UV-Visible NIR, chemical etching, photoconductivity and Z-scan measurements. The Z-scan method reveals that the 2A5NPN crystal possesses multi photonmore » absorption behaviour and the significantly higher third order susceptibility and it is a promising potential NLO material.« less
Growth of 1.5-In Eu : SrI2 Single Crystal and Scintillation Properties

NASA Astrophysics Data System (ADS)

Yokota, Yuui; Ito, Tomoki; Yasuhiro, Shoji; Kurosawa, Shunsuke; Ohashi, Yuji; Kamada, Kei; Yoshikawa, Akira

2016-04-01

We grew 1.5-in Eu doped SrI2 (Eu : SrI2) bulk single crystal by a modified vertical Bridgman (VB) method using a removable chamber and high-frequency induction heating. Asgrown 1.5-in Eu : SrI2 bulk single crystal had no visible crack and inclusion in the crystal. In the transmittance and α-ray radioluminescence spectra, large absorption below 433 nm and emission peak at 433 nm were observed, respectively. Each polished Eu : SrI2 specimen indicated 56 000 62 000 ph/MeV light yield and 3.3 3.9% energy resolution. The decay times of the specimens were 0.61 0.67 μs.
Antiferromagnetism in semiconducting SrMn2Sb2 and BaMn2Sb2 single crystals

NASA Astrophysics Data System (ADS)

Sangeetha, N. S.; Smetana, V.; Mudring, A.-V.; Johnston, D. C.

2018-01-01

Crystals of SrMn2Sb2 and BaMn2Sb2 were grown using Sn flux and characterized by powder and single-crystal x-ray diffraction, respectively, and by single-crystal electrical resistivity ρ , heat capacity Cp, and magnetic susceptibility χ measurements versus temperature T , and magnetization versus field M (H ) isotherm measurements. SrMn2Sb2 adopts the trigonal CaAl2Si2 -type structure, whereas BaMn2Sb2 crystallizes in the tetragonal ThCr2Si2 -type structure. The ρ (T ) data indicate semiconducting behaviors for both compounds with activation energies of ≳0.35 eV for SrMn2Sb2 and 0.16 eV for BaMn2Sb2 . The χ (T ) and Cp(T ) data reveal antiferromagnetic (AFM) ordering at TN = 110 K for SrMn2Sb2 and 450 K for BaMn2Sb2 . The anisotropic χ (T ≤TN) data also show that the ordered moments in SrMn2Sb2 are aligned in the hexagonal a b plane, whereas the ordered moments in BaMn2Sb2 are aligned collinearly along the tetragonal c axis. The a b -plane M (H ) data for SrMn2Sb2 exhibit a continuous metamagnetic transition at low fields 0 2Sb2 exhibits no metamagnetic transitions up to 5.5 T. The χ (T ) and C p(T ) data for both SrMn2Sb2 and BaMn2Sb2 indicate strong dynamic short-range AFM correlations above their respective TN up to at least 900 K within a local-moment picture, corresponding to quasi-two-dimensional magnetic behavior. The present results and a survey of the literature for Mn pnictides with the CaAl2Si2 and ThCr2Si2 crystal structures show that the TN values for the CaAl2Si2 -type compounds are much smaller than those for the ThCr2Si2 -type materials.
Crystal growth of triphenylphosphine oxide 4-nitrophenol (TP4N) for nonlinear optical (NLO) applications

NASA Astrophysics Data System (ADS)

Pandian, Muthu Senthil; Karuppasamy, P.; Kamalesh, T.; Ramasamy, P.; Verma, Sunil

2018-04-01

The optically good quality organic single crystals of triphenylphosphine oxide 4-nitrophenol (TP4N) were successfully grown by slow evaporation solution technique (SEST) using methanol as solvent. The lattice parameters of the grown crystal were confirmed by single crystal X-ray diffraction analysis. The optical transmittance, cut-off wavelength and band gap of the TP4N crystal were obtained by UV-Vis NIR spectrum analysis. The photoluminescence studies were carried out to find out the luminesce properties of TP4N single crystal. The photoconductivity studies reveal that the TP4N crystal has negative photoconductive nature. The third order nonlinear susceptibility (χ(3)) of TP4N crystal was evaluated using the Z-scan technique at 640 nm.
Antiferromagnetism in semiconducting SrMn 2 Sb 2 and BaMn 2 Sb 2 single crystals

DOE PAGES

Sangeetha, N. S.; Smetana, V.; Mudring, A. -V.; ...

2018-01-03

Here, crystals of SrMn 2Sb 2 and BaMn 2Sb 2 were grown using Sn flux and characterized by powder and single-crystal x-ray diffraction, respectively, and by single-crystal electrical resistivity ρ, heat capacity C p, and magnetic susceptibility χ measurements versus temperature T, and magnetization versus field M(H) isotherm measurements. SrMn 2Sb 2 adopts the trigonal CaAl 2Si 2-type structure, whereas BaMn 2Sb 2 crystallizes in the tetragonal ThCr 2Si 2-type structure. The ρ(T) data indicate semiconducting behaviors for both compounds with activation energies of ≳0.35 eV for SrMn 2Sb 2 and 0.16 eV for BaMn 2Sb 2. The χ(T) andmore » C p(T) data reveal antiferromagnetic (AFM) ordering at T N = 110 K for SrMn 2Sb 2 and 450 K for BaMn 2Sb 2. The anisotropic χ(T≤T N) data also show that the ordered moments in SrMn 2Sb 2 are aligned in the hexagonal ab plane, whereas the ordered moments in BaMn 2Sb 2 are aligned collinearly along the tetragonal c axis. The ab-plane M(H) data for SrMn 2Sb 2 exhibit a continuous metamagnetic transition at low fields 02Sb 2 exhibits no metamagnetic transitions up to 5.5 T. The χ(T) and C p(T) data for both SrMn 2Sb 2 and BaMn 2Sb 2 indicate strong dynamic short-range AFM correlations above their respective T N up to at least 900 K within a local-moment picture, corresponding to quasi-two-dimensional magnetic behavior. The present results and a survey of the literature for Mn pnictides with the CaAl 2Si 2 and ThCr 2Si 2 crystal structures show that the T N values for the CaAl 2Si 2-type compounds are much smaller than those for the ThCr 2Si 2-type materials.« less
RNi2B2C (R = Ho, Dy, Tb and Pr) single crystals grown by the cold copper crucible method

NASA Astrophysics Data System (ADS)

Durán, A.; Munoz, E.; Bernès, S.; Escudero, R.

2000-08-01

Single crystals of RNi2B2C (R = Ho, Dy, Tb, Pr) have been grown on cold copper crucibles in a high-frequency induction furnace. As a result, shiny metallic and brittle platelike single crystals were obtained. They were examined by x-ray and scanning electron microscopy with WDX/EDX for local composition analysis and show a very good crystallographic structure and compositions. Resistivity and dc magnetic measurements were performed to study superconducting and magnetic properties. Besides known electronic properties of the RNi2B2C family, we report for the first time results for PrNi2B2C single crystals successfully obtained by this technique.
Oxygen trapped by rare earth tetrahedral clusters in Nd4FeOS6: Crystal structure, electronic structure, and magnetic properties

NASA Astrophysics Data System (ADS)

Lin, Qisheng; Taufour, Valentin; Zhang, Yuemei; Wood, Max; Drtina, Thomas; Bud'ko, Sergey L.; Canfield, Paul C.; Miller, Gordon J.

2015-09-01

Single crystals of Nd4FeOS6 were grown from an Fe-S eutectic solution. Single crystal X-ray diffraction analysis revealed a Nd4MnOSe6-type structure (P63mc, a=9.2693(1) Å, c=6.6650(1)Å, V=495.94(1) Å3, Z=2), featuring parallel chains of face-sharing [FeS6×1/2]4- trigonal antiprisms and interlinked [Nd4OS3]4+ cubane-like clusters. Oxygen atoms were found to be trapped by Nd4 clusters in the [Nd4OS3]4+ chains. Structural differences among Nd4MnOSe6-type Nd4FeOS6 and the related La3CuSiS7- and Pr8CoGa3-type structures have been described. Magnetic susceptibility measurements on Nd4FeOS6 suggested the dominance of antiferromagnetic interactions at low temperature, but no magnetic ordering down to 2 K was observed. Spin-polarized electronic structure calculations revealed magnetic frustration with dominant antiferromagnetic interactions.
Synthesis, growth, crystal structure, optical and third order nonlinear optical properties of quinolinium derivative single crystal: PNQI

NASA Astrophysics Data System (ADS)

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.
Nonexponential London Penetration Depth of FeAs-Based Superconducting RFeAsO[subscript 0.9]F[subscript 0.1] (R=La, Nd) Single Crystals

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

Martin, C.; Tillman, M.E.; Kim, H.

2009-07-31

The superconducting penetration depth {lambda}(T) has been measured in RFeAsO{sub 0.9}F{sub 0.1} (R=La, Nd) single crystals (R-1111). In Nd-1111, we find an upturn in {lambda}(T) upon cooling and attribute it to the paramagnetism of the Nd ions, similar to the case of the electron-doped cuprate Nd-Ce-Cu-O. After the correction for paramagnetism, the London penetration depth variation is found to follow a power-law behavior, {Delta}{lambda}L(T) {proportional_to} T{sup 2} at low temperatures. The same T{sup 2} variation of {lambda}(T) was found in nonmagnetic La-1111 crystals. Analysis of the superfluid density and of penetration depth anisotropy over the full temperature range is consistentmore » with two-gap superconductivity. Based on this and on our previous work, we conclude that both the RFeAsO (1111) and BaFe{sub 2}As{sub 2} (122) families of pnictide superconductors exhibit unconventional two-gap superconductivity.« less
Magnetic spherical cores partly coated with periodic mesoporous organosilica single crystals.

PubMed

Li, Jing; Wei, Yong; Li, Wei; Deng, Yonghui; Zhao, Dongyuan

2012-03-07

Core-shell structured materials are of special significance in various applications. Until now, most reported core-shell structures have polycrystalline or amorphous coatings as their shell layers, with popular morphologies of microspheres or quasi-spheres. However, the single crystals, either mesoscale or atomic ones, are still rarely reported as shell layers. If single crystals can be coated on core materials, it would result in a range of new type core-shell structures with various morphologies, and probably more potential applications. In this work, we demonstrate that periodic mesoporous organosilica (PMO) single crystals can partly grow on magnetic microspheres to form incomplete Fe(3)O(4)@nSiO(2)@PMO core-shell materials in aqueous solution, which indeed is the first illustration that mesoporous single-crystal materials can be used as shell layers for preparation of core-shell materials. The achieved materials have advantages of high specific surface areas, good magnetic responses, embedded functional groups and cubic mesopore channels, which might provide them with various application conveniences. We suppose the partial growth is largely decided by the competition between growing tendency of single crystals and the resistances to this tendency. In principle, other single crystals, including a range of atomic single crystals, such as zeolites, are able to be developed into such core-shell structures.
Ultratough single crystal boron-doped diamond

DOEpatents

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

2015-05-05

The invention relates to a single crystal boron doped CVD diamond that has a toughness of at least about 22 MPa m.sup.1/2. The invention further relates to a method of manufacturing single crystal boron doped CVD diamond. The growth rate of the diamond can be from about 20-100 .mu.m/h.
The Growth of Berlinite (AlPO4) Single Crystals.

DTIC Science & Technology

1980-03-01

Solubility of AlPO 4 18 6. Solubility Data of Jahn and Kordes on AlPO4 19 7. AlPO 4 Seed Crystal 23 8. Tem-Pres Hydrothermal Research Unit 25 9...Since the vapor pressure of water rises rapidly with temperature, a closed hydrothermal system was used. In a seeded hydrothermal growth process, the...to investigate the hydrothermal growth of Berlinite (AlPO4 ) to determine the optimum growth conditions for large high quality crystals. Over thirty
Anisotropic physical properties of single-crystal U2Rh2Sn in high magnetic fields

NASA Astrophysics Data System (ADS)

Prokeš, K.; Gorbunov, D. I.; Reehuis, M.; Klemke, B.; Gukasov, A.; Uhlířová, K.; Fabrèges, X.; Skourski, Y.; Yokaichiya, F.; Hartwig, S.; Andreev, A. V.

2017-05-01

We report on the crystal and magnetic structures, magnetic, transport, and thermal properties of U2Rh2Sn single crystals studied in part in high magnetic fields up to 58 T. The material adopts a U3Si2 -related tetragonal crystal structure and orders antiferromagnetically below TN=25 K. The antiferromagnetic structure is characterized by a propagation vector k =(00 1/2 ) . The magnetism in U2Rh2Sn is found to be associated mainly with 5 f states. However, both unpolarized and polarized neutron experiments reveal at low temperatures in zero field non-negligible magnetic moments also on Rh sites. U moments of 0.50(2) μB are directed along the tetragonal axis while Rh moments of 0.06(4) μB form a noncollinear arrangement confined to the basal plane. The response to applied magnetic field is highly anisotropic. Above ˜15 K the easy magnetization direction is along the tetragonal axis. At lower temperatures, however, a stronger response is found perpendicular to the c axis. While for the a axis no magnetic phase transition is observed up to 58 T, for the field applied at 1.8 K along the tetragonal axis we observe above 22.5 T a field-polarized state. A magnetic phase diagram for the field applied along the c axis is presented.
Scanning Tunneling Microscopy/Spectroscopy study on Optimally Potassium Doped Single Crystal BaFe2 As 2

NASA Astrophysics Data System (ADS)

Ma, Jihua; Li, Ang; Zhang, Chenglin; Dai, Pengcheng; Pan, Shuheng

2011-03-01

The iron pnictide parent compound material can be brought into superconducting state by chemical doping. It is worthwhile to study and compare the hole- and electron-doped iron pnictides. Among the well-known family of AEFe 2 As 2 (AE=Ca, Sr, Ba), the scanning tunneling microscopy/spectroscopy study on hole-doped samples is insufficient. In this talk we will present high resolution STM/STS results on (001) surface of the optimally doped single crystal Ba 0.6 K0.4 Fe 2 As 2 (Tc ~ 37 K). With the data we will discuss the spatial variation of the superconducting energy gap.
Molecular dynamics simulation of fast particle irradiation on the single crystal CeO2

NASA Astrophysics Data System (ADS)

Sasajima, Y.; Ajima, N.; Osada, T.; Ishikawa, N.; Iwase, A.

2013-11-01

We used a molecular dynamics method to simulate structural relaxation caused by the high-energy-ion irradiation of single crystal CeO2. As the initial condition, we assumed high thermal energy was supplied to the individual atoms within a cylindrical region of nanometer-order diameter located in the center of the single crystal. The potential proposed by Inaba et al. was utilized to calculate interactions between atoms [H. Inaba, R. Sagawa, H. Hayashi, K. Kawamura, Solid State Ionics 122 (1999) 95-103]. The supplied thermal energy was first spent to change the crystal structure into an amorphous one within a short period of about 0.3 ps, then it was dissipated in the crystal. We compared the obtained results with those of computer simulations for UO2 and found that CeO2 was more stable than UO2 when supplied with high thermal energy.
Designing of luminescent GdPO4:Eu@LaPO4@SiO2 core/shell nanorods: Synthesis, structural and luminescence properties

NASA Astrophysics Data System (ADS)

Ansari, Anees A.; Labis, Joselito P.; Aslam Manthrammel, M.

2017-09-01

GdPO4:Eu3+ (core) and GdPO4:Eu@LaPO4 (core/shell) nanorods (NRs) were successfully prepared by urea based co-precipitation process at ambient conditions which was followed by coating with amorphous silica shell via the sol-gel chemical route. The role of surface coating on the crystal structure, crystallinity, morphology, solubility, surface chemistry and luminescence properties were well investigated by means of X-ray diffraction (XRD), transmission electron microscopy (TEM), energy dispersive X-ray (EDX) analysis, Fourier Transform Infrared (FTIR), UV-Vis, and photoluminescence spectroscopy. XRD pattern revealed highly purified, well-crystalline, single phase-hexagonal-rhabdophane structure of GdPO4 crystal. The TEM micrographs exhibited highly crystalline and narrow size distributed rod-shaped GdPO4:Eu3+ nanostructures with average width 14-16 nm and typical length 190-220 nm. FTIR spectra revealed characteristic infrared absorption bands of amorphous silica. High absorbance in a visible region of silica modified core/shell/Si NRs in aqueous environment suggests the high solubility along with colloidal stability. The photoluminescence properties were remarkably enhanced after growth of undoped LaPO4 layers due to the reduction of nonradiative transition rate. The advantages of presented high emission intensity and high solubility of core/shell and core/shell/Si NRs indicated the potential applications in monitoring biological events.
Single crystals of selected titanates and tungstates

NASA Technical Reports Server (NTRS)

Loiacono, G. M.

1972-01-01

The compound preparation and crystal growth of a number of mixed titanate compositions was investigated. None of the compounds studied were found to melt congruently and therefore, crystal growth was extremely difficult. Various single crystal preparation methods always resulted in mixed phases from which 1-2 mm size crystals could be separated. It is concluded from this study that before successful single crystal growth can be accomplished, a detailed study of the phase diagrams in each of the systems of interest must be completed.
Anatase TiO2 single crystals with dominant {0 0 1} facets: Synthesis, shape-control mechanism and photocatalytic activity

NASA Astrophysics Data System (ADS)

Tong, Huifen; Zhou, Yingying; Chang, Gang; Li, Pai; Zhu, Ruizhi; He, Yunbin

2018-06-01

Anatase TiO2 micro-crystals with 51% surface exposing highly active {0 0 1} facets are prepared by hydrothermal synthesis using TiF4 as Ti resource and HF as morphology control agent. In addition, anatase TiO2 single crystals exposing large {0 0 1} crystal facets are facilely synthesized with "green" NaF plus HCl replacing HF for the morphology control. A series of comparative experiments are carried out for separately studying the effects of F- and H+ concentrations on the growth of TiO2 crystals, which have not been understood very much in depth so far. The results indicate that both F- and H+ synergistically affect the synthesis of truncated anatase octahedrons, where F- is preferentially adsorbed on the {0 0 1} facets resulting in lateral growth of these facets and H+ adjusts the growth rate of anatase TiO2 along different orientations by tuning the hydrolysis rate. Based on this information, anatase TiO2 single crystals with small size (1.3 μm) and large exposure of {0 0 1} facets (45%) are successfully prepared under optimal conditions ([H+]/[F-] = 20:1). Photocatalytic activities of the as-prepared products toward methylene blue photo-degradation are further tested. It is revealed that both crystal size and percentage of {0 0 1} facets are decisive for the photocatalytic performance, and the crystals with a small size (1.3 μm) and large exposure of {0 0 1} facets (45%) are catalytically most active. This work has clarified the main factors that control the growth process and morphology of anatase TiO2 single crystals for achieving superior photocatalytic properties.
Irradiation effect on luminescence properties of fluoroperovskite single crystal (LiBaF3:Eu2+)

NASA Astrophysics Data System (ADS)

Daniel, D. Joseph; Madhusoodanan, U.; Nithya, R.; Ramasamy, P.

2014-03-01

Single crystals of pure and Eu2+ doped LiBaF3 have been grown from melt by using a vertical Bridgman-Stockbarger method. Effects induced by irradiation on europium doped LiBaF3 (lithium barium fluoride) single crystals were monitored by optical absorption, photoluminescence and thermoluminescence studies. The absorption bands of Eu2+ ions with peaks at 240, 290 and 320 nm were observed in the LiBaF3:Eu2+ crystal. Drastic increase in absorption was noted below 600 nm after gamma irradiation, which was dependent on the radiation dose. The additional absorption peak at around 570 nm was observed in irradiated crystal due to the ionization process Eu2+(-)e-→Eu3+. Photoluminescence of Eu2+ doped LiBaF3 single crystal shows sharp line peaked at ~359 nm and a broad band extending between 370 and 450 nm which shows a considerable reduction in Eu2+ PL intensity after gamma irradiation. Irradiated LiBaF3:Eu2+ sample has revealed three intense TL glow peaks at 128 °C (peak-1), 281 °C (peak-2) and 407 °C (peak-3). Activation energy (E) and frequency factor (s) of the latter two peaks were determined by various heating rate (VHR) method and graphical method.
Vibronic transitions of trivalent Er and Ce in BaY2F8 single crystals

NASA Astrophysics Data System (ADS)

Baraldi, A.; Capelletti, R.; Mazzera, M.; Ponzoni, A.; Sani, E.; Tonelli, M.

2003-01-01

High resolution (0.02 cm(-1)) Fourier transform spectroscopy was applied in the 9-300 K and 100-24,000 cm(-1) ranges, respectively, to detect in Er3+ and Ce3+ doped Bay(2)F(8) single crystals (1) the narrow line spectra due to the intraconfigurational 4f-->4f transitions of the rare earths (RE) and (2) the possible vibronic tails accompanying the zero-phonon lines. The F-2(5/2) --> F-2(7/2) transition was monitored for the Ce3+-doping and the crystal field splitting of the initial and final manifold was determined. Weak vibronic spectra accompanying six among the nine investigated 4f-->4f transitions of Er3+ and the F-2(5/2) --> F-2(7/2) transition of Ce3+ were detected. The vibronic spectra amplitude was found to scale with the RE contents. On the basis of the IR- and Raman-active vibrational modes, either measured or quoted in the literature, most of the vibronic lines could be successfully assigned to the lattice modes. Violations of the selection rules were envisaged and discussed.

Porosity Evolution in a Creeping Single Crystal (Preprint)

DTIC Science & Technology

2012-08-01

1] indicated that the growth of initially present processing induced voids in a nickel based single crystal superalloy played a significant role in...processing induced voids in a nickel based single crystal superalloy played a significant role in limiting creep life. Also, creep tests on single...experimental observations of creep deformation and failure of a nickel based single crystal superalloy, [1, 2]. Metallographic observations have shown that Ni
Ordered distribution of I and Cl in the low-temperature crystal structure of mutnovskite, Pb{sub 4}As{sub 2}S{sub 6}ICl: An X-ray single-crystal study

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

Bindi, Luca; Garavelli, Anna; Pinto, Daniela

2008-02-15

To study the temperature-dependent structural changes and to analyze the crystal chemical behavior of the halogens as a function of temperature, a crystal of the recently discovered mineral mutnovskite, ideally Pb{sub 2}AsS{sub 3}(I,Cl,Br), has been investigated by X-ray single-crystal diffraction methods at 300 and 110 K. At room temperature (RT) mutnovskite was confirmed to possess a centrosymmetric structure-type, space group Pnma, while at low temperature (110 K) it adopts a non-centrosymmetric orthorhombic structure-type, space group Pnm2{sub 1}, with a=11.5394(9) A, b=6.6732(5) A, c=9.3454(7) A, V=719.64(9) A{sup 3} and Z=2. Mutnovskite reconverts to the centrosymmetric-type upon returning to RT thus indicatingmore » that the phase transition is completely reversible in character. The refinement of the LT-structure leads to a residual factor R=0.0336 for 1827 independent observed reflections [F{sub o}>4{sigma}(F{sub o})] and 80 variables. The crystal structure of cooled mutnovskite is topologically identical to that observed at RT and the slight structural changes occurring during the phase transition Pnma{yields}Pnm2{sub 1} are mainly restricted to the coordination polyhedra around Pb. The structure solution revealed that I and Cl are ordered into two specific sites. Indeed, the unique mixed (I,Cl) position in the RT-structure (Wyckoff position 4c) transforms into two 2a Wyckoff positions in the LT-structure hosting I and Cl, respectively. - Graphical abstract: In the crystal structure of mutnovskite at 110 K the two halogens I and Cl are ordered into two specific sites and only slight changes in the coordination environment around Pb atoms occur during the phase transition Pnma{yields}Pnm2{sub 1} from the RT-structure to the LT-structure. Two kinds of layers alternating along a are present in the LT-structure: Layer I contains Cl atoms and [001] columns of Pb1 and Pb4 prisms, layer II contains I atoms and [001] columns of Pb2 and Pb3 prisms.« less
Spin glass in semiconducting KFe 1.05 Ag 0.88 Te 2 single crystals

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

Ryu, Hyejin; Lei, Hechang; Klobes, B.

2015-05-01

We report discovery of KFe 1.05 Ag 0.88 Te 2 single crystals with semiconducting spin glass ground state. Composition and structure analyses suggest nearly stoichiometric I 4 / mmm space group but allow for the existence of vacancies, absent in long-range semiconducting antiferromagnet KFe 0.85 Ag 1.15 Te 2 . The subtle change in stoichometry in Fe-Ag sublattice changes magnetic ground state but not conductivity, giving further insight into the semiconducting gap mechanism.
The effect of oxygen pressure on volatility and morphology of LaB6 single crystal cathodes

NASA Technical Reports Server (NTRS)

Davis, P. R.; Schwind, G. A.; Swanson, L. W.

1986-01-01

The effect of oxygen pressure on the volatility and morphology of single crystal LaB6 cathodes, heated to different temperatures, was investigated. At a temperature of 1600 K, an increase of oxygen pressure from 1 x 10 to the -8th torr to 1 x 10 to the -6th torr has led to a 100-fold enhancement in cathode volatility. The enhancement effect of oxygen pressure diminished with increasing temperature: at a cathode operating temperature of 1900 K, the volatility enhancement due to the same oxygen pressure was negligible. It was shown that the faceting frequently observed during evaporation of conically shaped emitters is due to a crystallograpic anisotropy of the oxidation rate of LaB6. No facet formation occurs during evaporation at oxygen pressures below -110 to the -8th torr.
Magnetic anisotropy on the single crystal UNi4B probed by 11B NMR

NASA Astrophysics Data System (ADS)

Kishimoto, Yasuki; Matsuno, Haruki; Kotegawa, Hisashi; Tou, Hideki; Saito, Hiraku; Amitsuka, Hiroshi; Homma, Yoshiya; Nakamura, Ai; Li, Dexin; Honda, Fuminori; Aoki, Dai

2018-05-01

We have performed a susceptibility M / H and 11B NMR measurements to investigate the static magnetic anisotropy of a single crystal UNi4B. The Knight shift 11K and the hyperfine coupling constant Ahf evaluated by 11K- M / H plot show anisotropic behavior between H ∥ [ 11 2 bar 0 ] and H ∥ [ 0001 ] , reflecting the bulk susceptibility. The evaluated transferred term Atr of Ahf for H ∥ [ 11 2 bar 0 ] is much larger than the one for H ∥ [ 0001 ] . The strong hybridization in the [0001]-plane due to a itinerant 5f-electron is strongly associated with the unique magnetic structure in this compound.
Evidence for a temperature-induced spin-state transition of Co3+ in La2-xSrxCoO4

NASA Astrophysics Data System (ADS)

Hollmann, N.; Haverkort, M. W.; Benomar, M.; Cwik, M.; Braden, M.; Lorenz, T.

2011-05-01

We study the magnetic susceptibility of mixed-valent La2-xSrxCoO4 single crystals in the doping range of 0.5⩽x⩽0.8 for temperatures up to 1000 K. The magnetism below room temperature is described by paramagnetic Co2+ in the high-spin state and by Co3+ in the nonmagnetic low-spin state. At high temperatures, an increase in susceptibility is seen, which we attribute to a temperature-induced spin-state transition of Co3+. The susceptibility is analyzed by comparison to full-multiplet calculations for the thermal population of the high- and intermediate-spin states of Co3+.
Energy transfer and 2.0 μm emission in Tm{sup 3+}/Ho{sup 3+} co-doped α-NaYF{sub 4} single crystals

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

Feng, Zhigang; Yang, Shuo; Xia, Haiping, E-mail: hpxcm@nbu.edu.cn

2016-04-15

Highlights: • Cubic NaYF{sub 4} single crystals co-doped with ∼1.90 mol% Tm{sup 3+} and various Ho{sup 3+} concentrations were grown by Bridgman method. • The maximum fluorescence lifetime was 23.23 ms for Tm{sup 3+} (1.90 mol%)/Ho{sup 3+} (3.89 mol%) co-doped α-NaYF{sub 4}. • The obtained energy transfer rate (W{sub ET}) and energy transfer efficiency (η) of Tm{sup 3+}:{sup 3}F{sub 4} are 1077 s{sup −1} and 95.0%, respectively. • The maximum emission cross section reached 1.06 × 10{sup −20} cm{sup 2}. - Abstract: Cubic NaYF{sub 4} single crystals co-doped with ∼1.90 mol% Tm{sup 3+} and various Ho{sup 3+} concentrations were grownmore » by Bridgman method. The energy transfer from Tm{sup 3+} to Ho{sup 3+} and the optimum fluorescence emission around 2.04 μm of Ho{sup 3+} ion were investigated based on the measured absorption spectra, emission spectra, emission cross section and decay curves under excitation of 800 nm LD. The emission intensity at 2.04 μm increased with the increase of Ho{sup 3+} concentration from 0.96 mol% to 3.89 mol% when the concentration of Tm{sup 3+} was held constantly at ∼1.90 mol%. Moreover, the maximum emission cross section reached 1.06 × 10{sup −20} cm{sup 2} and the maximum fluorescence lifetime was 23.23 ms for Tm{sup 3+}(1.90 mol%)/Ho{sup 3+}(3.89 mol%) co-doped one. According to the measured lifetime of Tm{sup 3+} single-doped and Tm{sup 3+}/Ho{sup 3+} co-doped samples, the maximum energy transfer efficiency of Tm{sup 3+}:{sup 3}F{sub 4} level was 95.0%. Analysis on the fluorescence dynamics indicated that electric dipole–dipole is dominant for the energy transfer from Tm{sup 3+} to Ho{sup 3+}.« less
Structure and magnetic properties of flux grown single crystals of Co3-xFexSn2S2 shandites

NASA Astrophysics Data System (ADS)

Kassem, Mohamed A.; Tabata, Yoshikazu; Waki, Takeshi; Nakamura, Hiroyuki

2016-01-01

We report a successful single crystal growth of the shandite-type half-metallic ferromagnet Co3Sn2S2, and its Fe-substituted compounds, Co3-xFexSn2S2, by employing the flux method. Although Fe3Sn2S2 is unstable phase, we found that using the self Sn flux enables us to obtain single phase crystals up to x=0.53. The chemical composition of the grown plate-shaped single crystals was examined using wavelength-dispersive X-ray spectroscopy. The shandite structure with R 3 ̅m symmetry was confirmed by powder X-ray diffraction and the crystal structure parameters were refined using the Rietveld method. Magnetization measurements show suppression of the ferromagnetic order upon Fe-substitution , as well as in other substituted systems such as In- and Ni-substituted Co3Sn2S2. The almost identical magnetic phase diagrams of the Fe- and In-substituted compounds indicate that the electron number is dominantly significant to the magnetism in the Co-based shandite.
Single crystal growth and anisotropic magnetic properties of HoAl2Ge2

NASA Astrophysics Data System (ADS)

Matin, Md.; Mondal, Rajib; Thamizhavel, A.; Provino, A.; Manfrinetti, P.; Dhar, S. K.

2018-05-01

We have grown a single crystal of HoAl2Ge2, which crystallizes in the hexagonal CaAl2Si2 type structure with Ho ions in the trigonal coordination in the ab plane. The data obtained from the bulk measurement techniques of magnetization, heat capacity and transport reveal that HoAl2Ge2 orders antiferromagnetically at TN ˜6.5 K. The susceptibility below TN and isothermal magnetization at 2 K indicate the ab plane as the easy plane of magnetization. Heat capacity data reveal a prominent Schottky anomaly with a broad peak centered around 25 K, suggesting a relatively low crystal electric field (CEF) splitting. The electrical resistivity reveals the occurrence of a superzone gap below TN. The point charge model of the CEF is applied to the magnetization and the heat capacity data. While a good fit to the paramagnetic susceptibility is obtained, the CEF parameters do not provide a satisfactory fit to the isothermal magnetization at 2 K and the Schottky anomaly.
Superposition model analysis of zero field splitting for Mn2+ in some host single crystals

NASA Astrophysics Data System (ADS)

Bansal, R. S.; Ahlawat, P.; Bharti, M.; Hooda, S. S.

2013-07-01

The Newman superposition model has been used to investigate the substitution of Mn2+ for Zn2+ site in ammonium tetra flurozincate dihydrate and for Co2+ site in cobalt ammonium phosphate hexahydrate and cobalt potassium phosphate hexahydrate single crystals. The calculated values of zero field splitting parameter b 2 0 at room temperature fit the experimental data with average intrinsic parameters overline{b}2 (F) = -0.0531 cm-1 for fluorine and overline{b}2 (O) = -0.0280 cm-1 for oxygen, taken t 2 = 7 for Mn2+ doped in ammonium tetra fluorozincate dihydrate single crystals. The values of overline{b}2 determined for Mn2+ doped in cobalt ammonium phosphate hexahydrate are -0.049 cm-1 for site I and -0.045 cm-1 for site II and in cobalt pottasium phosphate hexahydrate single crystals it is found to be overline{b}2 = -0.086 cm-1. We find close agreement between theoretical and experimental values of b 2 0.
Structural and photoluminescence studies on europium-doped lithium tetraborate (Eu:Li2B4O7) single crystal grown by microtube Czochralski (μT-Cz) technique

NASA Astrophysics Data System (ADS)

A, Kumaresh; R, Arun Kumar; N, Ravikumar; U, Madhusoodanan; B, S. Panigrahi; K, Marimuthu; M, Anuradha

2016-05-01

Rare earth europium (Eu3+)-doped lithium tetraborate (Eu:Li2B4O7) crystal is grown from its stoichiometric melt by microtube Czochralski pulling technique (μT-Cz) for the first time. The grown crystals are subjected to powder x-ray diffraction (PXRD) analysis which reveals the tetragonal crystal structure of the crystals. UV-vis-NIR spectral analysis is carried out to study the optical characteristics of the grown crystals. The crystal is transparent in the entire visible region, and the lower cutoff is observed to be at 304 nm. The existence of BO3 and BO4 bonding structure and the molecular associations are analyzed by Fourier transform infrared (FTIR) spectroscopy. The results of excitation and emission-photoluminescence spectra of europium ion incorporated in lithium tetraborate (LTB) single crystal reveal that the observations of peaks at 258, 297, and 318 nm in the excitation spectra and peaks at 579, 591, 597, 613, and 651 nm are observed in the emission spectra. The chromaticity coordinates are calculated from the emission spectra, and the emission intensity of the grown crystal is characterized through a CIE 1931 (Commission International d’Eclairage) color chromaticity diagram. Project supported by the Department of Science and Technology-Science and Engineering Research Board (Grant No. SR/S2/LOP-0012/2011), the Government of India for Awarding Major Research Project, the University Grants Commission-Department of Atomic Research-Consortium for Scientific Research (Grant No. CSR-KN/CSR-63/2014-2015/503), and the Kalpakkam and Indore, India.
Synthesis, crystal structure and antioxidant evaluation of C-4-acetamidophenylcalix[4]pyrogallolarene

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

Abosadiya, Hamza M.; Hasbullah, Siti Aishah; Yamin, Bohari M.

2015-09-25

C-4-acetamidophenylcalix[4]pyrogallolarene was synthesized by an acid catalyzed condensation reaction of pyrogallol with 4-acetamidobenzaldehyde. The compound was characterized by IR, {sup 1}H and {sup 13}C NMR spectroscopy. Single crystal X-ray analysis revealed that the molecule crystallized in a triclinic system with space group Pī and the unit cell dimensions a= 12.2948(16) Å, b= 13.4423(17) Å, c= 13.5906(18) Å, α =107.549(4)°, β =102.034(4)°, γ =90.535(4)°, Z= 1 and V= 2088.2(5) Å{sup 3}. The macrocyclic calix adopts a chair (C{sub 2h}) conformation and the molecule is associated with eight DMSO molecules of crystallization. Antioxidant test by DPPH method showed that the compound exhibitsmore » good antioxidant activity of about 72%.« less
Site selectivity on chalcogen atoms in superconducting La(O,F)BiSSe

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

Tanaka, Masashi, E-mail: Tanaka.Masashi@nims.go.jp; Matsushita, Yoshitaka; Fujioka, Masaya

2015-03-16

Single crystals of La(O,F)BiSSe were grown by using a CsCl flux method. Single crystal X-ray structural analysis reveals that the crystal structure is isostructural to the BiS{sub 2}- or BiSe{sub 2}-based compounds crystallizing with space group P4/nmm (lattice parameters a = 4.1110(2) Å, c = 13.6010(7) Å). However, the S atoms are selectively occupied at the apical site of the Bi-SSe pyramids in the superconducting layer. The single crystals show a superconducting transition at around 4.2 K in the magnetic susceptibility and resistivity measurements. The superconducting anisotropic parameter is determined to be 34–35 from its upper critical magnetic field. The anisotropy is in the same range withmore » that of other members of the La(O,F)BiCh{sub 2} (Ch = S, Se) family under ambient pressure.« less
Phase stability, single crystal growth, and anisotropic magnetic properties of Ca-La magnetoplumbite-type ferrite

NASA Astrophysics Data System (ADS)

Uji, K.; Waki, T.; Tabata, Y.; Nakamura, H.

2017-01-01

The cation compositions in the Ca-La magnetoplumbite-type (M-type) ferrite, CaxLayFezO19, prepared from various initial fractions of reagents, were analyzed by wavelength-dispersive X-ray (WDX) spectroscopy. The reliability of the WDX composition analysis was confirmed by a crosscheck using inductively coupled plasma atomic emission spectrometry (ICP-AES). For particular polycrystalline samples furnace-cooled from 1250 ° C , the solubility ranges of Ca, La, and Fe were found to be 0.45 ≤ x ≤ 0.70 , 0.39 ≤ y ≤ 0.66 , and 11.82 ≤ z ≤ 11.92 , respectively, assuming x + y + z = 13 . Despite that the samples were synthesized from various starting compositions, the values of z / (x + y) of the matrix M phase are smaller than the M-type regular value, 12, for all the samples and comes in a very limited range at ∼ 11 , suggesting most probably Ca occupation at particular Fe sites or Fe deficiency due to insertion of stacking fault to Ca/La/O packing. Single crystals of CaxLayFezO19 with various x / y ratios were synthesized successfully by the self-flux method, followed by the characterization of their magnetic properties. The saturation magnetization and the Curie temperature were found to be almost independent of the cation composition. In contrast, the hard-axis magnetization process at low temperature depended significantly on the Ca/La ratio, and showed a sharp jump at ≲ 10 kOe, which can be attributed to a spin reorientation transition associated with the appearance of Fe2+.
Single crystal growth of beta-Al2O3 for iso-index filters

NASA Astrophysics Data System (ADS)

Belt, R. F.; Randles, M. H.; Creamer, J. E.

1992-03-01

Single crystals of Beta-Al2O3 with a nominal composition of Na2O.11 Al2O3 were grown from stoichiometric melts contained in an iridium crucible. Seeding was achieved from an Al2O3 single crystal. The growth axis was along a, and x-ray data confirmed the unit cell parameters of a = 5.595 A and c = 22.531 A. The top and bottom lattice constants of the boules were equal to + 0.002 A and indicated a fairly uniform composition. The measured density was 3.25 g/cc. The boules remained physically intact with no major cracks. However, some cleavage progressed on the basal planes as determined by the appearance of interference fringes. Water vapor and CO2 did not enhance the cracking. Crystals were stored in a desiccator but continued to cleave. Ionic diffusions of Na(+), Ag(+), Pb(2+), Rb(+), Ca(2+), Cd(2+), and Tl(+) were performed by immersion of beta-Al2O3 into nitrate or chloride melts at temperatures of 360-7400 C.
Spin-glass polyamorphism induced by a magnetic field in LaMnO3 single crystal

NASA Astrophysics Data System (ADS)

Eremenko, V. V.; Sirenko, V. A.; Baran, A.; Čižmár, E.; Feher, A.

2018-05-01

We present experimental evidence of field-driven transition in spin-glass state, similar to pressure-induced transition between amorphous phases in structural and metallic glasses, attributed to the polyamorphism phenomena. Cusp in temperature dependences of ac magnetic susceptibility of weakly disordered LaMnO3 single crystal is registered below the temperature of magnetic ordering. Frequency dependence of the cusp temperature proves its spin-glass origin. The transition induced by a magnetic field in spin-glass state, is manifested by peculiarity in dependence of cusp temperature on applied magnetic field. Field dependent maximum of heat capacity is observed in the same magnetic field and temperature range.
Single-crystal X-ray diffraction study of Fe 2SiO 4 fayalite up to 31 GPa

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

Zhang, Jin S.; Hu, Yi; Shelton, Hannah

2016-10-03

Olivine is widely believed to be the most abundant mineral in the Earth’s upper mantle. Here, we report structural refinement results for the Fe-end-member olivine, Fe 2SiO 4 fayalite, up to 31 GPa in diamond-anvil cell, using single-crystal synchrotron X-ray diffraction. Unit-cell parameters a, b, c and V, average Si–O Fe–O bond lengths, as well as Si–O Fe–O polyhedral volumes continuously decrease with increasing pressure. The pressure derivative of isothermal bulk modulus K' T0 is determined to be 4.0 (2) using third-order Birch–Murnaghan equation of state with ambient isothermal bulk modulus fixed to 135 GPa on the basis of previousmore » Brillouin measurements. The Si–O tetrahedron is stiffer than the Fe–O octahedra, and the compression mechanism is dominated by Fe–O bond and Fe–O octahedral compression. Densities of olivine along 1600 and 900 K adiabats are calculated based on this study. The existence of metastable olivine inside the cold subduction slab could cause large positive buoyancy force against subduction, slow down the subduction and possibly affect the slab geometry.« less
Single-crystal silicon optical fiber by direct laser crystallization

DOE PAGES

Ji, Xiaoyu; Lei, Shiming; Yu, Shih -Ying; ...

2016-12-05

Semiconductor core optical fibers with a silica cladding are of great interest in nonlinear photonics and optoelectronics applications. Laser crystallization has been recently demonstrated for crystallizing amorphous silicon fibers into crystalline form. Here we explore the underlying mechanism by which long single-crystal silicon fibers, which are novel platforms for silicon photonics, can be achieved by this process. Using finite element modeling, we construct a laser processing diagram that reveals a parameter space within which single crystals can be grown. Utilizing this diagram, we illustrate the creation of single-crystal silicon core fibers by laser crystallizing amorphous silicon deposited inside silica capillarymore » fibers by high-pressure chemical vapor deposition. The single-crystal fibers, up to 5.1 mm long, have a very welldefined core/cladding interface and a chemically pure silicon core that leads to very low optical losses down to ~0.47-1dB/cm at the standard telecommunication wavelength (1550 nm). Furthermore, tt also exhibits a photosensitivity that is comparable to bulk silicon. Creating such laser processing diagrams can provide a general framework for developing single-crystal fibers in other materials of technological importance.« less
Synthesis, crystal structure and thermal study of the hybrid nickel sulfate: C6N2H16[Ni(H2O)6(SO4)2].2H2O

NASA Astrophysics Data System (ADS)

Ngopoh, F. A. I.; Hamdi, N.; Chaouch, S.; Lachkar, M.; da Silva, I.; El Bali, B.

2018-03-01

A new inorganic-organic hybrid open framework nickel sulfate C6N2H16[Ni(H2O)6(SO4)2].2H2O has been synthesized by slow evaporation in aqueous solution using trans-1,4-diaminocyclohexane as structure-directing agent. It was characterized by single-crystal X-ray diffraction, infrared spectroscopy and analyzed by TGA-DSC. The compound crystallizes in the monoclinic space group P21/n, with the unit cell parameters of a = 6.2586 Å, b = 12.3009 Å, c = 13.2451 Å, β = 98,047°, Z = 4. Its crystal structure consists of isolated polyhedrons [Ni(H2O)6]2+ and [SO4]2- and free water which connects through hydrogen bonds. This association results in the porous framework where the protonated organic molecule trans-1,4-diaminocyclohexane is located as a counter ion. The IR spectra Shows the bands corresponding to the sulfate anion, water molecule and diprotonated trans-1-4-diaminocyclohexane. Thermal study indicates the loss of water molecules and the degradation of trans-1-4-diaminocyclohexane.
Influence of anionic substitution on the electrolyte electroreflectance study of band edge transitions in single crystal Cu2ZnSn(SxSe1-x)4 solid solutions

NASA Astrophysics Data System (ADS)

Levcenco, S.; Dumcenco, D.; Wang, Y. P.; Huang, Y. S.; Ho, C. H.; Arushanov, E.; Tezlevan, V.; Tiong, K. K.

2012-06-01

Single crystals of Cu2ZnSn(SxSe1-x)4 (CZTSSe) solid solutions were grown by chemical vapor transport technique using iodine trichloride as a transport agent. As confirmed by X-ray investigations, the as-grown CZTSSe solid solutions are single phase and crystallized in kesterite structure. The lattice parameters of CZTSSe were determined and the S contents of the obtained crystals were estimated by Vegard's law. The composition dependent band gaps of CZTSSe solid solutions were studied by electrolyte electroreflectance (EER) measurements at room temperature. From a detailed lineshape fit of the EER spectra, the band gaps of CZTSSe were determined accurately and were found to decrease almost linearly with the increase of Se content, which agreed well with the recent theoretical first-principle calculations by S. Chen, A. Walsh, J.H. Yang, X.G. Gong, L. Sun, P. X. Yang, J.H. Chu, S.H. Wei, Phys. Rev. B 83 (2011) 125201 (5pp).

Synthesis, properties and crystal structure of (Gly) 2H 4SiW 12O 40·5.5H 2O

NASA Astrophysics Data System (ADS)

Lihua, Bi; Qizhuang, He; Qiong, Jia; Enbo, Wang

2001-10-01

A novel polyoxometalate containing Glycine (Gly), (Gly)2H4SiW12O40·5.5H2O (I), has been synthesized and characterized by single-crystal X-ray diffraction, elemental analyzes, IR spectrum, cyclic voltammograms and thermogravimetric analysis. The compound crystallizes in the monoclinic space group C2/C with a=40.362 (8) Å, b=12.478 (3) Å, c=19.879 (4) Å, β=96.22 (3)°, V=9953 (4) Å3, Z=8 and R1 (wR2)=0.0699 (0.1609). The crystal structure consists of [SiW12O40]4- units linked together with Gly molecules through hydrogen bonding. The electrochemical properties of I showed that the electrode reaction is surface-controlled. The compound has photosensitivity under irradiation of sunlight to result in charge transfer by oxidation of Gly and the reduction of SiW12O404-. We also found that the compound exhibited effectiveness in preventing cucumber mosaic virus (CMV).
Crystal growth and characterization of semi-organic 2-amino-5-nitropyridinium bromide (2A5NPBr) single crystals for third-order nonlinear optical (NLO) applications

NASA Astrophysics Data System (ADS)

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

2017-12-01

Semi-organic nonlinear optical (NLO) 2-amino-5-nitropyridinium bromide (2A5NPBr) single crystals have been grown by slow evaporation solution technique (SEST) with the growth period of 60 days. The single-crystal XRD analysis confirms the unit cell parameters of the grown crystal. The crystallinity of grown 2A5NPBr was analyzed by powder X-ray diffraction (PXRD) measurement. The presence of functional groups of 2A5NPBr crystal was confirmed by Fourier transform infrared (FTIR) spectrum analysis. The optical transmittance of the grown crystal was analyzed by UV-Vis-NIR analysis. It shows good transparency in the visible and NIR region and it is favorable for nonlinear optical (NLO) device applications. The chemical etching study was carried out and it reveals that the grown crystal has less dislocation density. The photoconductivity study reveals that the grown crystal possesses positive photoconductive nature. The thermal stability of the crystal has been investigated by thermogravimetric (TG) and differential thermal analysis (DTA). The dielectric constant and dielectric loss as a function of frequency were measured. The electronic polarizability (α) of 2A5NPBr molecule has been calculated theoretically by different ways such as Penn analysis, Clausius-Mossotti relation, Lorentz-Lorenz equation, optical bandgap, and coupled dipole method (CDM). The obtained values of electronic polarizability (α) are in good agreement with each other. Laser damage threshold (LDT) of 2A5NPBr crystal has been measured using Nd:YAG laser with the wavelength of 1064 nm. Third-order nonlinear optical property of the grown crystal was studied by Z-scan technique using He-Ne laser of wavelength 632.8 nm.
Synthesis, Crystal and Electronic Structures, and Optical Properties of (CH 3NH 3) 2CdX 4 (X = Cl, Br, I)

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

Roccanova, Rachel; Ming, Wenmei; Whiteside, Vincent R.

Here, we report the synthesis, crystal and electronic structures, as well as optical properties of the hybrid organic–inorganic compounds MA 2CdX 4 (MA = CH 3NH 3; X = Cl, Br, I). MA 2CdI 4 is a new compound, whereas, for MA 2CdCl 4 and MA 2CdBr 4, structural investigations have already been conducted but electronic structures and optical properties are reported here for the first time. Single crystals were grown through slow evaporation of MA 2CdX 4 solutions with optimized conditions yielding mm-sized colorless (X = Cl, Br) and pale yellow (X = I) crystals. Single crystal and variablemore » temperature powder X-ray diffraction measurements suggest that MA 2CdCl 4 forms a 2D layered perovskite structure and has two structural transitions at 283 and 173 K. In contrast, MA 2CdBr 4 and MA 2CdI 4 adopt 0D K 2SO 4-derived crystal structures based on isolated CdX 4 tetrahedra and show no phase transitions down to 20 K. The contrasting crystal structures and chemical compositions in the MA 2CdX 4 family impact their air stabilities, investigated for the first time in this work; MA 2CdCl 4 is air-stable, whereas MA 2CdBr 4 and MA 2CdI 4 partially decompose when left in air. Optical absorption measurements suggest that MA 2CdX 4 have large optical band gaps above 3.9 eV. Room temperature photoluminescence spectra of MA 2CdX 4 yield broad peaks in the 375–955 nm range with full width at half-maximum values up to 208 nm. These PL peaks are tentatively assigned to self-trapped excitons in MA 2CdX 4 following the crystal and electronic structure considerations. The bands around the Fermi level have small dispersions, which is indicative of high charge localization with significant exciton binding energies in MA 2CdX 4. On the basis of our combined experimental and computational results, MA 2CdX 4 and related compounds may be of interest for white-light-emitting phosphors and scintillator applications.« less
Synthesis, Crystal and Electronic Structures, and Optical Properties of (CH 3NH 3) 2CdX 4 (X = Cl, Br, I)

DOE PAGES

Roccanova, Rachel; Ming, Wenmei; Whiteside, Vincent R.; ...

2017-11-02

Here, we report the synthesis, crystal and electronic structures, as well as optical properties of the hybrid organic–inorganic compounds MA 2CdX 4 (MA = CH 3NH 3; X = Cl, Br, I). MA 2CdI 4 is a new compound, whereas, for MA 2CdCl 4 and MA 2CdBr 4, structural investigations have already been conducted but electronic structures and optical properties are reported here for the first time. Single crystals were grown through slow evaporation of MA 2CdX 4 solutions with optimized conditions yielding mm-sized colorless (X = Cl, Br) and pale yellow (X = I) crystals. Single crystal and variablemore » temperature powder X-ray diffraction measurements suggest that MA 2CdCl 4 forms a 2D layered perovskite structure and has two structural transitions at 283 and 173 K. In contrast, MA 2CdBr 4 and MA 2CdI 4 adopt 0D K 2SO 4-derived crystal structures based on isolated CdX 4 tetrahedra and show no phase transitions down to 20 K. The contrasting crystal structures and chemical compositions in the MA 2CdX 4 family impact their air stabilities, investigated for the first time in this work; MA 2CdCl 4 is air-stable, whereas MA 2CdBr 4 and MA 2CdI 4 partially decompose when left in air. Optical absorption measurements suggest that MA 2CdX 4 have large optical band gaps above 3.9 eV. Room temperature photoluminescence spectra of MA 2CdX 4 yield broad peaks in the 375–955 nm range with full width at half-maximum values up to 208 nm. These PL peaks are tentatively assigned to self-trapped excitons in MA 2CdX 4 following the crystal and electronic structure considerations. The bands around the Fermi level have small dispersions, which is indicative of high charge localization with significant exciton binding energies in MA 2CdX 4. On the basis of our combined experimental and computational results, MA 2CdX 4 and related compounds may be of interest for white-light-emitting phosphors and scintillator applications.« less
Optical properties of La{sub 2}CuO{sub 4} and La{sub 2-x}Ca{sub x}CuO{sub 4} crystallites in UV-vis-NIR region synthesized by sol-gel process

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

Li Yifeng; Huang Jianfeng, E-mail: hjfnpu@163.com; Cao Liyun

2012-02-15

La{sub 2}CuO{sub 4} and La{sub 2-x}Ca{sub x}CuO{sub 4} crystallites were prepared via a simple sol-gel process. The as-prepared La{sub 2}CuO{sub 4} and La{sub 2} {sub -x}Ca{sub x}CuO{sub 4} crystallites were characterized by X-ray diffraction, transmission electron microscope and UV-vis-NIR spectra. Results show that the grain size of La{sub 2}CuO{sub 4} crystallites increases with the increase of heat treatment temperature from 600 Degree-Sign C to 800 Degree-Sign C. Optical properties show that La{sub 2}CuO{sub 4} crystallites have broad absorption both in the UV-vis region and in the NIR region. The band gap of the as-prepared crystallites decreases from 1.367 eV tomore » 1.284 eV with the increase of calcination temperature from 600 Degree-Sign C to 800 Degree-Sign C. In the series of La{sub 2-x}Ca{sub x}CuO{sub 4} compounds (x = 0.05, 0.08, 0.10, 0.12, 0.15 and 0.20), all of the samples exhibit an orthogonal crystal structure and the solubility limit of Ca{sup 2+} in La{sub 2}CuO{sub 4} is within the range of x = 0.12-0.15. In the whole UV-vis-NIR region, La{sub 2-x}Ca{sub x}CuO{sub 4} crystallites exhibit a broad absorption and the corresponding band gap first increases and then decreases with increasing of Ca{sup 2+} content. - Highlights: Black-Right-Pointing-Pointer The optical band gap can be tuned by adjusting the grain size and Ca{sup 2+} content. Black-Right-Pointing-Pointer La{sub 2}CuO{sub 4} crystallites exhibit a broad absorption band both in the UV-vis region and in the NIR region. Black-Right-Pointing-Pointer The band gap increases from 1.284 eV to 1.319 eV with the decrease of heat treatment temperature. Black-Right-Pointing-Pointer In the whole UV-vis-NIR region, the La{sub 2-x}Ca{sub x}CuO{sub 4} crystallites displayed a broad absorption. Black-Right-Pointing-Pointer The band gap of La{sub 2-x}Ca{sub x}CuO{sub 4} increases linearly with doping level when 0 {<=} x {<=} 0.12.« less
Superconductivity in Sm-doped CaFe2As2 single crystals

NASA Astrophysics Data System (ADS)

Dong-Yun, Chen; Bin-Bin, Ruan; Jia, Yu; Qi, Guo; Xiao-Chuan, Wang; Qing-Ge, Mu; Bo-Jin, Pan; Tong, Liu; Gen-Fu, Chen; Zhi-An, Ren

2016-06-01

In this article, the Sm-doping single crystals Ca1 - x Sm x Fe2As2 (x = 0 ˜ 0.2) were prepared by the CaAs flux method, and followed by a rapid quenching treatment after the high temperature growth. The samples were characterized by structural, resistive, and magnetic measurements. The successful Sm-substitution was revealed by the reduction of the lattice parameter c, due to the smaller ionic radius of Sm3+ than Ca2+. Superconductivity was observed in all samples with onset T c varying from 27 K to 44 K upon Sm-doping. The coexistence of a collapsed phase transition and the superconducting transition was found for the lower Sm-doping samples. Zero resistivity and substantial superconducting volume fraction only happen in higher Sm-doping crystals with the nominal x > 0.10. The doping dependences of the c-axis length and onset T c were summarized. The high-T c observed in these quenched crystals may be attributed to simultaneous tuning of electron carriers doping and strain effect caused by lattice reduction of Sm-substitution. Project supported by the National Natural Science Foundation of China (Grant No. 11474339), the National Basic Research Program of China (Grant Nos. 2010CB923000 and 2011CBA00100), and the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDB07020100).
Ultratough CVD single crystal diamond and three dimensional growth thereof

DOEpatents

Hemley, Russell J [Washington, DC; Mao, Ho-kwang [Washington, DC; Yan, Chih-shiue [Washington, DC

2009-09-29

The invention relates to a single-crystal diamond grown by microwave plasma chemical vapor deposition that has a toughness of at least about 30 MPa m.sup.1/2. The invention also relates to a method of producing a single-crystal diamond with a toughness of at least about 30 MPa m.sup.1/2. The invention further relates to a process for producing a single crystal CVD diamond in three dimensions on a single crystal diamond substrate.
Crystal Structures and Thermal Properties of Two Transition-Metal Compounds {[Ni(DNI)2(H2O)3][Ni(DNI)2 (H2O)4]}·6H2O and Pb(DNI)2(H2O)4 (DNI = 2,4-Dinitroimidazolate)

PubMed Central

Zhang, Guo-Fang; Cai, Mei-Yu; Jing, Ping; He, Chong; Li, Ping; Zhao, Feng-Qi; Li, Ji-Zhen; Fan, Xue-Zhong; Ng, Seik Weng

2010-01-01

Two transition-metal compounds derived from 2,4-dinitroimidazole, {[Ni(DNI)2(H2O)3][Ni(DNI)2 (H2O)4]}·6H2O, 1, and Pb(DNI)2(H2O)4, 2, were characterized by elemental analysis, FT-IR, TG-DSC and X-ray single-crystal diffraction analysis. Crystal data for 1: monoclinic, space group C2/c, a = 26.826(3), b = 7.7199(10), c = 18.579(2) Å, β = 111.241(2)° and Z = 4; 2: monoclinic, space group C2/c, a = 6.5347(6), b = 17.1727(17), c = 14.1011(14) Å, β = 97.7248(10) and Z = 4. Compound 1 contains two isolated nickel centers in its structure, one being six-coordinate and another five-coordinate. The structure of 2 contains a lead (II) center surrounded by two chelating DNI ligands and four water molecules in distorted square-antiprism geometry. The abundant hydrogen bonds in two compounds link the molecules into three-dimensional network and stabilize the molecules. The TG-DSC analysis reveals that the first step is the loss of water molecules and the final residue is the corresponding metal oxides and carbon. PMID:20526419
Precipitation of thin-film organic single crystals by a novel crystal growth method using electrospray and ionic liquid film

NASA Astrophysics Data System (ADS)

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.
Growth and characterization of new nonlinear optical 1-phenyl-3-(4-dimethylamino phenyl) prop-2-en-1-one (PDAC) single crystals

NASA Astrophysics Data System (ADS)

Ravindraswami, K.; Janardhana, K.; Gowda, Jayaprakash; Moolya, B. Narayana

2018-04-01

Non linear optical 1-phenyl-3-(4-dimethylamino phenyl) prop-2-en-1-one (PDAC) was synthesized using Claisen - Schmidt condensation method and studied for optical nonlinearity with an emphasis on structure-property relationship. The structural confirmation studies were carried out using 1H-NMR, FT-IR and single crystal XRD techniques. The nonlinear absorption and nonlinear refraction parameters in z-scan with nano second laser pulses were obtained by measuring the profile of propagated beam through the samples. The real and imaginary parts of third-order bulk susceptibility χ(3) were evaluated. Thermo gravimetric analysis is carried out to investigate the thermal stability.
Temperature dependence of the superconducting energy gaps in Ca9.35La0.65(Pt3As8)(Fe2As2)5 single crystal.

PubMed

Seo, Yu-Il; Choi, Woo-Jae; Ahmad, D; Kimura, Shin-Ichi; Kwon, Yong Seung

2018-06-05

We measured the optical reflectivity R(ω) for an underdoped (Ca 0.935 La 0.065 ) 10 (Pt 3 As 8 )(Fe 2 As 2 ) 5 single crystal and obtained the optical conductivity [Formula: see text] using the K-K transformation. The normal state [Formula: see text] at 30 K is well fitted by a Drude-Lorentz model with two Drude components (ω p1 = 1446 cm -1 and ω p2 = 6322 cm -1 ) and seven Lorentz components. Relative reflectometry was used to accurately determine the temperature dependence of the superconducting gap at various temperatures below T c . The results clearly show the opening of a superconducting gap with a weaker second gap structure; the magnitudes for the gaps are estimated from the generalized Mattis-Bardeen model to be Δ 1 = 30 and Δ 2 = 50 cm -1 , respectively, at T = 8 K, which both decrease with increasing temperature. The temperature dependence of the gaps was not consistent with one-band BCS theory but was well described by a two-band (hence, two gap) BCS model with interband interactions. The temperature dependence of the superfluid density is flat at low temperatures, indicating an s-wave full-gap superconducting state.
Syntheses, crystal structures and optical spectroscopy of Ln{sub 2}(SO{sub 4}){sub 3}.8H{sub 2}O (Ln=Ho, Tm) and Pr{sub 2}(SO{sub 4}){sub 3}.4H{sub 2}O

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

Kazmierczak, Karolina; Hoeppe, Henning A., E-mail: henning@ak-hoeppe.d

2011-05-15

The lanthanide sulphate octahydrates Ln{sub 2}(SO{sub 4}){sub 3}.8H{sub 2}O (Ln=Ho, Tm) and the respective tetrahydrate Pr{sub 2}(SO{sub 4}){sub 3}.4H{sub 2}O were obtained by evaporation of aqueous reaction mixtures of trivalent rare earth oxides and sulphuric acid at 300 K. Ln{sub 2}(SO{sub 4}){sub 3}.8H{sub 2}O (Ln=Ho, Tm) crystallise in space group C2/c (Z=4, a{sub Ho}=13.4421(4) A, b{sub Ho}=6.6745(2) A, c{sub Ho}=18.1642(5) A, {beta}{sub Ho}=102.006(1) A{sup 3} and a{sub Tm}=13.4118(14) A, b{sub Tm}=6.6402(6) A, c{sub Tm}=18.1040(16) A, {beta}{sub Tm}=101.980(8) A{sup 3}), Pr{sub 2}(SO{sub 4}){sub 3}.4H{sub 2}O adopts space group P2{sub 1}/n (a=13.051(3) A, b=7.2047(14) A, c=13.316(3) A, {beta}=92.55(3) A{sup 3}). The vibrationalmore » and optical spectra of Ho{sub 2}(SO{sub 4}){sub 3}.8H{sub 2}O and Pr{sub 2}(SO{sub 4}){sub 3}.4H{sub 2}O are also reported. -- Graphical abstract: In the lanthanide sulphate octahydrates the cations form slightly undulated layers. Between the layers are voids in which sulphate tetrahedra and water molecules are located. The holmium compound exhibits an Alexandrite effect. Display Omitted Highlights: {yields} Determination of the optimum conditions for the growth of single-crystals of Ln{sub 2}(SO{sub 4}){sub 3}.8H{sub 2}O (Ln=Ho, Tm) and Pr{sub 2}(SO{sub 4}){sub 3}.4H{sub 2}O. {yields} Single-crystal structure elucidation of Ln{sub 2}(SO{sub 4}){sub 3}.8H{sub 2}O (Ln=Ho, Tm) including hydrogen bonds. {yields} Single-crystal structure determination of Pr{sub 2}(SO{sub 4}){sub 3}.4H{sub 2}O including hydrogen bonds. {yields} UV-vis spectra of Ho{sub 2}(SO{sub 4}){sub 3}.8H{sub 2}O and Pr{sub 2}(SO{sub 4}){sub 3}.4H{sub 2}O recorded and interpreted: Assignation of bands and clarification of the Alexandrite effect of the Ho compound. {yields} IR and Raman spectra of Ln{sub 2}(SO{sub 4}){sub 3}.8H{sub 2}O (Ln=Ho, Tm) and Pr{sub 2}(SO{sub 4}){sub 3}.4H{sub 2}O recorded and interpreted.« less
Crystal structure and vibrational spectra of piperazinium bis(4-hydroxybenzenesulphonate) molecular-ionic crystal

NASA Astrophysics Data System (ADS)

Marchewka, M. K.; Pietraszko, A.

2008-02-01

The piperazinium bis(4-hydroxybenzenesulphonate) crystallizes from water solution at room temperature in P2 1/ c space group of monoclinic system. The crystals are built up of doubly protonated piperazinium cations and ionized 4-hydroxybenzenesulphonate anions that interact through weak hydrogen bonds of O-H⋯O and N-H⋯O type. Mutual orientation of anions is determined by non-conventional hydrogen bonds of C-H⋯π type. Room temperature powder FT IR and FT Raman measurements were carried out. The vibrational spectra are in full agreement with the structure obtained from X-ray crystallography. The big single crystals of the title salt can be grown.
The first quaternary lanthanide(III) nitride iodides: NaM{sub 4}N{sub 2}I{sub 7} (M=La-Nd)

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

Schurz, Christian M.; Schleid, Thomas, E-mail: schleid@iac.uni-stuttgart.d

In attempts to synthesize lanthanide(III) nitride iodides with the formula M{sub 2}NI{sub 3} (M=La-Nd), moisture-sensitive single crystals of the first quaternary sodium lanthanide(III) nitride iodides NaM{sub 4}N{sub 2}I{sub 7} (orthorhombic, Pna2{sub 1}; Z=4; a=1391-1401, b=1086-1094, c=1186-1211 pm) could be obtained. The dominating structural features are {sup 1}{sub {infinity}}{l_brace}[NM{sub 4/2}{sup e}]{sup 3+}{r_brace} chains of trans-edge linked [NM{sub 4}]{sup 9+} tetrahedra, which run parallel to the polar 2{sub 1}-axis [001]. Between the chains, direct bonding via special iodide anions generates cages, in which isolated [NaI{sub 6}]{sup 5-} octahedra are embedded. The IR spectrum of NaLa{sub 4}N{sub 2}I{sub 7} recorded from 100 tomore » 1000 cm{sup -1} shows main bands at {upsilon}=337, 373 and 489 cm{sup -1}. With decreasing radii of the lanthanide trications these bands, which can be assigned as an influence of the vibrations of the condensed [NM{sub 4}]{sup 9+} tetrahedra, are shifted toward higher frequencies for the NaM{sub 4}N{sub 2}I{sub 7} series (M=La-Nd), following the lanthanide contraction. - Abstract: View at the main structural features of the NaM{sub 4}N{sub 2}I{sub 7} series (M=La-Nd): The {sup 1}{sub {infinity}}{l_brace}[NM{sub 4/2}{sup e}]{sup 3+}{r_brace} chains, consisting of trans-edge connected [NM{sub 4}]{sup 9+} tetrahedra, and the special kind of iodide anions, namely (I7){sup -}, form cages, in which isolated [NaI{sub 6}]{sup 5-} octahedra are embedded.« less
Crystal Growth and Optical Properties of Co2+ Doped SrLaGa3O7

DTIC Science & Technology

2001-01-01

Electron Spin Resonance, absorption spectra, gallate crystals, thermal annealing. 1. INTRODUCTION SrLaGa307 (SLGO) belongs to the family of binary... gallates of alkaline and rare earth metals. Crystal of these compounds have the tetragonal gehlenite (Ca 2AS12SiO 7) structure (space group: P-421ml, D 3 2d
Optical, structural, thermal and dielectric spectroscopy characterizations of seeded melt grown 2-hydroxy biphenyl single crystal.

PubMed

Sadhasivam, S; Rajesh, Narayana Perumal

2014-09-15

Organic single crystal of 2-hydroxy biphenyl (2-HB) was grown by top seeded melt growth method. Scanning electron microscopy studies has been carried out on the surface of the grown crystals to investigate the nature of growth and defects. The crystalline perfection and lattice parameters of 2-HB has been determined by single crystal XRD analysis and it belongs to orthorhombic crystal system with space group Fdd2. The functional groups and molecular associations were confirmed by FT-IR. The optical characteristics such as cut-off and transmittance were carried out using UV-Vis-NIR spectra. Absence of absorption in the region between 320 and 1100 nm makes the grown crystal desirable to optical applications. Thermal stability of grown crystals was characterized by thermogravimetric (TGA), differential thermal analysis (DTA) and differential scanning calorimetric (DSC) analyses. Broadband dielectric studies reveals that dielectric constant of grown crystal is low. The resistivity of grown crystal was studied by impedance analysis. The second harmonic generation intensity of 3.8 mJ was studied. The grown crystal belongs to soft material studied by hardness test. Copyright © 2014 Elsevier B.V. All rights reserved.
Aggregate frequency width, nuclear hyperfine coupling and Jahn-Teller effect of Cu2+ impurity ion ESR in SrLaAlO4 dielectric resonator at 20 millikelvin

NASA Astrophysics Data System (ADS)

Hosain, M. A.; Le Floch, J.-M.; Krupka, J.; Tobar, M. E.

2018-01-01

The impurity paramagnetic ion, Cu2+ substitutes Al in the SrLaAlO4 single crystal lattice, this results in a CuO6 elongated octahedron, and the resulting measured g-factors satisfy four-fold axes variation condition. The aggregate frequency width of the electron spin resonance with the required minimum level of impurity concentration has been evaluated in this single crystal SrLaAlO4 at 20 millikelvin. Measured parallel hyperfine constants, A\\Vert Cu , were determined to be -155.7×10-4~cm-1, ~ -163.0×10-4~cm-1, ~ -178.3×10-4~cm-1 and -211.1×10-4~cm-1 at 9.072~GHz~(WGH4, 1, 1) for the nuclear magnetic quantum number M_I=+\\frac{3}{2}, +\\frac{1}{2}, -\\frac{1}{2} , and -\\frac{3}{2} respectively. The anisotropy of the hyperfine structure reveals the characteristics of the static Jahn-Teller effect. The second-order-anisotropy term, ˜ (\\fracspin{-orbit~coupling}{10D_q}){\\hspace{0pt}}2 , is significant and cannot be disregarded, with the local strain dominating over the observed Zeeman-anisotropy-energy difference. The Bohr electron magneton, β=9.23× 10-24 JT-1 , (within -0.43% so-called experimental error) has been found using the measured spin-Hamiltonian parameters. Measured nuclear dipolar hyperfine structure parameter P\\Vert=12.3×10-4~cm-1 shows that the mean inverse third power of the electron distance from the nucleus is < r-3_q>≃ 5.23 a.u. for Cu2+ ion in the substituted Al3+ ion site assuming nuclear electric quadruple moment Q=-0.211 barn.
Synthesis, Characterization, Crystal Structure, and Biological Studies of a Cadmium(II) Complex with a Tridentate Ligand 4′-Chloro-2,2′:6′,2′′-Terpyridine

PubMed Central

Saghatforoush, L. A.; Valencia, L.; Chalabian, F.; Ghammamy, Sh.

2011-01-01

A new Cd(II) complex with the ligand 4′-chloro-2,2′6′,2′′-terpyridine (Cltpy), [Cd(Cltpy)(I)2], has been synthesized and characterized by CHN elemental analysis, 1H-NMR, 13C-NMR, and IR spectroscopy and structurally analyzed by X-ray single-crystal diffraction. The single-crystal X-ray analyses show that the coordination number in complex is five with three terpyridine (Cltpy) N-donor atoms and two iodine atoms. The antibacterial activities of Cltpy and its Cd(II) complex are tested against different bacteria. PMID:21738495
Single Crystal X-ray Study of 6-Phenyl-4-( p-tolyl)pyridin-2(1 H)-one

NASA Astrophysics Data System (ADS)

Khajuria, Rajni; Sharma, Suresh; Kapoor, Kamal K.; Gupta, Vivek K.

2017-12-01

The title compound 6-phenyl-4-( p-tolyl)pyridin-2(1 H)-one was synthesized via one-pot, three component reaction of ( E)-1-phenyl-3-( p-tolyl)-2-propen-1-one, ethyl 2-nitroacetate and ammonium acetate in refluxing ethanol, as a shiny green crystalline solid in 83% yield. Its structure was characterized by spectral studies and unambiguously corroborated by X-ray diffraction crystallography. The crystals of title compound are monoclinic, sp. gr. P21/ n, a = 11.8346(7) Å, b = 13.4413(9) Å, c = 17.7626(10) Å, β = 99.479(5)°, and Z = 8. All the rings in molecule of the title compound are planar. Hydrogen interactions play significant role in stabilizing the crystal structure and the supramolecular aggregate of molecules is facilitated by strong N-H···O and C-H···O type of hydrogen interactions.
Large single domain 123 material produced by seeding with single crystal rare earth barium copper oxide single crystals

DOEpatents

Todt, V.; Miller, D.J.; Shi, D.; Sengupta, S.

1998-07-07

A method of fabricating bulk YBa{sub 2}Cu{sub 3}O{sub x} where compressed powder oxides and/or carbonates of Y and Ba and Cu present in mole ratios to form YBa{sub 2}Cu{sub 3}O{sub x} are heated in the presence of a Nd{sub 1+x}Ba{sub 2{minus}x}Cu{sub 3}O{sub y} seed crystal to a temperature sufficient to form a liquid phase in the YBa{sub 2}Cu{sub 3}O{sub x} while maintaining the seed crystal solid. The materials are slowly cooled to provide a YBa{sub 2}Cu{sub 3}O{sub x} material having a predetermined number of domains between 1 and 5. Crack-free single domain materials can be formed using either plate shaped seed crystals or cube shaped seed crystals with a pedestal of preferential orientation material. 7 figs.

Large single domain 123 material produced by seeding with single crystal rare earth barium copper oxide single crystals

DOEpatents

Todt, Volker; Miller, Dean J.; Shi, Donglu; Sengupta, Suvankar

1998-01-01

A method of fabricating bulk YBa.sub.2 Cu.sub.3 O.sub.x where compressed powder oxides and/or carbonates of Y and Ba and Cu present in mole ratios to form YBa.sub.2 Cu.sub.3 O.sub.x are heated in the presence of a Nd.sub.1+x Ba.sub.2-x Cu.sub.3 O.sub.y seed crystal to a temperature sufficient to form a liquid phase in the YBa.sub.2 Cu.sub.3 O.sub.x while maintaining the seed crystal solid. The materials are slowly cooled to provide a YBa.sub.2 Cu.sub.3 O.sub.x material having a predetermined number of domains between 1 and 5. Crack-free single domain materials can be formed using either plate shaped seed crystals or cube shaped seed crystals with a pedestal of preferential orientation material.
Temperature dependence of luminescence behavior in Er3+-doped BaY2F8 single crystal

NASA Astrophysics Data System (ADS)

Wang, Shuai; Ruan, Yongfeng; Tsuboi, Taiju; Tong, Hongshuang; Wang, Youfa; Zhang, Shouchao

2013-12-01

BaY2F8 single crystals doped with Er3+ ions have been grown by the temperature gradient method. The absorption, excitation and emission spectra for Er3+-doped BaY2F8 crystals were measured at room temperature (297 K) and 12 K. The effect of temperature on the luminescence intensity and effective bandwidth was investigated in the range of 12-297 K. The temperature dependence of the fluorescence intensity ratio (FIR) for the 522 nm emission (2H11/2→4I15/2 transition) and the 552 nm emission (4S3/2→4I15/2 transition) was also studied in the range of 12-297 K. Based on the fitting FIR curve, the value of the constant term B (2.25) was obtained. The fitting FIR curve and FIR equation may have a potential application in the temperature measurement. In addition, the up-conversion spectrum at room temperature was recorded under excitation of 980 nm and the up-conversion mechanism was analyzed in detail.
Phosphide oxides RE2AuP2O (RE = La, Ce, Pr, Nd): synthesis, structure, chemical bonding, magnetism, and 31P and 139La solid state NMR.

PubMed

Bartsch, Timo; Wiegand, Thomas; Ren, Jinjun; Eckert, Hellmut; Johrendt, Dirk; Niehaus, Oliver; Eul, Matthias; Pöttgen, Rainer

2013-02-18

Polycrystalline samples of the phosphide oxides RE(2)AuP(2)O (RE = La, Ce, Pr, Nd) were obtained from mixtures of the rare earth elements, binary rare earth oxides, gold powder, and red phosphorus in sealed silica tubes. Small single crystals were grown in NaCl/KCl fluxes. The samples were studied by powder X-ray diffraction, and the structures were refined from single crystal diffractometer data: La(2)AuP(2)O type, space group C2/m, a = 1515.2(4), b = 424.63(8), c = 999.2(2) pm, β = 130.90(2)°, wR2 = 0.0410, 1050 F(2) values for Ce(2)AuP(2)O, and a = 1503.6(4), b = 422.77(8), c = 993.0(2) pm, β = 130.88(2)°, wR2 = 0.0401, 1037 F(2) values for Pr(2)AuP(2)O, and a = 1501.87(5), b = 420.85(5), c = 990.3(3) pm, β = 131.12(1)°, wR2 = 0.0944, 1143 F(2) values for Nd(2)AuP(2)O with 38 variables per refinement. The structures are composed of [RE(2)O](4+) polycationic chains of cis-edge-sharing ORE(4/2) tetrahedra and polyanionic strands [AuP(2)](4-), which contain gold in almost trigonal-planar phosphorus coordination by P(3-) and P(2)(4-) entities. The isolated phosphorus atoms and the P(2) pairs in La(2)AuP(2)O could clearly be distinguished by (31)P solid state NMR spectroscopy and assigned on the basis of a double quantum NMR technique. Also, the two crystallographically inequivalent La sites could be distinguished by static (139)La NMR in conjunction with theoretical electric field gradient calculations. Temperature-dependent magnetic susceptibility measurements show diamagnetic behavior for La(2)AuP(2)O. Ce(2)AuP(2)O and Pr(2)AuP(2)O are Curie-Weiss paramagnets with experimental magnetic moments of 2.35 and 3.48 μ(B) per rare earth atom, respectively. Their solid state (31)P MAS NMR spectra are strongly influenced by paramagnetic interactions. Ce(2)AuP(2)O orders antiferromagnetically at 13.1(5) K and shows a metamagnetic transition at 11.5 kOe. Pr(2)AuP(2)O orders ferromagnetically at 7.0 K.
Growth, spectral, optical, thermal, and mechanical behaviour of an organic single crystal: Quinolinium 2-carboxy 6-nitrophthalate monohydrate

NASA Astrophysics Data System (ADS)

Mohana, J.; Ahila, G.; Bharathi, M. Divya; Anbalagan, G.

2016-09-01

Organic single crystals of quinolinium 2-carboxy 6-nitrophthalate monohydrate (QN) were grown by slow evaporation solution growth technique using ethanol and water as a mixed solvent. X-ray powder diffraction analysis revealed that the crystal belongs to the monoclinic crystal system with space group of P21/c. The functional groups present in the crystallized material confirmed its molecular structure. The optical transparency range and the lower cutoff wavelength were identified from the UV-vis spectrum. The optical constants were determined by UV-visible transmission spectrum at normal incidence, measured over the 200-700 nm spectral range. The dispersion of the refractive index was discussed in terms of the single-oscillator Wemple and DiDomenico model. The calculated HOMO and LUMO energies show that the charge transfer occur within the molecule. Electronic excitation properties were discussed within the framework of two level model on the basis of an orbital analysis. The nonlinear optical absorption coefficient (β) and nonlinear refraction (n2) of QN was measured by Z-scan technique and reported here. Thermal stability of QN was determined using TGA/DSC curves. Vicker's microhardness studies were carried out on the (1 1 ̅0) plane to understand the mechanical properties of the grown crystal. The microhardness measurements showed a Vickers hardness value as 18.4 kg/mm2 which is comparable to well-known organic crystal, urea.
Crystal structure, spectral, thermal and dielectric studies of a new zinc benzoate single crystal

NASA Astrophysics Data System (ADS)

Bijini, B. R.; Prasanna, S.; Deepa, M.; Nair, C. M. K.; Rajendra Babu, K.

2012-11-01

Single crystals of zinc benzoate with a novel structure were grown in gel media. Sodium metasilicate of gel density 1.04 g/cc at pH 6 was employed to yield transparent single crystals. The crystal structure of the compound was ascertained by single crystal X-ray diffractometry. It was noted that the crystal belongs to monoclinic system with space group P21/c with unit cell parameters a = 10.669(1) Å, b = 12.995(5) Å, c = 19.119(3) Å, and β = 94.926(3)°. The crystal was seen to possess a linear polymeric structure along b-axis; with no presence of coordinated or lattice water. CHN analysis established the stoichiometric composition of the crystal. The existence of functional groups present in the single crystal system was confirmed by FT-IR studies. The thermal characteristic of the sample was analysed by TGA-DTA techniques, and the sample was found to be thermally stable up to 280 °C. The kinetic and thermodynamic parameters were also determined. UV-Vis spectroscopy corroborated the transparency of the crystal and revealed the optical band gap to be 4 eV. Dielectric studies showed decrease in the dielectric constant of the sample with increase in frequency.
Fabrication of graded index single crystal in glass

PubMed Central

Veenhuizen, Keith; McAnany, Sean; Nolan, Daniel; Aitken, Bruce; Dierolf, Volkmar; Jain, Himanshu

2017-01-01

Lithium niobate crystals were grown in 3D through localized heating by femtosecond laser irradiation deep inside 35Li2O-35Nb2O5-30SiO2 glass. Laser scanning speed and power density were systematically varied to control the crystal growth process and determine the optimal conditions for the formation of single crystal lines. EBSD measurements showed that, in principle, single crystals can be grown to unlimited lengths using optimal parameters. We successfully tuned the parameters to a growth mode where nucleation and growth occur upon heating and ahead of the scanning laser focus. This growth mode eliminates the problem reported in previous works of non-uniform polycrystallinity because of a separate growth mode where crystallization occurs during cooling behind the scanning laser focus. To our knowledge, this is the first report of such a growth mode using a fs laser. The crystal cross-sections possessed a symmetric, smooth lattice misorientation with respect to the c-axis orientation in the center of the crystal. Calculations indicate the observed misorientation leads to a decrease in the refractive index of the crystal line from the center moving outwards, opening the possibility to produce within glass a graded refractive index single crystal (GRISC) optically active waveguide. PMID:28287174
Crystal growth of LiIn 1–xGa xSe 2 crystals

DOE PAGES

Wiggins, Brenden; Bell, Joseph; Woodward, Jonathan; ...

2016-10-22

Lithium containing chalcogenide single crystals have become very promising materials for photonics and radiation detection. Detection applications include nuclear nonproliferation, neutron science, and stellar investigations for the search of life. Synthesis and single crystal growth methods for lithium containing chalcogenide, specifically LiIn 1-xGa xSe 2, single crystals are discussed. This study elucidates the possibility of improving neutron detection by reducing the indium capture contribution; with the incorporation of the lithium-6 isotope, gallium substitution may overcome the neutron detection efficiency limitation of 6LiInSe 2 due to appreciable neutron capture by the indium-115 isotope. As a figure of merit, the ternary parentmore » compounds 6LiInSe 2 and 6LiGaSe 2 were included in this study. Quality crystals can be obtained utilizing the vertical Bridgman method to produce quaternary compounds with tunable optical properties. Here, quaternary crystals of varying quality depending on the gallium concentration, approximately 5 x 5 x 2 mm 3 or larger in volume, were harvested, analyzed and revealed tunable absorption characteristics between 2.8-3.4 eV.« less
Preparation, Crystal Structure, Dielectric Properties, and Magnetic Behavior of Ba 2Fe 2Ti 4O 13

NASA Astrophysics Data System (ADS)

Vanderah, T. A.; Huang, Q.; Wong-Ng, W.; Chakoumakos, B. C.; Goldfarb, R. B.; Geyer, R. G.; Baker-Jarvis, J.; Roth, R. S.; Santoro, A.

1995-11-01

The preparation, crystal structure, dielectric properties, and magnetic behavior of the new compound Ba2Fe2Ti4O13 are reported. Structural studies carried out by single-crystal X-ray diffraction and neutron powder diffraction show that this phase is isostructural with K2Ti6O13 and Ba2ZnTi5O13 (C2/m (No. 12); a = 15.216(1), b = 3.8979(3), c = 9.1350(6) Å, β = 98.460(7)°; V = 535.90(8) Å3; Z = 2). The cations Fe3+ and Ti4+ are partially ordered among distorted octahedral sites with Ba2+ occupying eleven-coordinated polyhedra. Ba2Fe2Ti4O13 exhibits TE0 resonance near 10 GHz with a dielectric constant of ∼28 and a dielectric loss tangent of 2 × 10-3. The compound displays complex paramagnetic behavior with marked field dependence; the magnetization at 80 kA/m is several orders of magnitude smaller than that of most ferrites. Spin-glass effects have not been observed; however, weak collective interactions are clearly present. No magnetic ordering has been detected by neutron diffraction down to 13 K.
Spatiotemporal dynamics of the spin transition in [Fe (HB(tz)3) 2] single crystals

NASA Astrophysics Data System (ADS)

Ridier, Karl; Rat, Sylvain; Shepherd, Helena J.; Salmon, Lionel; Nicolazzi, William; Molnár, Gábor; Bousseksou, Azzedine

2017-10-01

The spatiotemporal dynamics of the spin transition have been thoroughly investigated in single crystals of the mononuclear spin-crossover (SCO) complex [Fe (HB (tz )3)2] (tz = 1 ,2 ,4-triazol-1-yl) by optical microscopy. This compound exhibits an abrupt spin transition centered at 334 K with a narrow thermal hysteresis loop of ˜1 K (first-order transition). Most single crystals of this compound reveal exceptional resilience upon repeated switching (several hundred cycles), which allowed repeatable and quantitative measurements of the spatiotemporal dynamics of the nucleation and growth processes to be carried out. These experiments revealed remarkable properties of the thermally induced spin transition: high stability of the thermal hysteresis loop, unprecedented large velocities of the macroscopic low-spin/high-spin phase boundaries up to 500 µm/s, and no visible dependency on the temperature scan rate. We have also studied the dynamics of the low-spin → high-spin transition induced by a local photothermal excitation generated by a spatially localized (Ø = 2 μ m ) continuous laser beam. Interesting phenomena have been evidenced both in quasistatic and dynamic conditions (e.g., threshold effects and long incubation periods, thermal activation of the phase boundary propagation, stabilization of the crystal in a stationary biphasic state, and thermal cutoff frequency). These measurements demonstrated the importance of thermal effects in the transition dynamics, and they enabled an accurate determination of the thermal properties of the SCO compound in the framework of a simple theoretical model.
Extreme magnetoresistance and SdH oscillation in compensated semimetals of NbSb2 single crystals

NASA Astrophysics Data System (ADS)

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

2018-04-01

Topological semimetals represent one of the most interesting classes of materials that continue to attract worldwide interest. Here, we report magnetotransport properties of MPn2-type (M = Nb, Ta; Pn = P, As, Sb) NbSb2 single-crystal semimetals with a centrosymmetric C12/m1 space group, paramagnetic ground state, and non-saturation parabolic-like magnetoresistance. The NbSb2 crystals show metallic conductivity down to 2 K and undergo a metal-to-insulator-like transition under a magnetic field B (B ≥ 4 T) and exhibit a resistivity plateau in the low-temperature region (T ≤ 10 K), where the value of resistivity strongly depends on the magnitude and direction of the magnetic field. Upon sweeping the magnetic field from 0 to 14.5 T in the transverse configuration at T = 1.5 K, the NbSb2 crystal shows a large positive magnetoresistance (4.2 × 103% at B = 14.5 T) with Shubnikov-de Haas (SdH) oscillation. Hall measurements reveal that both the carrier compensation between electrons and holes and the high mobility and large mean free path of carriers contribute to the large magnetoresistance. Fast Fourier transform analyses of angle-resolved SdH oscillation indicate that the Fermi surface of the NbSb2 crystal is quasi-two-dimensional with three-dimensional components. These findings, together with the theoretically calculated electronic band structure obtained within the framework of density functional theory, suggest that NbSb2 is a good candidate compensated semimetal for further theoretical and experimental investigation of this family of materials.
Nematicity and magnetism in LaFeAsO single crystals probed by 75As nuclear magnetic resonance

NASA Astrophysics Data System (ADS)

Ok, J. M.; Baek, S.-H.; Efremov, D. V.; Kappenberger, R.; Aswartham, S.; Kim, J. S.; van den Brink, Jeroen; Büchner, B.

2018-05-01

We report a 75As nuclear magnetic resonance study in LaFeAsO single crystals, which undergoes nematic and antiferromagnetic transitions at Tnem˜156 K and TN˜138 K, respectively. Below Tnem, the 75As spectrum splits sharply into two for an external magnetic field parallel to the orthorhombic a or b axis in the FeAs planes. Our analysis of the data demonstrates that the NMR line splitting arises from an electronically driven rotational symmetry breaking. The 75As spin-lattice relaxation rate as a function of temperature shows that spin fluctuations are strongly enhanced just below Tnem. These NMR findings indicate that nematic order promotes spin fluctuations in magnetically ordered LaFeAsO, as observed in nonmagnetic and superconducting FeSe. We conclude that the origin of nematicity is identical in both FeSe and LaFeAsO regardless of whether or not a long-range magnetic order develops in the nematic state.
Intrinsic Josephson junctions in mesas and ultrathin BSCCO single crystals: Ultimate control of shape and dimensions

NASA Astrophysics Data System (ADS)

Yurgens, A.; You, L. X.; Torstensson, M.; Winkler, D.

2007-09-01

We describe experiments which are only possible through an ultimate control of sample shape and dimensions down to nanometer scale whereby transport measurements can be done in various restricted geometries. We use photolithography patterning together with a flip-chip technique to isolate very thin (d ∼ 100 nm) pieces of Bi2Sr2CaCu2O8+δ (BSCCO) single crystals. Ar-ion milling allows us to further thin these crystals down to a few nanometers in a controlled way. With decreasing thickness below two to three unit cells, the superconducting transition temperature gradually decreases to zero and the in-plane resistivity increases to large values indicating the existence of a superconductor-insulator transition in these ultrathin single crystals. In a refined technique, a precise control of the etching depth from both sides of the crystal makes it possible to form stacks of intrinsic Josephson junctions (IJJs) inside the ultrathin single crystals. The stacks can be tailor-made to any microscopic height (0-9 nm < d), i.e. enclosing a specific number of IJJs (0-6). In certain geometries, by feeding current into the topmost Cu2O4-layer of a mesa on the surface of a BSCCO single crystal, we measured the critical value of this current by detecting a sharp upturn or break in the current-voltage characteristics. From this, we estimate the sheet critical current density of a single Cu2O4 plane to be ∼0.3-0.7 A/cm at 4.5 K, corresponding to a bulk current density of ∼2-5 MA/cm2. These values are among the largest ever reported for BSCCO single crystals, thin-films and tapes.
Solution-processed, Self-organized Organic Single Crystal Arrays with Controlled Crystal Orientation

PubMed Central

Kumatani, Akichika; Liu, Chuan; Li, Yun; Darmawan, Peter; Takimiya, Kazuo; Minari, Takeo; Tsukagoshi, Kazuhito

2012-01-01

A facile solution process for the fabrication of organic single crystal semiconductor devices which meets the demand for low-cost and large-area fabrication of high performance electronic devices is demonstrated. In this paper, we develop a bottom-up method which enables direct formation of organic semiconductor single crystals at selected locations with desired orientations. Here oriented growth of one-dimensional organic crystals is achieved by using self-assembly of organic molecules as the driving force to align these crystals in patterned regions. Based upon the self-organized organic single crystals, we fabricate organic field effect transistor arrays which exhibit an average field-effect mobility of 1.1 cm2V−1s−1. This method can be carried out under ambient atmosphere at room temperature, thus particularly promising for production of future plastic electronics. PMID:22563523
Melt growth and properties of bulk BaSnO3 single crystals

NASA Astrophysics Data System (ADS)

Galazka, Z.; Uecker, R.; Irmscher, K.; Klimm, D.; Bertram, R.; Kwasniewski, A.; Naumann, M.; Schewski, R.; Pietsch, M.; Juda, U.; Fiedler, A.; Albrecht, M.; Ganschow, S.; Markurt, T.; Guguschev, C.; Bickermann, M.

2017-02-01

We present the first-time growth of bulk BaSnO3 single crystals from the melt by direct solidification, their basic electrical and optical properties as well as their structural quality. Our measurement of the melting point (MP) of BaSnO3 amounts to 1855 °C ± 25 K. At this temperature an intensive decomposition and non-stoichiometric evaporation takes place as the partial pressure of SnO(g) is about 90 times higher than that of BaO(g). X ray powder diffraction identified only the BaSnO3 perovskite phase, while narrow rocking curves having a full width at half maximum of 26 arcsec and etch pit densities below 106 cm-2 confirm a high degree of structural perfection of the single crystals. In this respect they surpass the structural properties of those single crystals that were reported in the literature. The electrical conductivity of nominally undoped crystals depends on the growth conditions and ranges from insulating to medium n-type conductivity. After post-growth annealing in an oxidizing atmosphere undoped crystals are generally insulating. Doping the crystals with lanthanum during growth results in a high n-type conductivity. For a La doping concentration of 0.123 wt.% we measured an electron concentration of 3.3 × 1019 cm-3 and an electron mobility of 219 cm2 V-1 s-1. Based on optical absorption measurements we determined an energy of 3.17 ± 0.04 eV at 5 K and of 2.99 ± 0.04 eV at 297 K for the indirect band gap of BaSnO3.
The perfection and defect structure of organic hourglass inclusion K 2SO 4 crystals

NASA Astrophysics Data System (ADS)

Vetter, William M.; Totsuka, Hirono; Dudley, Michael; Kahr, Bart

2002-06-01

Hourglass inclusion crystals of K 2SO 4 were grown from aqueous solutions containing the dye acid fuchsin, and studied by synchrotron white-beam X-ray topography and reciprocal space mapping. Both self-nucleated and larger, seeded dye-included crystals were prepared, as well as comparable undoped crystals. While the dye modified the crystals' habit strongly, X-ray topographs showed it had no influence on their dislocation configurations, which were typical for solution-grown crystals. No kinematical contrast arising from the presence of the dye was observed that indicated dye-induced strain in the crystal lattice. Growth sector boundaries were visible in the dyed crystals but not in undoped crystals, implying there was a slightly higher lattice mismatch across growth sector boundaries in the dye-included crystals. Reciprocal space maps of small areas on an hourglass inclusion crystal within either a dye-included growth sector or an undoped growth sector showed single peaks with the same perfect crystal rocking curve width and no dilatation or tilt of the host lattice resulting from the dye's presence. These results showed hourglass inclusion crystals can be grown in which the presence of the dye disturbs the crystalline structure of the host salt minimally, and that hourglass inclusions have the nature of a solid solution.
PbF2-based single crystals and phase diagrams of PbF2-MF2 systems (M = Mg, Ca, Sr, Ba, Cd)

NASA Astrophysics Data System (ADS)

Buchinskaya, I. I.; Fedorov, Pavel P.; Sobolev, B. P.

1997-07-01

Optical grade single crystals of Pb0.67Cd0.33F2 and Pb1-xCaxF2 (x less than 0.05) were grown by the Bridgman technique in graphite crucibles under fluorinating atmosphere of teflon pyrolysis products. For determinations of concentration areas of solid solutions, suitable for crystal growth, the phase interactions in the systems PbF2 with fluorides of alkaline-earth elements and Cd were studied by DTA and x-ray powder diffraction techniques. Phase diagrams were described by corresponding thermodynamic models. Transition from pure PbF2 to two- component Pb0.67Cd0.33F2 crystal is accompanied by some increase in radiation hardness of the latter and positive changes of mechanical characteristics (the Pb0.67Cd0.33F2 composition microhardness is 147 plus or minus 5 kg/mm2 that is 5 times that of a pure lead fluoride, 28 plus or minus 4 kg/mm2). These solid solutions have a cubic Fm3m fluorite-type lattice as a high-temperature modification of PbF2.
Selective Metal Cation Capture by Soft Anionic Metal-Organic Frameworks via Drastic Single-Crystal-to-Single-Crystal Transformations

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

Tian, Jian; Saraf, Laxmikant V.; Schwenzer, Birgit

2012-05-25

Flexible anionic metal-organic frameworks transform to neutral heterobimetallic systems via single-crystal-to-single-crystal processes invoked by cation insertion. These transformations are directed by cooperative bond breakage and formation, resulting in expansion or contraction of the 3D framework by up to 33% due to the flexible nature of the organic linker. These MOFs displays highly selective uptake of divalent transition metal cations (Co2+ and Ni2+ for example) over alkali metal cations (Li+ and Na+).
Desolvation-Driven 100-Fold Slow-down of Tunneling Relaxation Rate in Co(II)-Dy(III) Single-Molecule Magnets through a Single-Crystal-to-Single-Crystal Process

NASA Astrophysics Data System (ADS)

Liu, Jun-Liang; Wu, Jie-Yi; Huang, Guo-Zhang; Chen, Yan-Cong; Jia, Jian-Hua; Ungur, Liviu; Chibotaru, Liviu F.; Chen, Xiao-Ming; Tong, Ming-Liang

2015-11-01

Single-molecule magnets (SMMs) are regarded as a class of promising materials for spintronic and ultrahigh-density storage devices. Tuning the magnetic dynamics of single-molecule magnets is a crucial challenge for chemists. Lanthanide ions are not only highly magnetically anisotropic but also highly sensitive to the changes in the coordination environments. We developed a feasible approach to understand parts of the magneto-structure correlations and propose to regulate the relaxation behaviors via rational design. A series of Co(II)-Dy(III)-Co(II) complexes were obtained using in situ synthesis; in this system of complexes, the relaxation dynamics can be greatly improved, accompanied with desolvation, via single-crystal to single-crystal transformation. The effective energy barrier can be increased from 293 cm-1 (422 K) to 416 cm-1 (600 K), and the tunneling relaxation time can be grown from 8.5 × 10-4 s to 7.4 × 10-2 s. These remarkable improvements are due to the change in the coordination environments of Dy(III) and Co(II). Ab initio calculations were performed to better understand the magnetic dynamics.
Crystallization kinetics from mixture Na2SO4/glycerol droplets of Na2SO4 by FTIR-ATR

NASA Astrophysics Data System (ADS)

Tan, Dan-Ting; Cai, Chen; Zhang, Yun; Wang, Na; Pang, Shu-Feng; Zhang, Yun-Hong

2016-08-01

The efflorescence of mixed Na2SO4/glycerol aerosols on the ZnSe substrate with various mole ratios (Na2SO4/glycerol = 1:1, 1:2, 1:4) has been studied in the relative humidity (RH) linearly decline process, using a situ Fourier transform infrared attenuated total reflection (FTIR-ATR) technique. The crystal ratio at a given RH can be gained by the absorbance of the band at 1132 cm-1, which shows the incomplete nucleation for mixed Na2SO4/glycerol aerosols and the decreased amount of the droplets crystallized at the lowest RH with the glycerol increase. Using the volume fraction of droplets that have yet to crystallize, the heterogeneous nucleation kinetics has been gained. By the Extended Aerosol Inorganics Model (E-AIM), the nucleation rate as the function of solute saturation degree has been gained for various mixed Na2SO4/glycerol aerosols.
Crystal growth, characterization and theoretical studies of 4-aminopyridinium picrate

NASA Astrophysics Data System (ADS)

Aditya Prasad, A.; Muthu, K.; Rajasekar, M.; Meenatchi, V.; Meenakshisundaram, S. P.

2015-01-01

Single crystals of 4-aminopyridinium picrate (APP) were grown by slow evaporation of a mixed solvent system methanol-acetone (1:1, v/v) containing equimolar quantities of 4-aminopyridine and picric acid. Structure is elucidated by single crystal XRD analysis and the crystal belongs to monoclinic system with four molecules in the unit cell (space group P21/c) and the cell parameter values are, a = 8.513 Å (±0.015), b = 11.33 Å (±0.02), c = 14.33 Å (±0.03) and β = 104.15° (±0.019), V = 1340 A3 (±6) with refined R factors R1 = 0.0053 and wR2 = 0.0126. The electron density mapping is interpreted to find coordinates for each atom in the crystallized molecules. The various functional groups present in the molecule are confirmed by FT-IR analysis. UV-visible spectral analysis was used to determine the band gap energy of 4-aminopyridinium picrate. Powder X-ray diffraction pattern reveals the crystallinity of the as-grown crystal and it closely resembles the simulated XRD from the single crystal XRD analysis. Scanning electron microscopy reveals the surface morphology of the grown crystal. Optimized geometry is derived by Hartree-Fock theory calculations and the first-order molecular hyperpolarizability (β), theoretically calculated bond length, bond angles and excited state energy from theoretical UV-vis spectrum were estimated.

Investigation on synthesis, growth and characterization of CdIn2S2Se2 single crystal grown by vertical Bridgman method

NASA Astrophysics Data System (ADS)

Vijayakumar, P.; Ramasamy, P.

2017-06-01

CdIn2S2Se2 polycrystalline material has been synthesized by melt oscillation method. Vertical Bridgman method was used to grow a good quality CdIn2S2Se2 single crystal. The crystalline phase and growth orientation were confirmed by powder X-ray diffraction pattern and unit cell parameters were determined by single crystal X-ray diffraction analysis. The structural uniformity of CdIn2S2Se2 was studied using Raman scattering spectroscopy at room temperature. The stoichiometric composition variation along the CdIn2S2Se2 was measured using energy dispersive spectrometry. The transmission spectra of CdIn2S2Se2 single crystal gave 42% transmission in the NIR region. Thermal property of CdIn2S2Se2 has been studied using differential thermal analysis. Thermal diffusivity, specific heat capacity and thermal conductivity were also measured. Electrical property was measured using Hall Effect measurement and it confirms the n-type semiconducting nature. The hardness behavior has been measured using Vickers micro hardness measurement and the indentation size effect has been observed.
Single crystal growth and characterization of pure and sodium-modified copper tartrate

NASA Astrophysics Data System (ADS)

Quasim, I.; Firdous, A.; Want, B.; Khosa, S. K.; Kotru, P. N.

2008-12-01

Single crystal growth of pure and modified copper tartrate crystals bearing composition (Cu) x(Na) yC 4H 4O 6· nH 2O (where x=1, 0.77, 0.65; y=0, 0.23, 0.35) is achieved using gel technique. The optimum conditions required for the growth of these crystals are worked out. The morphological development of these crystals is studied using optical and scanning electron microscopy. The dominant habit faces of the grown copper tartrate crystals are (0 0 1) and (1 1 1). Calculation of the cell parameters using CRYSFIRE software suggests that the pure copper tartrate crystal belongs to orthorhombic system with space group P2 1/c whereas the modified copper tartrate falls under tetragonal system with the space group P4 2/nbc. The external morphological development is shown to remain unaffected in the modified copper tartrate. The stoichiometric composition of the crystals is established by EDAX analysis, CH analysis, FTIR spectroscopy and thermoanalytical techniques. Thermal analysis of the grown crystals suggests that pure copper tartrate is thermally stable up to 42.84 °C whereas the modified copper tartrate crystals are stable only up to 33.11 and 25.11 °C. Calculation of the percentage weight loss from the thermogram supplemented by EDAX/CH analysis and FTIR spectroscopy suggest that the chemical formula of pure copper tartrate crystal is CuC 4H 4O 6·3H 2O whereas the chemical formula for the modified copper tartrate crystals is (Cu) 0.77(Na) 0.23C 4H 4O 6·3H 2O and (Cu) 0.65(Na) 0.35 C 4H 4O 6·H 2O.
Chiral plaquette polaron theory of cuprate superconductivity

NASA Astrophysics Data System (ADS)

Tahir-Kheli, Jamil; Goddard, William A., III

2007-07-01

Ab initio density functional calculations on explicitly doped La2-xSrxCuO4 find that doping creates localized holes in out-of-plane orbitals. A model for cuprate superconductivity is developed based on the assumption that doping leads to the formation of holes on a four-site Cu plaquette composed of the out-of-plane A1 orbitals apical Opz , planar Cud3z2-r2 , and planar Opσ . This is in contrast to the assumption of hole doping into planar Cudx2-y2 and Opσ orbitals as in the t-J model. Allowing these holes to interact with the d9 spin background leads to chiral polarons with either a clockwise or anticlockwise charge current. When the polaron plaquettes percolate through the crystal at x≈0.05 for La2-xSrxCuO4 , a Cudx2-y2 and planar Opσ band is formed. The computed percolation doping of x≈0.05 equals the observed transition to the “metallic” and superconducting phase for La2-xSrxCuO4 . Spin exchange Coulomb repulsion with chiral polarons leads to d -wave superconducting pairing. The equivalent of the Debye energy in phonon superconductivity is the maximum energy separation between a chiral polaron and its time-reversed partner. This energy separation is on the order of the antiferromagnetic spin coupling energy, Jdd˜0.1eV , suggesting a higher critical temperature. An additive skew-scattering contribution to the Hall effect is induced by chiral polarons and leads to a temperature dependent Hall effect that fits the measured values for La2-xSrxCuO4 . The integrated imaginary susceptibility, observed by neutron spin scattering, satisfies ω/T scaling due to chirality and spin-flip scattering of polarons along with a uniform distribution of polaron energy splittings. The derived functional form is compatible with experiments. The static spin structure factor for chiral spin coupling of the polarons to the undoped antiferromagnetic Cud9 spins is computed for classical spins on large two-dimensional lattices and is found to be incommensurate with a
Growth and electrical properties of (Mn,F) co-doped 0.92Pb(Zn 1/3Nb 2/3)O 3-0.08PbTiO 3 single crystal

NASA Astrophysics Data System (ADS)

Zhang, Shujun; Lebrun, Laurent; Randall, Clive A.; Shrout, Thomas R.

2004-06-01

The growth and characterization of (Mn,F) doped Pb(Zn 1/3Nb 2/3)O 3-PbTiO 3 (PZNT) single crystals are reported in this paper. The typical single crystal obtained is up to 30 mm size with dark brown color. The crystal lattice parameters of doped PZNT crystal are slightly decreased compared to the pure one. The room temperature dielectric permittivity along <0 0 1> direction is about 6000, which is lower than that of the pure PZNT8 because of the dopants. The Curie temperature of the doped crystal is about 180°C while the ferroelectric phase transition temperature is around 100°C, which are higher than those of the pure PZNT8 single crystal. The remnant polarization and coercive field of <0 0 1> oriented doped crystal measured at 1 Hz and 10 kV/cm field are about 27 μC/cm 2 and 4.2 kV/cm, respectively. The room temperature mechanical quality factor is ˜300. Piezoelectric coefficient of <0 0 1> oriented doped crystal is higher than 3500 pC/N and the longitudinal electromechanical coupling factor is larger than 93%. The piezoelectric properties of doped PZNT single crystal with temperature and orientations are also reported in this paper. The valence state of the manganese dopant was determined by electron spin resonance, indicating no Mn 4+ in the crystals, suggesting the valence of manganese ions in PZNT crystals may be 2+, which acts as a hardener, stabilizes the domain wall and pins the domain wall motion, on the other hand, the dopant will enter Ti 4+ position, shifting the crystal composition to higher PT content.
A Co2+-doped alumina-rich Mg0.4Al2.4O4 spinel crystal as saturable absorber for a LD pumped Er: glass microchip laser at 1535 nm

NASA Astrophysics Data System (ADS)

Jiang, D. P.; Zou, Y. Q.; Su, L. B.; Tang, H. L.; Wu, F.; Zheng, L. H.; Li, H. J.; Xu, J.

2011-05-01

Co2+-doped Mg0.4Al2.4O4 single crystal up to varnothing28×40 mm3 was successfully grown by the Czochralski method. By using this crystal as saturable absorber, we have demonstrated a diode-end-pumped passively Q-switched Er:glass microchip laser operating at 1535 nm for the first time to the best of our knowledge. The dependences of average output power, repetition rate and pulse energy on the incident pump power were investigated. In the passive Q-switching regime, a maximum average output power of 22.12 mW was obtained at the incident pump power of 410 mW. The narrowest pulse width, the largest pulse energy and the highest peak power were obtained to be about 3.5 ns, 4.8 μJ, and 1.37 kW, respectively.
Melt growth of zinc aluminate spinel single crystal by the micro-pulling down method under atmospheric pressure

NASA Astrophysics Data System (ADS)

Kamada, K.; Shoji, Y.; Yamaji, A.; Kurosawa, S.; Yokota, Yuui; Ohashi, Y.; Kim, Kyoung Jin; Ivanov, M.; Kochurikhin, V. V.; Yoshikawa, A.

2018-06-01

ZnAl2O4 crystals were grown using few starting compositions with various ZnO:AlO3/2 ratio using an Ir wire seed and Ir + Re crucible under ordinary pressure with Ar + 2%O2 atmosphere by the radiofrequency heating μ-PD furnace. The ZnAl2O4 spinel single crystal with 4 mm diameter could be successfully grown by the μ-PD method by optimization of starting melt composition considering with Zinc oxide evaporation. During 10 min of growth under normal pressure the formation of ZnAl2O4 single phase observed even at high vapor pressure of ZnO. The transmittance spectra and X-ray locking curve were measured for evaluating of grown ZnAl2O4 crystals quality.
Point-contact spectroscopic studies on normal and superconducting AFe2As2-type iron pnictide single crystals

NASA Astrophysics Data System (ADS)

Lu, Xin; Park, W. K.; Yuan, H. Q.; Chen, G. F.; Luo, G. L.; Wang, N. L.; Sefat, A. S.; McGuire, M. A.; Jin, R.; Sales, B. C.; Mandrus, D.; Gillett, J.; Sebastian, Suchitra E.; Greene, L. H.

2010-05-01

Point-contact Andreev reflection spectroscopy is applied to investigate the gap structure in iron pnictide single-crystal superconductors of the AFe2As2 (A = Ba, Sr) family ('Fe-122'). The observed point-contact junction conductance curves, G(V), can be divided into two categories: one where Andreev reflection is present for both (Ba0.6K0.4)Fe2As2 and Ba(Fe0.9Co0.1)2As2, and the other with a V2/3 background conductance universally observed, extending even up to 100 meV for Sr0.6Na0.4Fe2As2 and Sr(Fe0.9Co0.1)2As2. The latter is also observed in point-contact junctions on the nonsuperconducting parent compound BaFe2As2 and superconducting (Ba0.6K0.4)Fe2As2 crystals. Mesoscopic phase-separated coexistence of magnetic and superconducting orders is considered to explain distinct behaviors in the superconducting samples. For Ba0.6K0.4Fe2As2, double peaks due to Andreev reflection with a strongly sloping background are frequently observed for point contacts on freshly cleaved c-axis surfaces. If normalized using a background baseline and analyzed using the Blonder-Tinkham-Klapwijk model, the data show a gap size of ~ 3.0-4.0 meV with 2Δ0/kBTc ~ 2.0-2.6, consistent with the smaller gap size reported for the LnFeAsO family ('Fe-1111'). For the Ba(Fe0.9Co0.1)2As2, the G(V) curves typically display a zero-bias conductance peak.
Growth and physicochemical properties of second-order nonlinear optical 2-amino-5-chloropyridinium trichloroacetate single crystals

NASA Astrophysics Data System (ADS)

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

NASA Astrophysics Data System (ADS)

Anis, Mohd; Hakeem, D. A.; Muley, G. G.

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.
Single crystal growth of submillimeter diameter sapphire tube by the micro-pulling down method

NASA Astrophysics Data System (ADS)

Kamada, Kei; Murakami, Rikito; Kochurikhin, Vladimir V.; Luidmila, Gushchina; Jin Kim, Kyoung; Shoji, Yasuhiro; Yamaji, Akihiro; Kurosawa, Shunsuke; Ohashi, Yuji; Yokota, Yuui; Yoshikawa, Akira

2018-06-01

This paper addresses several aspects of the μ-PD growth technology as applied to submillimeter diameter sapphire tubes for UFD application. The μ-PD method has been successfully adapted for single crystal sapphire tube growth. A compound crucible made possible the growth of single crystal sapphire tube as small as around 0.70-0.72 mm in outer diameter and 0.28-0.29 in inner diameter over 160 mm in length at growth rate of 2-4 mm/min along 〈0 0 1〉 direction. An Ir crucible with a die composed of an equivalent hole and Ir wire was heated by RF coil in N2 atmosphere. The μ-PD method has been successfully adapted for single crystal sapphire tube growth. Grown crystal tube showed good XRC value of 30.2 arcsec.
Single- and dual-wavelength laser operation of a diode-pumped Nd:LaF3 single crystal around 1.05 μm and 1.32 μm

NASA Astrophysics Data System (ADS)

Xu, Bin; Huang, Xiaoxu; Lan, Jinglong; Lin, Zhi; Wang, Yi; Xu, Huiying; Cai, Zhiping; Moncorgé, Richard

2016-07-01

Calibrated room temperature polarized emission spectra recorded between 850 and 1400 nm and nearly free from any reabsorption effect are presented for the first time. A laser output power of 2.35 W is obtained at 1063.45 nm with a laser slope efficiency of about 56% by pumping an uncoated Nd:LaF3 single crystal with a fiber-coupled laser diode at 790 nm inside a standard two-mirror linear laser cavity. True dual-wavelength laser operation on two orthogonally polarized laser lines around 1040 and 1065 nm as well as continuous laser wavelength tuning around 1040 nm, 1048 nm and 1064 nm are also achieved for the first time by using either an intracavity etalon or a birefringent filter. Laser operation is finally obtained around 1330.73 nm with a maximum output power of 0.18 W and a laser slope efficiency of about 4% and simultaneous dual-wavelength laser operation at 1329.04 and 1359.67 nm is demonstrated by using a glass etalon.
Crystal structure and magnetic properties of Sr 4Mn 2NiO 9

NASA Astrophysics Data System (ADS)

El Abed, Ahmed; Gaudin, Etienne; Lemaux, Sylvain; Darriet, Jacques

2001-12-01

The crystal structure of Sr 4Mn 2NiO 9 has been refined on single crystal. This phase belongs to the series A 1+ x(A 'xB 1- x)O 3 ( x=1/3) related to the 2H-hexagonal perovskite. The structure contains transition metals in chains of oxide polyhedra (trigonal prisms and octahedra); neighboring chains are separated from each other by the Sr atoms. The sequence of the face sharing polyhedra along the chains is two octahedra + one trigonal prism. Mn occupies the octahedra and Ni is disordered in the trigonal prism with ≈80% in the pseudo square faces of the prism and ≈20% at the centre. This result has been confirmed by XANES experiments at Mn K and Ni K edges, respectively. Sr 4Mn 2NiO 9 is antiferromagnetic with a Néel temperature at T=3 K. The Curie constant measured at high temperature is in good agreement with ≈80% of the Ni 2+ ions in the spin state configuration S=0.
Effect of Fe-substitution on the structure and magnetism of single crystals Mn2-xFexBO4

NASA Astrophysics Data System (ADS)

Platunov, M. S.; Kazak, N. V.; Knyazev, Yu. V.; Bezmaternykh, L. N.; Moshkina, E. M.; Trigub, A. L.; Veligzhanin, A. A.; Zubavichus, Y. V.; Solovyov, L. A.; Velikanov, D. A.; Ovchinnikov, S. G.

2017-10-01

Single crystalline Mn2-xFexBO4 with x = 0.3, 0.5, 0.7 grown by the flux method have been studied by means of X-ray diffraction and X-ray absorption spectroscopy at both Mn and Fe K edges. The compounds were found to crystallize in an orthorhombic warwickite structure (sp. gr. Pnam). The lattice parameters change linearly with x thus obeying the Vegard's law. The Fe3+ substitution for Mn3+ has been deduced from the X-ray absorption near-edge structure (XANES) spectra. Two energy positions of the absorption edges have been observed in Mn K-edge XANES spectra indicating the presence of manganese in two different oxidation states. Extended X-ray absorption fine structure (EXAFS) analysis has shown the reduction of local structural distortions upon Fe substitution. The magnetization data have revealed a spin-glass transition at TSG = 11, 14 and 18 K for x = 0.3, 0.5 and 0.7, respectively.
Crystallization processes in Ge{sub 2}Sb{sub 2}Se{sub 4}Te glass

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

Svoboda, Roman, E-mail: roman.svoboda@upce.cz; Bezdička, Petr; Gutwirth, Jan

2015-01-15

Highlights: • Crystallization kinetics of Ge{sub 2}Sb{sub 2}Se{sub 4}Te glass was studied in dependence on particle size by DSC. • All studied fractions were described in terms of the SB autocatalytic model. • Relatively high amount of Te enhances manifestation of bulk crystallization mechanisms. • XRD analysis of samples crystallized under different conditions showed correlation with DSC data. • XRD analysis revealed a new crystallization mechanism indistinguishable by DSC. - Abstract: Differential scanning calorimetry (DSC) and X-ray diffraction (XRD) analysis were used to study crystallization in Ge{sub 2}Sb{sub 2}Se{sub 4}Te glass under non-isothermal conditions as a function of the particlemore » size. The crystallization kinetics was described in terms of the autocatalytic Šesták–Berggren model. An extensive discussion of all aspects of a full-scale kinetic study of a crystallization process was undertaken. Dominance of the crystallization process originating from mechanically induced strains and heterogeneities was confirmed. Substitution of Se by Te was found to enhance the manifestation of the bulk crystallization mechanisms (at the expense of surface crystallization). The XRD analysis showed significant dependence of the crystalline structural parameters on the crystallization conditions (initial particle size of the glassy grains and applied heating rate). Based on this information, a new microstructural crystallization mechanism, indistinguishable by DSC, was proposed.« less
4D visualization of embryonic, structural crystallization by single-pulse microscopy

PubMed Central

Kwon, Oh-Hoon; Barwick, Brett; Park, Hyun Soon; Baskin, J. Spencer; Zewail, Ahmed H.

2008-01-01

In many physical and biological systems the transition from an amorphous to ordered native structure involves complex energy landscapes, and understanding such transformations requires not only their thermodynamics but also the structural dynamics during the process. Here, we extend our 4D visualization method with electron imaging to include the study of irreversible processes with a single pulse in the same ultrafast electron microscope (UEM) as used before in the single-electron mode for the study of reversible processes. With this augmentation, we report on the transformation of amorphous to crystalline structure with silicon as an example. A single heating pulse was used to initiate crystallization from the amorphous phase while a single packet of electrons imaged selectively in space the transformation as the structure continuously changes with time. From the evolution of crystallinity in real time and the changes in morphology, for nanosecond and femtosecond pulse heating, we describe two types of processes, one that occurs at early time and involves a nondiffusive motion and another that takes place on a longer time scale. Similar mechanisms of two distinct time scales may perhaps be important in biomolecular folding. PMID:18562291
High Pressure Single Crystal Diffraction at PX 2

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

Zhang, Dongzhou; Dera, Przemyslaw K.; Eng, Peter J.

2017-01-01

In this report, we describe detailed procedures for carrying out single crystal X-ray diffraction experiments with a diamond anvil cell at the GSECARS 13-BM-C beamline at the Advanced Photon Source. ATREX and RSV programs are used to analyze the data.
Anisotropic constitutive modeling for nickel-base single crystal superalloys. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Sheh, Michael Y.

1988-01-01

An anisotropic constitutive model was developed based on crystallographic slip theory for nickel base single crystal superalloys. The constitutive equations developed utilizes drag stress and back stress state variables to model the local inelastic flow. Specially designed experiments were conducted to evaluate the existence of back stress in single crystal superalloy Rene N4 at 982 C. The results suggest that: (1) the back stress is orientation dependent; and (2) the back stress state variable is required for the current model to predict material anelastic recovery behavior. The model was evaluated for its predictive capability on single crystal material behavior including orientation dependent stress-strain response, tension/compression asymmetry, strain rate sensitivity, anelastic recovery behavior, cyclic hardening and softening, stress relaxation, creep and associated crystal lattice rotation. Limitation and future development needs are discussed.
Synthesis, crystal growth and characterization of bioactive material: 2- Amino-1H-benzimidazolium pyridine-3-carboxylate single crystal- a proton transfer molecular complex

NASA Astrophysics Data System (ADS)

Fathima, K. Saiadali; Kavitha, P.; Anitha, K.

2017-09-01

The 1:1 molecular adducts 2- Amino-1H-benzimidazolium pyridine-3-carboxylate (2ABPC) was synthesized and grown as single crystal where 2-aminobenzimidazole (ABI) acts as a donor and nicotinic acid (NA) acts as an acceptor. The presence of proton and carbon were predicted using 1H and 13C NMR spectral analysis. The molecular structure of the crystal was elucidated by subjecting the grown crystals to the single crystal x-ray diffraction analysis and was refined by full matrix least-squares method to R = 0.038 for 2469 reflections. The vibrational modes of functional group have been studied using FTIR and Raman spectroscopic analysis. The UV-Vis spectrum exhibited a visible band at 246 nm for 2ABPC due to the nicotinate anion of the molecule. Further, the antimicrobial activity of 2ABPC complex against B. subtilis, klebsiella pneumonia, Pseudomonas eruginos and E. coli pathogens was investigated. Minimum Inhibitory Concentration (MIC) for this crystal was obtained using UV spectrometer against MRSA pathogen. It was found that the benzimidazole with aminogroup at position 2 increases the general antimicrobial activities of 2ABPC crystal.
Synthesis, spectroscopic characterization, crystal structure, DNA interaction study and invitro biological screenings of 4-(5-chloro-2-hydroxyphenylamino)-4-oxobut-2-enoic acid

NASA Astrophysics Data System (ADS)

Sirajuddin, Muhammad; Nooruddin; Ali, Saqib; McKee, Vickie; Khan, Shahan Zeb; Malook, Khan

2015-01-01

The titled compound, 4-(5-chloro-2-hydroxyphenylamino)-4-oxobut-2-enoic acid was synthesized and characterized by various techniques like elemental analyses, FT-IR, NMR (1H, and 13C) and single crystal X-ray structural analysis. The appearance of the OH peak of the carboxylic acid in the FT-IR and NMR spectra conform the formation of the compound. A good agreement was found between the calculated values of C, H, N and found values in elemental analysis that show the purity of the compound. Protons H2 and H3 are in cis conformation with each other as conformed both from 1H NMR as well as from single crystal X-ray analysis. The molecular structure of the title compound, C10H10NO3Cl, is stabilized by short intramolecular Osbnd H- - -O hydrogen bonds within the molecule. In the crystal structure, intermolecular Nsbnd H- - -O hydrogen bonds link molecules into zigzag chains resulting in a dendrimer like structure. The title compound was screened for biological activities like interaction with DNA, cytotoxicity, antitumor and antioxidant activities. DNA interaction study reveals that the binding mode of interaction of the compound with SS-DNA is intercalative as it results in hypochromism along with significant red shift of 5 nm. It was also found to be effective antioxidant of 2,2-diphenyl-1-picrylhydrazyl radical (DPPH) and show almost comparable antioxidant activity to that of the standard and known antioxidant, ascorbic acid, at higher concentration. The antitumor activity data of the compound shows that it can be used as potent antitumor agent.
Electrical resistivity measurements on fragile organic single crystals in the diamond anvil cell

NASA Astrophysics Data System (ADS)

Adachi, T.; Tanaka, H.; Kobayashi, H.; Miyazaki, T.

2001-05-01

A method of sample assembly for four-probe resistivity measurements on fragile organic single crystals using a diamond anvil cell is presented. A procedure to keep insulation between the metal gasket and four leads of thin gold wires bonded to the sample crystal by gold paint is described in detail. The resistivity measurements performed on a single crystal of an organic semiconductor and that of neutral molecules up to 15 GPa and down to 4.2 K showed that this new procedure of four-probe diamond anvil resistivity measurements enables us to obtain sufficiently accurate resistivity data of organic crystals.

Synthesis and Structural Features of [4,4'-Diisopropoxyester-2,2'-bipyridine], [Dichloro(4,4'-diisopropoxyester-2,2'-bi-pyridine)-platinum(ii)] and Its Dichloromethane Solvated Pseudo-Polymorph: Versatile Supramolecular Interactions

DOE PAGES

Browning, Charles; Nesterov, Vladimir N.; Wang, Xiaoping; ...

2015-06-03

We report that the organic ligand 4,4'-diisopropoxyester-2,2'-bipyridine, C 18H 20N 2O 4 (1), crystallizes in the triclinic crystal system P-1 and the molecule occupies a special position in the unit cell. In the crystal, molecules form stacks with partial overlapping of the pyridine rings. The Pt(II) dichloro complex of 1 crystallizes from a mixture of ethanol/hexane and from dichloromethane to form orange and yellow crystals, respectively. The orange non-solvated crystals of the (bipyridine)(dichloro)platinum(II) complex C 18H 20N 2O 4PtCl 2 (2) crystallize in the triclinic crystal system P-1 as well with two independent molecules in the unit cell. In themore » crystal packing, molecules form two types of dimers with Pt1 ··· Pt1A and Pt2···Pt2A distances of 3.478 and 5.186 angstrom respectively. The yellow crystals, as a solvated pseudo-polymorph C 18H 20N 2O 4PtCl 2·1.5 CH 2Cl 2 (3) also crystallize in the triclinic crystal system P-1 with two independent molecules in the unit cell. In the crystal packing, molecules form Pt2 ···Pt1 ···Pt1A ···Pt2A intermolecular contacts with alternating distances 3.501 and 3.431 angstrom, respectively, forming infinite chains. Graphical Abstract The dichloro(bipyridine)platinum complex, dichloro(4,4'-diisopropoxyester-2,2'-bipyridine)platinum(II), forms single crystals as a stable non-solvated form and a solvated polymorph with dramatically different supramolecular structure and short contacts.« less
Synthesis and Structural Features of [4,4'-Diisopropoxyester-2,2'-bipyridine], [Dichloro(4,4'-diisopropoxyester-2,2'-bi-pyridine)-platinum(ii)] and Its Dichloromethane Solvated Pseudo-Polymorph: Versatile Supramolecular Interactions

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

Browning, Charles; Nesterov, Vladimir N.; Wang, Xiaoping

We report that the organic ligand 4,4'-diisopropoxyester-2,2'-bipyridine, C 18H 20N 2O 4 (1), crystallizes in the triclinic crystal system P-1 and the molecule occupies a special position in the unit cell. In the crystal, molecules form stacks with partial overlapping of the pyridine rings. The Pt(II) dichloro complex of 1 crystallizes from a mixture of ethanol/hexane and from dichloromethane to form orange and yellow crystals, respectively. The orange non-solvated crystals of the (bipyridine)(dichloro)platinum(II) complex C 18H 20N 2O 4PtCl 2 (2) crystallize in the triclinic crystal system P-1 as well with two independent molecules in the unit cell. In themore » crystal packing, molecules form two types of dimers with Pt1 ··· Pt1A and Pt2···Pt2A distances of 3.478 and 5.186 angstrom respectively. The yellow crystals, as a solvated pseudo-polymorph C 18H 20N 2O 4PtCl 2·1.5 CH 2Cl 2 (3) also crystallize in the triclinic crystal system P-1 with two independent molecules in the unit cell. In the crystal packing, molecules form Pt2 ···Pt1 ···Pt1A ···Pt2A intermolecular contacts with alternating distances 3.501 and 3.431 angstrom, respectively, forming infinite chains. Graphical Abstract The dichloro(bipyridine)platinum complex, dichloro(4,4'-diisopropoxyester-2,2'-bipyridine)platinum(II), forms single crystals as a stable non-solvated form and a solvated polymorph with dramatically different supramolecular structure and short contacts.« less
Thin film colossal dielectric constant oxide La2-xSrxNiO4: Synthesis, dielectric relaxation measurements, and electrode effects

NASA Astrophysics Data System (ADS)

Podpirka, Adrian; Ramanathan, Shriram

2011-01-01

We have successfully synthesized the colossal dielectric constant oxide La2-xSrxNiO4 in thin film form by reactive cosputtering from metallic targets and careful annealing protocols. Composition and phase purity was determined through energy dispersive spectra and x-ray diffraction, respectively. The dielectric constant exceeds values of over 20 000 up to 1 kHz and the activation energy for the frequency-independent conductivity plateau was extracted to be approximately 155 meV from 300 to 473 K, both in agreement with measurements conducted on bulk single crystals. However, unlike in single crystals, we observe early onset of relaxation in thin films indicating the crucial role of grain boundaries in influencing the dielectric response. ac conductivity at varying temperatures is analyzed within the framework of the universal dielectric law leading to an exponent of approximately 0.3, dependent on the electrode material. Impedance spectroscopy with electrodes of different work function (Pt, Pd, and Ag) was further carried out as a function of temperature and applied bias to provide mechanistic insights into the nature of the dielectric response.
Structural disorder and elementary magnetic properties of triangular lattice ErMgGaO 4 single crystals

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

Cevallos, F. Alex; Stolze, Karoline; Cava, Robert J.

The single crystal growth, structure, and basic magnetic properties of ErMgGaO 4 are reported. The structure consists of triangular layers of magnetic ErO 6 octahedra separated by a double layer of randomly occupied non-magnetic (Ga,Mg)O 5 bipyramids. The Er atoms are positionally disordered. Magnetic measurements parallel and perpendicular to the c axis of a single crystal reveal dominantly antiferromagnetic interactions, with a small degree of magnetic anisotropy. A weighted average of the directional data suggests an antiferromagnetic Curie Weiss temperature of approximately -30 K. Below 10 K the temperature dependences of the inverse susceptibilities in the in-plane and perpendicular-to planemore » directions are parallel, indicative of an isotropic magnetic moment at low temperatures. In conclusion, no sign of magnetic ordering is observed above 1.8 K, suggesting that ErMgGaO 4 is a geometrically frustrated magnet.« less
Structural disorder and elementary magnetic properties of triangular lattice ErMgGaO 4 single crystals

DOE PAGES

Cevallos, F. Alex; Stolze, Karoline; Cava, Robert J.

2018-03-23

The single crystal growth, structure, and basic magnetic properties of ErMgGaO 4 are reported. The structure consists of triangular layers of magnetic ErO 6 octahedra separated by a double layer of randomly occupied non-magnetic (Ga,Mg)O 5 bipyramids. The Er atoms are positionally disordered. Magnetic measurements parallel and perpendicular to the c axis of a single crystal reveal dominantly antiferromagnetic interactions, with a small degree of magnetic anisotropy. A weighted average of the directional data suggests an antiferromagnetic Curie Weiss temperature of approximately -30 K. Below 10 K the temperature dependences of the inverse susceptibilities in the in-plane and perpendicular-to planemore » directions are parallel, indicative of an isotropic magnetic moment at low temperatures. In conclusion, no sign of magnetic ordering is observed above 1.8 K, suggesting that ErMgGaO 4 is a geometrically frustrated magnet.« less
Improved synthesis and crystal structure of the flexible pillared layer porous coordination polymer: Ni(1,2-bis(4-pyridyl)ethylene)[Ni(CN) 4

DOE PAGES

Wong-Ng, W.; Culp, J. T.; Chen, Y. S.; ...

2013-01-01

This paper reports our synthesis of flexible coordination polymer, Ni(L)[Ni(CN) 4], (L = 1,2-bis(4-pyridyl)ethylene (nicknamed bpene)), and its structural characterization using synchrotron single crystal X-ray diffraction. The structure of the purplish crystals has been determined to be monoclinic, space group P2 1/m, a = 13.5941(12) Å, b = 14.3621(12) Å, c = 14.2561(12) Å, β = 96.141(2)°, V = 2767.4(4) Å 3, Z = 4, D c = 1.46 g cm -1. Ni(bpene)[Ni(CN) 4] assumes a pillared layer structure with layers defined by Ni[Ni(CN) 4] n nets and bpene ligands acting as pillars. With the present crystallization technique which involvesmore » the use of concentrated ammonium hydroxide solution and dimethyl sulfoxide (DMSO), disordered free bpene ligands and solvents of crystallization (DMSO and water molecules) occupy the pores, resulting in a formula of Ni(bpene)[Ni(CN) 4](1/2)bpene∙DMSO 2H 2O, or Ni 2N 7C 24H 25SO 3. Without the inclusion of free bpene ligands and solvent molecules, the free volume is approximately 61% of the total volume; this free volume fraction is reduced to 50% with the free ligands present. Pores without the free ligands were found to have a local diameter of 5.7 Å and a main aperture of 3.5 Å. Based on the successful crystal synthesis, we also devised a new bulk synthetic technique which yielded a polycrystalline material with a significantly improved CO 2 uptake as compared to the originally reported powder material. The improved synthetic technique yielded a polycrystalline material with 40% higher CO 2 uptake compared to the previously reported powder material. An estimated 14.4 molecules of CO 2 per unit cell was obtained.« less
Internally Consistent Single-Crystal Elasticity of (Mg0.89Fe0.11)2SiO4 Wadsleyite at High Pressures and High Temperatures

NASA Astrophysics Data System (ADS)

Buchen, J.; Marquardt, H.; Kurnosov, A.; Boffa Ballaran, T.; Speziale, S.; Kawazoe, T.

2016-12-01

The transition zone in Earth's upper mantle attains a pivotal role in deep Earth dynamics. Various scenarios for the fate of subducted lithospheric slabs have been identified from seismic tomographic images while petrological observations point to potential reservoirs of volatile elements in the transition zone. Among the mineral phases expected to assemble a mantle rock at depths between 410 km and 520 km, wadsleyite stands out with a remarkable hydrogen storage capacity of several weight percent H2O, a volume fraction of about 60 % for a pyrolitic mantle composition, and the potential to cause seismic anisotropy. Interpretations of seismological observations in terms of the thermal and mineralogical state of the upper transition zone rely on the elastic properties of wadsleyite at the prevailing conditions of pressure and temperature including its elastic anisotropy. We have determined internally consistent single-crystal elastic constants for wadsleyite with a relevant composition ((Mg0.89Fe0.11)1.98H0.04SiO4, 0.25(3) wt-% H2O) up to a pressure of 16 GPa at room temperature and conducted first measurements at combined high pressures and high temperatures. Single-crystal segments were cut from oriented thin sections with a focused ion beam and complementary orientations loaded together into the same pressure chamber of resistively heated diamond anvil cells. Using this two-sample approach and a combination of Brillouin spectroscopy and single-crystal X-ray diffraction, all nine independent elastic constants can be obtained under consistent conditions of pressure and temperature. Comparison of our room temperature results with those reported for wadsleyites with different iron contents suggests a very small effect of Fe-Mg substitution on the bulk modulus while the shear modulus decreases with increasing iron content. This differential effect of iron on the elastic moduli bears the potential to be seismically distinguishable from the signatures of temperature or
Synthesis, crystal structure, and vibrational study of K2Cu(HPO4)2·6H2O: A new metal hydrogenphosphate compound

NASA Astrophysics Data System (ADS)

Ettoumi, Houda; Bulou, Alain; Suñol, Joan Josep; Mhiri, Tahar

2015-11-01

The study reports on the synthesis, single-crystal X-ray structure, and infrared and polarized Raman spectra of a new metal phosphate. The chemical formula of the compound K2Cu(HPO4)2·6H2O resembled that of Tutton salts. The compound crystallized in the monoclinic system, space group P21/c, with a = 6.166(9), b = 12.118(19), c = 9.077(14) Å, β = 104.33(2), and Z = 2. The compound consisted of transition metal cations octahedrally coordinated by six water molecules, [Cu(H2O)6]2+, HPO4 pseudo-tetrahedra, and KO8 polyhedra. The KO8 polyhedra shared two edges with two HPO4 groups, two corners with the two other HPO4 groups, and two corners with Cu(H2O)6. The connection between [Cu(H2O)6]2+ octahedral and (HPO4)2- pseudo-tetrahedra was reinforced by hydrogen bonds formed between the water molecules and other oxygen atoms linked to the P atom. These structural results were corroborated by infrared and polarized Raman spectroscopy.
Crystal structures of three co-crystals of 1,2-bis-(pyridin-4-yl)ethane with 4-alk-oxy-benzoic acids: 4-eth-oxy-benzoic acid-1,2-bis-(pyridin-4-yl)ethane (2/1), 4-n-propoxybenzoic acid-1,2-bis(pyridin-4-yl)ethane (2/1) and 4-n-but-oxy-benzoic acid-1,2-bis-(pyridin-4-yl)ethane (2/1).

PubMed

Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki

2015-11-01

The crystal structures of three hydrogen-bonded co-crystals of 4-alk-oxy-benzoic acid-1,2-bis-(pyridin-4-yl)ethane (2/1), namely, 2C9H10O3·C12H12N2, (I), 2C10H12O3·C12H12N2, (II), and 2C11H14O3·C12H12N2, (III), have been determined at 93, 290 and 93 K, respectively. In (I), the asymmetric unit consists of one 4-eth-oxy-benzoic acid mol-ecule and one half-mol-ecule of 1,2-bis-(pyridin-4-yl)ethane, which lies on an inversion centre. In (II) and (III), the asymmetric units each comprise two crystallographically independent 4-alk-oxy-benzoic acid mol-ecules and one 1,2-bis-(pyridin-4-yl)ethane mol-ecule. In each crystal, the two components are linked by O-H⋯N hydrogen bonds, forming a linear hydrogen-bonded 2:1unit of the acid and the base. Similar to the structure of 2:1 unit of (I), the units of (II) and (III) adopt nearly pseudo-inversion symmetry. The 2:1 units of (I), (II) and (III) are linked via C-H⋯O hydrogen bonds, forming tape structures.
Structure of α, ω-bis-(pentane-2,4-dione-3-ylmethylsulfanyl)alkanes and even/odd crystallization effects

NASA Astrophysics Data System (ADS)

Khalilov, Leonard M.; Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Akhmadiev, Nail S.; Timirov, Yulai I.; Skaldin, Oleg A.; Akhmetova, Vnira R.

2015-09-01

The relationships between structural features and crystallization of the С1-С6 α,ω-bis-(pentane-2,4-dione-3-ylmethylsulfanyl)alkanes are considered. It was shown that the conjugated enol bis-pentadiones which form pseudo six-membered rings and stabilized by intramolecular hydrogen bonds favor the crystallization. Using a polarized optical technique, it has been found that crystallization rate of the melts of crystalline compounds decreases with elongation of the aliphatic chain between sulfur atoms. It is assumed that one of the main factors that contributes to probability to form single crystals is a small twist angle between two pseudo six-membered rings.
Positron annihilation on the surfaces of SiO 2 films thermally grown on single crystal of Cz-Si

NASA Astrophysics Data System (ADS)

Deng, Wen; Yue, Li; Zhang, Wei; Cheng, Xu-xin; Zhu, Yan-yan; Huang, Yu-yang

2009-09-01

Two-detector coincidence system and mono-energetic slow positron beam has been applied to measure the Doppler broadening spectra for single crystals of SiO2, SiO2 films with different thickness thermally grown on single crystal of Cz-Si, and single crystal of Si without oxide film. Oxygen is recognized as a peak at about 11.85 × 10-3m0c on the ratio curves. The S parameters decrease with the increase of positron implantation energy for the single crystal of SiO2 and Si without oxide film. However, for the thermally grown SiO2-Si sample, the S parameters in near surface of the sample increase with positron implantation energy. It is due to the formation of silicon oxide at the surface, which lead to lower S value. S and W parameters vary with positron implantation depth indicate that the SiO2-Si system consist of a surface layer, a SiO2 layer, a SiO2-Si interface layer and a semi-infinite Si substrate.
Upper critical fields in Ba2Ti2Fe2As4O single crystals: Evidence for dominant Pauli paramagnetic effect

NASA Astrophysics Data System (ADS)

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

2018-03-01

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

NASA Astrophysics Data System (ADS)

Sahul, Raffi

Single crystals based on relaxor-lead titanate (relaxor-PT) solid solutions have advanced the world of piezoelectric materials for the past two decades with their giant piezoelectric properties achieved by domain engineered configurations. When single crystals of lead magnesium niobate-lead titanate (PMN-PT) solid solution in the rhombohedral phase were poled along [001]c direction with "4R" domain configuration, they exhibited high piezoelectric charge coefficient (d33 >2000 pC/N) and high electromechanical coupling (k33 >0.9) which led to their widespread use in advanced medical imaging systems and underwater acoustic devices. However, PMN-PT crystals suffer from low phase transition temperature (Trt ˜85-95 °C) and lower coercive field (depolarizing electric field, Ec ˜2-3 kV/cm). Lead indium niobate - lead magnesium niobate - lead titanate (PIN-PMN-PT) ternary single crystals formed by adding indium as another constituent exhibit higher coercive field (E c ˜5kV/cm) and higher Curie temperature (Tc >210 °C) than the binary PMN-PT crystals (Ec ˜2.5 kV/cm and Tc <140 °C). When these ternary PIN-PMN-PT crystals are doped with manganese (Mn:PIN-PMN-PT), they behave like hard piezoelectric materials demonstrating an internal bias field (Ei ˜0.8-1.6 kV/cm), leading to low elastic losses and high mechanical Q-factor (Qm >600) compared to the undoped binary crystals (Qm of PMN-PT <150). Although the spontaneous polarization directions for these rhombohedral crystals are in the c directions, the giant piezoelectric effect (d33 >2000 pC/N for PMN-PT) occurs in the [001]c poled crystals, which is attributed to the polarization rotation mechanisms. Hence, domain engineering configurations induced by poling these crystals in orientations other than their polarization axis are critical for achieving large piezoelectric effects. Based on the phase diagram of these solid solutions, with the increase in PT content beyond the rhombohedral phase region, orthorhombic
Development of single crystal membranes

NASA Technical Reports Server (NTRS)

Stormont, R. W.; Cocks, F. H.

1972-01-01

The design and construction of a high pressure crystal growth chamber was accomplished which would allow the growth of crystals under inert gas pressures of 2 MN/sq m (300 psi). A novel crystal growth technique called EFG was used to grow tubes and rods of the hollandite compounds, BaMgTi7O16, K2MgTi7O16, and tubes of sodium beta-alumina, sodium magnesium-alumina, and potassium beta-alumina. Rods and tubes grown are characterized using metallographic and X-ray diffraction techniques. The hollandite compounds are found to be two or three-phase, composed of coarse grained orientated crystallites. Single crystal c-axis tubes of sodium beta-alumina were grown from melts containing excess sodium oxide. Additional experiments demonstrated that crystals of magnesia doped beta-alumina and potassium beta-alumina also can be achieved by this EFG technique.
Direct observation of bulk Fermi surface at higher Brillouin zones in a heavily hole-doped cuprate

NASA Astrophysics Data System (ADS)

Al-Sawai, W.; Sakurai, Y.; Itou, M.; Barbiellini, B.; Mijnarends, P. E.; Markiewicz, R. S.; Kaprzyk, S.; Gillet, J.-M.; Wakimoto, S.; Fujita, M.; Basak, S.; Lin, H.; Bansil, A.; Yamada, K.

2010-03-01

We have observed the bulk Fermi surface (FS) in an overdoped (x=0.3) single crystal of La2-xSrxCuO4 by using Compton scattering. A 2-D momentum density reconstruction [1] from measured Compton profiles, yields a clear FS signature in a higher Brillouin zone centered at p=(1.5,1.5) a.u. The quantitative agreement with density functional theory (DFT) calculations [2] and momentum density experiment suggests that Fermi-liquid physics is restored in the overdoped regime. We have also measured the 2-D angular correlation of positron annihilation radiation (2D-ACAR) [3] and noticed a similar quantitative agreement with the DFT simulations. However, 2D-ACAR does not give a clear signature of the FS in the extended momentum space in both theory and experiment. Work supported in part by the US DOE.[1] Y. Tanaka et al., Phys. Rev. B 63, 045120 (2001).[2] S. Sahrakorpi et al., Phys. Rev. Lett. 95, 157601 (2005).[3] L. C. Smedskjaer et al., J. Phys. Chem. Solids 52, 1541 (1991).
Sponge-like nanoporous single crystals of gold

PubMed Central

Khristosov, Maria Koifman; Bloch, Leonid; Burghammer, Manfred; Kauffmann, Yaron; Katsman, Alex; Pokroy, Boaz

2015-01-01

Single crystals in nature often demonstrate fascinating intricate porous morphologies rather than classical faceted surfaces. We attempt to grow such crystals, drawing inspiration from biogenic porous single crystals. Here we show that nanoporous single crystals of gold can be grown with no need for any elaborate fabrication steps. These crystals are found to grow following solidification of a eutectic composition melt that forms as a result of the dewetting of nanometric thin films. We also present a kinetic model that shows how this nano-porous single-crystalline structure can be obtained, and which allows the potential size of the porous single crystal to be predicted. Retaining their single-crystalline nature is due to the fact that the full crystallization process is faster than the average period between two subsequent nucleation events. Our findings clearly demonstrate that it is possible to form single-crystalline nano porous metal crystals in a controlled manner. PMID:26554856
Growth and characterization of a third order nonlinear optical single crystal: Ethylenediamine-4-nitrophenolate monohydrate

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

Dhanalakshmi, B.; Ponnusamy, S., E-mail: suruponnus@gmail.com; Muthamizhchelvan, C.

2015-10-15

Highlights: • EDA4NPH crystal possesses negative nonlinear refractive index. • The crystal exhibits high third-order NLO susceptibility. • Wide transparency of the crystal makes it suitable for NLO applications. • Dielectric studies substantiate the suitability for electro-optic applications. • The crystal possesses suitable mechanical strength for device fabrication. - Abstract: Bulk crystals of the charge-transfer complex, ethylenediamine-4-nitrophenolate monohydrate, were grown by slow solvent evaporation method from aqueous solution at room temperature. The X-ray diffraction measurements showed that the crystal belongs to centrosymmetric space group C2/c of monoclinic system. The functional groups in the complex were identified using FTIR, FTRaman andmore » FTNMR analyses. The Z-scan measurements revealed the negative nonlinear refractive index of the crystal. The nonlinear absorption coefficient and third order nonlinear optical susceptibility calculated from the measurements were −3.5823 × 10{sup −3} cm/W and 2.3762 × 10{sup −6} esu respectively. The crystal was shown to be highly transparent above 366 nm by UV–vis spectroscopy and a yellow fluorescence was observed from PL spectrum. The TG–DTA and DSC analyses showed that the crystal is thermally stable up to 117.4 °C. The crystals were characterized by dielectric, etching and microhardness studies.« less
Modified Bridgman-Stockbarger growth and characterization of LiInSe{sub 2} single crystal

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

Vijayakumar, P., E-mail: ramasamyp@ssn.edu.in; Magesh, M., E-mail: ramasamyp@ssn.edu.in; Arunkumar, A., E-mail: ramasamyp@ssn.edu.in

2014-04-24

The LiInSe{sub 2} polycrystalline materials were successfully synthesized from melt and temperature oscillation method. 8 mm diameter and 32 mm length single crystal was grown from Bridgman-Stockbarger method with steady ampoule rotation. Crystalline phase was confirmed by powder XRD pattern. Thermo gravimetric and differential thermal analysis confirms that the melting point of the grown crystal is 897°C. Rutherford backscattering analysis (RBS) gives the crystal composition as Li{sub 0.8}In{sub 1.16}Se{sub 2.04}. The crystalline perfection of the grown crystal was analyzed by High resolution X-ray diffraction measurements (HRXRD). The electrical properties of the grown crystal were analyzed by Hall effect measurements andmore » it confirms the n-type semiconducting nature.« less
Temperature and field induced strain measurements in single crystal Gd 5Si 2Ge 2

DOE PAGES

McCall, S. K.; Nersessian, N.; Carman, G. P.; ...

2016-03-29

The first-order magneto-structural transformation that occurs in Gd 5Si 2Ge 2 near room temperature makes it a strong candidate for many energy harvesting applications. Understanding the single crystal properties is crucial for allowing simulations of device performance. In this study, magnetically and thermally induced transformation strains were measured in a single crystal of Gd 5Si 2.05Ge 1.95 as it transforms from a high-temperature monoclinic paramagnet to a lower-temperature orthorhombic ferromagnet. Thermally induced transformation strains of –8500 ppm, +960 ppm and +1800 ppm, and magnetically induced transformation strains of –8500 ppm, +900 ppm and +2300 ppm were measured along the a,more » b and c axes, respectively. Furthermore, using experimental data coupled with general thermodynamic considerations, a universal phase diagram was constructed showing the transition from the monoclinic to the orthorhombic phase as a function of temperature and magnetic field.« less
Tuning the ground state of the Kondo lattice in UT Bi2 (T = Ag, Au) single crystals

NASA Astrophysics Data System (ADS)

Rosa, Priscila; Luo, Yongkang; Pagliuso, Pascoal; Bauer, Eric; Thompson, Joe; Fisk, Zachary

2015-03-01

Motivated by the interesting magnetic anisotropy found in the Ce-based heavy fermion family Ce TX2 (T = transition metal, X = pnictogen), here we study the novel U-based parent compounds U TBi2 (T = Ag, Au) by combining magnetization, electrical resistivity, and heat-capacity measurements. The single crystals, synthesized by the self-flux method, also crystallize in the tetragonal HfCuSi2-type structure (space group P4/nmm). Interestingly, although UAgBi2 is a low- γ antiferromagnet below TN = 181 K, UAuBi2 is a moderately heavy uniaxial ferromagnet below Tc = 22 K. Nevertheless, both compounds display the easy-magnetization direction along the c-axis and a large magnetocrystalline anisotropy. Our results point out to an incoherent Kondo behaviour in the paramagnetic state and an intricate competition between crystal field effects and two anisotropic exchange interactions, which lead to the remarkable difference in the observed ground states.

Anisotropic constitutive modeling for nickel base single crystal superalloys using a crystallographic approach

NASA Technical Reports Server (NTRS)

Stouffer, D. C.; Sheh, M. Y.

1988-01-01

A micromechanical model based on crystallographic slip theory was formulated for nickel-base single crystal superalloys. The current equations include both drag stress and back stress state variables to model the local inelastic flow. Specially designed experiments have been conducted to evaluate the effect of back stress in single crystals. The results showed that (1) the back stress is orientation dependent; and (2) the back stress state variable in the inelastic flow equation is necessary for predicting anelastic behavior of the material. The model also demonstrated improved fatigue predictive capability. Model predictions and experimental data are presented for single crystal superalloy Rene N4 at 982 C.
Hydrolytic weakening in olivine single crystals

NASA Astrophysics Data System (ADS)

Tielke, Jacob A.; Zimmerman, Mark E.; Kohlstedt, David L.

2017-05-01

Deformation experiments on single crystals of San Carlos olivine under hydrous conditions were performed to investigate the microphysical processes responsible for hydrolytic weakening during dislocation creep. Hydrogen was supplied to the crystals using either talc or brucite sealed in nickel capsules with the crystal. Deformation experiments were carried out using a gas medium apparatus at temperatures of 1050° to 1250°C, a confining pressure of 300 MPa, differential stresses of 45 to 294 MPa, and resultant strain rates of 1.5 × 10-6 to 4.4 × 10-4 s-1. For talc-buffered (i.e., water and orthopyroxene-buffered) samples at high temperatures, the dependence of strain rate on stress follows a power law relationship with a stress exponent (n) of ˜2.5 and an activation energy of ˜490 kJ/mol. Brucite-buffered samples deformed faster than talc-buffered samples but contained similar hydrogen concentrations, demonstrating that strain rate is influenced by orthopyroxene activity under hydrous conditions. The values of n and dependence of strain rate on orthopyroxene activity are consistent with hydrolytic weakening occurring in the climb-controlled dislocation creep regime that is associated with deformation controlled by lattice diffusion under hydrous conditions and by pipe diffusion under anhydrous conditions. Analyses of postdeformation electron-backscatter diffraction data demonstrate that dislocations with [100] Burgers vectors are dominant in the climb-controlled regime and dislocations with [001] are dominant in the glide-controlled regime. Comparison of the experimentally determined constitutive equations demonstrates that under hydrous conditions crystals deform 1 to 2 orders of magnitude faster than under anhydrous conditions.
Surface termination dependence of the reactivity of single crystal hematite with CCl 4

NASA Astrophysics Data System (ADS)

Camillone, Nicholas, III; Adib, Kaveh; Fitts, Jeffrey P.; Rim, Kwang T.; Flynn, George W.; Joyce, S. A.; Osgood, Richard M.

2002-06-01

We describe ultrahigh vacuum Auger electron spectrometric measurements of the uptake of chlorine following the room temperature exposure of single crystal hematite, α-Fe2O3, to CCl4. We compare the surface chemistry of two specific surface phases formed on the basal plane of α-Fe2O3: the Fe3O4(1 1 1)-(2×2) ;selvedge; and the α-Fe2O3/Fe1-xO ;biphase.; For Fe3O4(1 1 1)-(2×2) an estimated saturation level of Cl of ∼75% of a monolayer is readily attained. Carbon uptake is well below that expected for simple stoichiometric dissociative chemisorption, consistent with desorption of organic products during the surface reaction. Low energy electron diffraction measurements suggest that, dependent upon preparation procedures, at least two types of α-Fe2O3/Fe1-xO biphase structures can be formed. Surprisingly, upon exposure to CCl4, Cl uptake does not occur on either of these biphase surfaces, despite the fact that these surfaces are thought to have the same surface concentrations of iron and oxygen as Fe3O4(1 1 1). The dramatic difference between the reactivity of the Fe3O4 and biphase surfaces suggests that the active site for the dissociative adsorption of CCl4 on Fe3O4(1 1 1)-(2×2) comprises both an iron cation and an oxygen anion with a surface-normal-oriented dangling bond that is uncapped by iron cations. Electron stimulated and thermal desorption of Cl from the saturated Fe3O4(1 1 1)-(2×2) selvedge is also reported.
Amino acid based MOFs: synthesis, structure, single crystal to single crystal transformation, magnetic and related studies in a family of cobalt and nickel aminoisophthales.

PubMed

Sarma, Debajit; Ramanujachary, K V; Lofland, S E; Magdaleno, Travis; Natarajan, Srinivasan

2009-12-21

Four new 5-aminoisophthalates of cobalt and nickel have been prepared employing hydro/solvothermal methods: [Co(2)(C(8)H(5)NO(4))(2)(C(4)H(4)N(2))(H(2)O)(2)].3H(2)O (I), [Ni(2)(C(8)H(5)NO(4))(2)(C(4)H(4)N(2))(H(2)O)(2)].3H(2)O (II), [Co(2)(H(2)O)(mu(3)-OH)(2)(C(8)H(5)NO(4))] (III), and [Ni(2)(H(2)O)(mu(3)-OH)(2)(C(8)H(5)NO(4))] (IV). Compounds I and II are isostructural, having anion-deficient CdCl(2) related layers bridged by a pyrazine ligand, giving rise to a bilayer arrangement. Compounds III and IV have one-dimensional M-O(H)-M chains connected by the 5-aminoisophthalate units forming a three-dimensional structure. The coordinated as well as the lattice water molecules of I and II could be removed and inserted by simple heating-cooling cycles under the atmospheric conditions. The removal of the coordinated water molecule is accompanied by changes in the coordination environment around the M(2+) (M = Co, Ni) and color of the samples (purple to blue, Co; green to dark yellow, Ni). This change has been examined by a variety of techniques that include in situ single crystal to single crystal transformation studies and in situ IR and UV-vis spectroscopic studies. Magnetic studies indicate antiferromagnetic behavior in I and II, a field-induced magnetism in III, and a canted antiferromagnetic behavior in IV.
Type-I superconductivity in YbSb2 single crystals

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

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

2012-06-25

We present evidence of type-I superconductivity in YbSb2 single crystals from dc and ac magnetization, heat capacity, and resistivity measurements. The critical temperature and critical field are determined to be Tc≈ 1.3 K and Hc≈ 55 Oe. A small Ginzburg-Landau parameter κ= 0.05, together with typical magnetization isotherms of type-I superconductors, small critical field values, a strong differential paramagnetic effect signal, and a field-induced change from second- to first-order phase transition, confirms the type-I nature of the superconductivity in YbSb2. A possible second superconducting state is observed in the radio-frequency susceptibility measurements, with Tc(2)≈ 0.41 K and Hc(2)≈ 430 Oe.
Growth and structural characterization of large superconducting crystals of La 2 - x Ca 1 + x Cu 2 O 6

DOE PAGES

Schneeloch, J. A.; Guguchia, Z.; Stone, M. B.; ...

2017-12-01

Lmore » arge crystals of a 2 - x Ca 1 + x Cu 2 O 6 (a-Ca-2126) with x = 0:10 and 0.15 have been grown and converted to bulk superconductors by high-pressure oxygen annealing. The superconducting transition temperature, T c, is as high as 55 K; this can be raised to 60 K by post-annealing in air. Here we present structural and magnetic characterizations of these crystals using neutron scattering and muon spin rotation techniques. While the as-grown, non-superconducting crystals are single phase, we nd that the superconducting crystals contain 3 phases forming coherent domains stacked along the c axis: the dominant a-Ca-2126 phase, very thin (1.5 unit-cell) intergrowths of a 2CuO 4, and an antiferromagnetic a 8Cu 8O 20 phase. We propose that the formation and segregation of the latter phases increases the Ca concentration of the a-Ca-2126, thus providing the hole-doping that supports superconductivity.« less
Growth and structural characterization of large superconducting crystals of La 2 - x Ca 1 + x Cu 2 O 6

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

Schneeloch, J. A.; Guguchia, Z.; Stone, M. B.

Lmore » arge crystals of a 2 - x Ca 1 + x Cu 2 O 6 (a-Ca-2126) with x = 0:10 and 0.15 have been grown and converted to bulk superconductors by high-pressure oxygen annealing. The superconducting transition temperature, T c, is as high as 55 K; this can be raised to 60 K by post-annealing in air. Here we present structural and magnetic characterizations of these crystals using neutron scattering and muon spin rotation techniques. While the as-grown, non-superconducting crystals are single phase, we nd that the superconducting crystals contain 3 phases forming coherent domains stacked along the c axis: the dominant a-Ca-2126 phase, very thin (1.5 unit-cell) intergrowths of a 2CuO 4, and an antiferromagnetic a 8Cu 8O 20 phase. We propose that the formation and segregation of the latter phases increases the Ca concentration of the a-Ca-2126, thus providing the hole-doping that supports superconductivity.« less
High temperature hydrothermal synthesis of rare-earth titanates: synthesis and structure of RE5Ti4O15(OH) (RE = La, Er), Sm3TiO5(OH)3, RE5Ti2O11(OH) (RE = Tm-Lu) and Ce2Ti4O11.

PubMed

Fulle, Kyle; Sanjeewa, Liurukara D; McMillen, Colin D; Kolis, Joseph W

2018-05-15

Reactions of rare-earth oxides with TiO2 were performed in high temperature (650-700 °C) hydrothermal fluids. Two different mineralizer fluids were examined, 20 M KOH and 30 M CsF, and their respective products analyzed. When concentrated KOH fluids were used, single crystals of a variety of new OH- containing species were isolated and structurally characterized: RE5Ti4O15(OH) (RE = La, Er) I, Sm3TiO5(OH)3II and RE5Ti2O11(OH) (RE = Tm-Lu) III. La5Ti4O15(OH) I crystallizes in the orthorhombic space group Pnnm with unit cell dimensions of a = 30.5152(12) Å, b = 5.5832(2) Å, c = 7.7590(3) Å and V = 1321.92(9) Å3, Z = 4. Sm3TiO5(OH)3II crystallizes in the monoclinic space group P21/m with unit cell parameters of a = 5.6066(2) Å, b = 10.4622(4) Å, c = 6.1258(2) Å and β = 104.7390(10)°, V = 347.50(2) Å3, Z = 2. Lu5Ti2O11(OH) III crystallizes in the monoclinic space group C2/m with unit cell dimensions of a = 12.1252(9) Å, b = 5.8243(4) Å, c = 7.0407(5) Å, β = 106.939(3)° and V = 475.65(6) Å3, Z = 2. When concentrated fluoride solutions are used, mostly RE2Ti2O7 type compounds were isolated in either cubic or monoclinic phases. In the case of cerium, Ce2Ti4O11IV was isolated that crystallizes in the monoclinic space group C2/c with unit cell parameters of a = 13.6875(7) Å, b = 5.0955(3) Å, c = 12.8592(7) Å, β = 108.964(2)° and V = 848.18(8) Å3, Z = 4. The synthesis, structural characterization, and supporting characterization are reported for all compounds. The work highlights the complementary nature of hydroxide and fluoride fluids in studying the reactivity of refractory oxides.
Crystallization of lysozyme with ( R)-, ( S)- and ( RS)-2-methyl-2,4-pentanediol

DOE PAGES

Stauber, Mark; Jakoncic, Jean; Berger, Jacob; ...

2015-03-01

Chiral control of crystallization has ample precedent in the small-molecule world, but relatively little is known about the role of chirality in protein crystallization. In this study, lysozyme was crystallized in the presence of the chiral additive 2-methyl-2,4-pentanediol (MPD) separately using the R and S enantiomers as well as with a racemic RS mixture. Crystals grown with ( R)-MPD had the most order and produced the highest resolution protein structures. This result is consistent with the observation that in the crystals grown with ( R)-MPD and ( RS)-MPD the crystal contacts are made by ( R)-MPD, demonstrating that there ismore » preferential interaction between lysozyme and this enantiomer. These findings suggest that chiral interactions are important in protein crystallization.« less
Luminescence and light yield of (Gd2Y)(Ga3Al2)O12:Pr3+ single crystal scintillators

NASA Astrophysics Data System (ADS)

Lertloypanyachai, Prapon; Pathumrangsan, Nichakorn; Sreebunpeng, Krittiya; Pattanaboonmee, Nakarin; Chewpraditkul, Weerapong; Yoshikawa, Akira; Kamada, Kei; Nikl, Martin

2017-06-01

Praseodymium-doped (Gd2Y)(Ga3Al2)O12 (GYGAG: Pr) single crystals are grown by the micro-pulling down method with different Pr concentrations. The energy transfer process between Pr3+ and Gd3+ is investigated by photoluminescence excitation (PLE) and emission (PL) spectra measurements. Photoelectron yield measurements are carried out using photomultiplier. At 662 keV γ-rays, photoelectron yield of 2520 phe/MeV obtained for the GYGAG: Pr (0.01%) sample is larger than that of 1810 phe/MeV obtained for BGO crystal. Light yield degradation for the GYGAG: Pr scintillators is presumably due to the energy transfer from 5d state of Pr3+ to 4f state of Gd3+ together with the concentration quenching in the Gd3+-sublattice.
Synthesis, crystal structure, and ionic conductivity of a new layered metal phosphate, Li{sub 2}Sr{sub 2}Al(PO{sub 4}){sub 3}

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

Kim, Sung-Chul; Kwak, Hyun-Jung; Yoo, Chung-Yul

2016-11-15

A new layered metal phosphate, Li{sub 2}Sr{sub 2}Al(PO{sub 4}){sub 3}, was synthesized in the form of either a single-crystal or polycrystalline powder using the molten hydroxide flux method or a solid-state reaction, respectively. Li{sub 2}Sr{sub 2}Al(PO{sub 4}){sub 3} crystallizes to the P2{sub 1}/n (Z=4) monoclinic space group with lattice parameters a≈4.95 Å, b≈22.06 Å, c≈8.63 Å, and β≈91.5°. The structure is composed of stacked [LiSrAl(PO{sub 4}){sub 2}] layers alternating regularly with [LiSrPO{sub 4}] layers. In the [LiSrAl(PO{sub 4}){sub 2}] sublattice, the AlO{sub 6} octahedra and PO{sub 4} tetrahedra are tilted cooperatively to form an anionic, corrugated, two-dimensional [Al(PO{sub 4}){sub 2}]{supmore » 3−} framework that can be regarded as a “distorted-glaserite” structure. The [LiSrPO{sub 4}] sublattice is that of a layered block containing a six-membered ring formed from alternating linkages of LiO{sub 4} and PO{sub 4} tetrahedra. The six-membered rings show a boat-type arrangement with the up(U) or down(D) pointing sequence, UUDUUD. The interspace between the two sublattices generates a two-dimensional pathway for Li{sup +} ion conduction. The impedance measurement indicated that Li{sub 2}Sr{sub 2}Al(PO{sub 4}){sub 3} had a moderate ion conductivity (σ≈1.30×10{sup −4} S cm{sup −1} at 667 K), with an activation energy E{sub a}≈1.02 eV. - Graphical abstract: Polyhedral view of Li{sub 2}Sr{sub 2}Al(PO{sub 4}){sub 3}. Li{sup +} ions are represented by green spheres, Sr atoms by white spheres, AlO{sub 6} groups by octahedra, and PO{sub 4} groups by tetrahedra. - Highlights: • New compound Li{sub 2}Sr{sub 2}Al(PO{sub 4}){sub 3} is reported. • The crystal structure is investigated by single-crystal XRD analysis. • The structure is formed by the alternate stacking of two different sublattices. • Correlation between the crystal structure and ionic conductivity is discussed.« less
Effect of Crystal Orientation on Fatigue Failure of Single Crystal Nickel Base Turbine Blade Superalloys

NASA Technical Reports Server (NTRS)

Arakere, N. K.; Swanson, G.

2002-01-01

High cycle fatigue (HCF) induced failures in aircraft gas turbine and rocket engine turbopump blades is a pervasive problem. Single crystal nickel turbine blades are being utilized in rocket engine turbopumps and jet engines throughout industry because of their superior creep, stress rupture, melt resistance, and thermomechanical fatigue capabilities over polycrystalline alloys. Currently the most widely used single crystal turbine blade superalloys are PWA 1480/1493, PWA 1484, RENE' N-5 and CMSX-4. These alloys play an important role in commercial, military and space propulsion systems. Single crystal materials have highly orthotropic properties making the position of the crystal lattice relative to the part geometry a significant factor in the overall analysis. The failure modes of single crystal turbine blades are complicated to predict due to the material orthotropy and variations in crystal orientations. Fatigue life estimation of single crystal turbine blades represents an important aspect of durability assessment. It is therefore of practical interest to develop effective fatigue failure criteria for single crystal nickel alloys and to investigate the effects of variation of primary and secondary crystal orientation on fatigue life. A fatigue failure criterion based on the maximum shear stress amplitude /Delta(sub tau)(sub max))] on the 24 octahedral and 6 cube slip systems, is presented for single crystal nickel superalloys (FCC crystal). This criterion reduces the scatter in uniaxial LCF test data considerably for PWA 1493 at 1200 F in air. Additionally, single crystal turbine blades used in the alternate advanced high-pressure fuel turbopump (AHPFTP/AT) are modeled using a large-scale three-dimensional finite element model. This finite element model is capable of accounting for material orthotrophy and variation in primary and secondary crystal orientation. Effects of variation in crystal orientation on blade stress response are studied based on 297
Crystal Chemistry, Magnetic and Electrical Properties of La(2-X)BaXNiO4

DTIC Science & Technology

1989-02-01

alternating rock-salt, AO, and perovskite , ABe 3 , layers, with the separation between layers being almost twice the intraplanar distance between two B...t c 1.02, and it is most stable for t - 1.0. The 2 factor arises because the {110 planes of the perovskite layers are stacked alternately with the...a result of Ba 2 + substitution for La3 +.° This is easily understood with respect to the K2 NiF4 structure. The alternating perovskite and rock-salt
Temperature-dependent index of refraction of monoclinic Ga2O3 single crystal.

PubMed

Bhaumik, Indranil; Bhatt, R; Ganesamoorthy, S; Saxena, A; Karnal, A K; Gupta, P K; Sinha, A K; Deb, S K

2011-11-01

We present temperature-dependent refractive index along crystallographic b[010] and a direction perpendicular to (100)-plane for monoclinic phase (β) Ga(2)O(3) single crystal grown by the optical floating zone technique. The experimental results are consistent with the theoretical result of Litimein et al.1. Also, the Sellmeier equation for wavelengths in the range of 0.4-1.55 μm is formulated at different temperatures in the range of 30-175 °C. The thermal coefficient of refractive index in the above specified range is ~10(-5)/°C. © 2011 Optical Society of America
Ultra-fast scintillation properties of β-Ga2O3 single crystals grown by Floating Zone method

NASA Astrophysics Data System (ADS)

He, Nuotian; Tang, Huili; Liu, Bo; Zhu, Zhichao; Li, Qiu; Guo, Chao; Gu, Mu; Xu, Jun; Liu, Jinliang; Xu, Mengxuan; Chen, Liang; Ouyang, Xiaoping

2018-04-01

In this investigation, β-Ga2O3 single crystals were grown by the Floating Zone method. At room temperature, the X-ray excited emission spectrum includes ultraviolet and blue emission bands. The scintillation light output is comparable to the commercial BGO scintillator. The scintillation decay times are composed of the dominant ultra-fast component of 0.368 ns and a small amount of slightly slow components of 8.2 and 182 ns. Such fast component is superior to most commercial inorganic scintillators. In contrast to most semiconductor crystals prepared by solution method such as ZnO, β-Ga2O3 single crystals can be grown by traditional melt-growth method. Thus we can easily obtain large bulk crystals and mass production.
Single-crystal study of the charge density wave metal LuNiC2

NASA Astrophysics Data System (ADS)

Steiner, S.; Michor, H.; Sologub, O.; Hinterleitner, B.; Höfenstock, F.; Waas, M.; Bauer, E.; Stöger, B.; Babizhetskyy, V.; Levytskyy, V.; Kotur, B.

2018-05-01

We report on single-crystal growth, single-crystal x-ray diffraction, physical properties, and density functional theory (DFT) electronic structure as well as Fermi surface calculations for two ternary carbides, LuCoC2 and LuNiC2. Electrical resistivity measurements reveal for LuNiC2 a charge density wave (CDW) transition at TCDW≃450 K and, for T >TCDW , a significant anisotropy of the electrical resistivity, which is lowest along the orthorhombic a axis. The analysis of x-ray superstructure reflections suggest a commensurate CDW state with a Peierls-type distortion of the Ni atom periodicity along the orthorhombic a axis. DFT calculations based on the CDW modulated monoclinic structure model of LuNiC2 as compared to results of the orthorhombic parent type reveal the formation of a partial CDW gap at the Fermi level which reduces the electronic density of states from N (EF)=1.03 states/eV f.u. without CDW to N (EF)=0.46 states/eV f.u. in the CDW state. The corresponding bare DFT Sommerfeld value of the latter, γDFTCDW=0.90 mJ/mol K2, reaches reasonable agreement with the experimental value γ =0.83 (5 ) mJ/mol K2 of LuNiC2. LuCoC2 displays a simple metallic behavior with neither CDW ordering nor superconductivity above 0.4 K. Its experimental Sommerfeld coefficient, γ =5.9 (1) mJ/mol K2, is in realistic correspondence with the calculated, bare Sommerfeld coefficient, γDFT=3.82 mJ/mol K2, of orthorhombic LuCoC2.
Three's company: co-crystallization of a self-assembled S(4) metallacyclophane with two diastereomeric metallacycle intermediates.

PubMed

Lindquist, Nathan R; Carter, Timothy G; Cangelosi, Virginia M; Zakharov, Lev N; Johnson, Darren W

2010-05-28

Three discrete supramolecular self-assembled arsenic(iii) complexes including an unusual S(4)-symmetric tetranuclear [As(4)L(2)Cl(4)] metallacyclophane and two diastereomeric cis/trans-[As(2)LCl(2)] metallacycle intermediates co-crystallize within a single crystal lattice.
Crystal structure stability and electronic properties of the layered nickelate La4Ni3O10

NASA Astrophysics Data System (ADS)

Puggioni, Danilo; Rondinelli, James M.

2018-03-01

We investigate the crystal structure and the electronic properties of the trilayer nickelate La4Ni3O10 by means of quantum-mechanical calculations in the framework of the density-functional theory. We find that, at low temperature, La4Ni3O10 undergoes a hitherto unreported structural phase transition and transforms to a new monoclinic P 21/a phase. This phase exhibits electronic properties in agreement with recent angle-resolved photoemission spectroscopy data reported in H. Li et al., [Nat. Commun. 8, 704 (2017), 10.1038/s41467-017-00777-0] and should be considered in models focused on explaining the observed ˜140 K metal-to-metal phase transition.
Additive Manufacturing of Single-Crystal Superalloy CMSX-4 Through Scanning Laser Epitaxy: Computational Modeling, Experimental Process Development, and Process Parameter Optimization

NASA Astrophysics Data System (ADS)

Basak, Amrita; Acharya, Ranadip; Das, Suman

2016-08-01

This paper focuses on additive manufacturing (AM) of single-crystal (SX) nickel-based superalloy CMSX-4 through scanning laser epitaxy (SLE). SLE, a powder bed fusion-based AM process was explored for the purpose of producing crack-free, dense deposits of CMSX-4 on top of similar chemistry investment-cast substrates. Optical microscopy and scanning electron microscopy (SEM) investigations revealed the presence of dendritic microstructures that consisted of fine γ' precipitates within the γ matrix in the deposit region. Computational fluid dynamics (CFD)-based process modeling, statistical design of experiments (DoE), and microstructural characterization techniques were combined to produce metallurgically bonded single-crystal deposits of more than 500 μm height in a single pass along the entire length of the substrate. A customized quantitative metallography based image analysis technique was employed for automatic extraction of various deposit quality metrics from the digital cross-sectional micrographs. The processing parameters were varied, and optimal processing windows were identified to obtain good quality deposits. The results reported here represent one of the few successes obtained in producing single-crystal epitaxial deposits through a powder bed fusion-based metal AM process and thus demonstrate the potential of SLE to repair and manufacture single-crystal hot section components of gas turbine systems from nickel-based superalloy powders.
Raman scattering spectra of superconducting Bi2Sr2CaCu2O8 single crystals

NASA Astrophysics Data System (ADS)

Kirillov, D.; Bozovic, I.; Geballe, T. H.; Kapitulnik, A.; Mitzi, D. B.

1988-12-01

Raman spectra of Bi2Sr2CaCu2O8 single crystals with superconducting phase-transition temperature of 90 K have been studied. The spectra contained phonon lines and electronic continuum. Phonon energies and polarization selection rules were measured. A gap in the electronic continuum spectrum was observed in a superconducting state. Noticeable similarity between Raman spectra of Bi2Sr2CaCu2O8 and YBa2Cu3O7 was found.

The Crystal and Molecular Structure of Acetatochlorobis(4-methylpyridine)oxovanadium (IV)

NASA Technical Reports Server (NTRS)

Schupp, John D.; Hepp, Aloysius F.; Duraj, Stan A.; Richman, Robert M.; Fanwick, Phillip E.; Hakimzadeh, Roshanak (Technical Monitor)

2001-01-01

The crystal and molecular structure of the title compound, VOCl(O2CCH3)(4-CH3C5H4N)2, has been determined by single-crystal x-ray diffraction. The material crystallizes in the space group P 1(bar) (#2) with a = 7.822(2), b = 8.023(l), c = 14.841(2) Angstroms, alpha = 99.73(l), beta = 91.41(l), and gamma = 117.13(l). The coordination geometry around the vanadium is a highly distorted octahedron. The molecule is remarkable for being a monomeric oxovanadium (IV) carboxylate. A generalized synthetic strategy is proposed for the preparation of oxovanadium (IV) monomers.
Crystal-Physical Model of Ion Transport in Nonlinear Optical Crystals of KTiOPO4

NASA Astrophysics Data System (ADS)

Sorokin, N. I.; Shaldin, Yu. V.

2018-04-01

The ionic conductivity along the principal axes a, b, and c of the unit cell of the nonlinear-optical high-resistance KTiOPO4 single crystals (rhombic syngony, space group Pna21), which are as-grown and after thermal annealing in vacuum, has been investigated by the method of impedance spectroscopy. The crystals were grown from a solution-melt by the Czochralski method. The as-grown KTiOPO4 crystals possess a quasi-one-dimensional conductivity along the crystallographic c axis, which is caused by the migration of K+ cations: σ║ c = 1.0 × 10-5 S/cm at 573 K. Wherein the characteristics of the anisotropy of ionic conductivity of the crystals is equal to σ║ c /σ║ a = 3 and σ║ c /σ║ b = 24. The thermal annealing at 1000 K for 10 h in vacuum increases the magnitude of σ║ c of KTiOPO4 by a factor of 28 and leads to an increase in the ratio σ║ c /σ║ b = 2.1 × 103 at 573 K. A crystal-physical model of ionic transport in KTiOPO4 crystals has been proposed.
[H{sub 2}en]{sub 2}{l_brace}La{sub 2}M(SO{sub 4}){sub 6}(H{sub 2}O){sub 2}{r_brace} (M=Co, Ni): First organically templated 3d-4f mixed metal sulfates

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

Yuan Yanping; Wang Ruiyao; Kong Deyuan

2005-06-15

The first organically templated 3d-4f mixed metal sulfates, [H{sub 2}en]{sub 2}{l_brace}La{sub 2}M(SO{sub 4}){sub 6}(H{sub 2}O){sub 2}{r_brace} (M=Co 1, Ni 2) have been synthesized and structurally determined from non-merohedrally twinned crystals. The two compounds are isostructural and their structures feature a three-dimensional anionic network formed by the lanthanum(III) and nickel(II) ions bridged by sulfate anions. The La(III) ions in both compounds are 10-coordinated by four sulfate anions in bidentate chelating fashion, and two sulfate anions in a unidentate fashion. The transition metal(II) ion is octahedrally coordinated by six oxygens from four sulfate anions and two aqua ligands. The doubly protonated enthylenediaminemore » cations are located at the tunnels formed by 8-membered rings (four La and four sulfate anions)« less
Simplifying the growth of hybrid single-crystals by using nanoparticle precursors: the case of AgI

NASA Astrophysics Data System (ADS)

Xu, Biao; Wang, Ruji; Wang, Xun

2012-03-01

We report the synthesis of a series of AAgmIn single-crystals within 24 h, at room temperature, utilizing AgI nanoparticles (NPs) as the precursor. The AgI NPs impart high reactivity under mild conditions and favor the growth kinetics. 0D, 1D and 2D iodoargentate crystals can be obtained. This work represents the first application of NPs in the field of organo-metal-halide crystals and will inspire the design of other AMmXn crystals.We report the synthesis of a series of AAgmIn single-crystals within 24 h, at room temperature, utilizing AgI nanoparticles (NPs) as the precursor. The AgI NPs impart high reactivity under mild conditions and favor the growth kinetics. 0D, 1D and 2D iodoargentate crystals can be obtained. This work represents the first application of NPs in the field of organo-metal-halide crystals and will inspire the design of other AMmXn crystals. Electronic supplementary information (ESI) available: XPS spectra of AgI NPs, schematic representation of the formation process of [Ag4I8]4- in 2, UV-Vis spectra of the DTMA-Ag-I clusters, analysis of force balance of a crystal at the interface between H2O and CH2Cl2 and crystal structure depiction of 1-4. CIF files of 1-4 are also provided. CCDC reference numbers 863848, 863849, 863850 and 863851. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c2nr30139c
Crystal growth and optical characteristics of beryllium-free polyphosphate, KLa(PO3)4, a possible deep-ultraviolet nonlinear optical crystal

PubMed Central

Shan, Pai; Sun, Tongqing; Chen, Hong; Liu, Hongde; Chen, Shaolin; Liu, Xuanwen; Kong, Yongfa; Xu, Jingjun

2016-01-01

Deep-ultraviolet nonlinear optical crystals are of great importance as key materials in generating coherent light with wavelength below 200 nm through cascaded frequency conversion of solid-state lasers. However, the solely usable crystal in practice, KBe2BO3F2 (KBBF), is still commercially unavailable because of the high toxicity of beryllium-containing and the extreme difficulty of crystal growth. Here, we report the crystal growth and characteristics of an beryllium-free polyphosphate, KLa(PO3)4. Centimeter-sized single crystals have been easily obtained by the flux method and slow-cooling technique. The second-harmonic generation efficiency of KLa(PO3)4 powder is 0.7 times that of KH2PO4; moreover, the KLa(PO3)4 crystal is phase-matchable. Remarkably, the KLa(PO3)4 crystal exhibits an absorption edge of 162 nm, which is the shortest among phase-matchable phosphates so far. These attributes make KLa(PO3)4 a possible deep-ultraviolet nonlinear optical crystal. An analysis of the dipole moments of the polyhedra and theoretical calculations by density functional theory were made to elucidate the structure-properties relationships of KLa(PO3)4. PMID:27126353
Crystal growth and optical characteristics of beryllium-free polyphosphate, KLa(PO3)4, a possible deep-ultraviolet nonlinear optical crystal

NASA Astrophysics Data System (ADS)

Shan, Pai; Sun, Tongqing; Chen, Hong; Liu, Hongde; Chen, Shaolin; Liu, Xuanwen; Kong, Yongfa; Xu, Jingjun

2016-04-01

Deep-ultraviolet nonlinear optical crystals are of great importance as key materials in generating coherent light with wavelength below 200 nm through cascaded frequency conversion of solid-state lasers. However, the solely usable crystal in practice, KBe2BO3F2 (KBBF), is still commercially unavailable because of the high toxicity of beryllium-containing and the extreme difficulty of crystal growth. Here, we report the crystal growth and characteristics of an beryllium-free polyphosphate, KLa(PO3)4. Centimeter-sized single crystals have been easily obtained by the flux method and slow-cooling technique. The second-harmonic generation efficiency of KLa(PO3)4 powder is 0.7 times that of KH2PO4; moreover, the KLa(PO3)4 crystal is phase-matchable. Remarkably, the KLa(PO3)4 crystal exhibits an absorption edge of 162 nm, which is the shortest among phase-matchable phosphates so far. These attributes make KLa(PO3)4 a possible deep-ultraviolet nonlinear optical crystal. An analysis of the dipole moments of the polyhedra and theoretical calculations by density functional theory were made to elucidate the structure-properties relationships of KLa(PO3)4.
Single-crystal-to-single-crystal transformation and solvochromic luminescence of a dinuclear gold(I)-(aza-[18]crown-6)dithiocarbamate compound.

PubMed

Tzeng, Biing-Chiau; Chao, An

2015-01-26

The treatment of [AuCl(SMe2 )] with an equimolar amount of NaO5 NCS2 (O5 NCS2 =(aza-[18]crown-6)dithiocarbamate) in CH3 CN gave [Au2 (O5 NCS2 )2 ]⋅2 CH3 CN (2⋅2 CH3 CN), and its crystal structure displays a dinuclear gold(I)-azacrown ether ring and an intermolecular gold(I)⋅⋅⋅gold(I) contact of 2.8355(3) Å in crystal lattices. It is noted that two other single crystals of 2⋅tert-butylbenzene⋅H2 O and 2⋅0.5 m-xylene can be successfully obtained from a single-crystal-to-single-crystal (SCSC) transformation process by immersing single crystals of 2⋅2 CH3 CN in the respective solvents, and both also show intermolecular gold(I)⋅⋅⋅gold(I) contacts of 2.9420(5) and 2.890(2)-2.902(2) Å, respectively. Significantly, the emissions of all three 2⋅solvates are well correlated with their respective intermolecular gold(I)⋅⋅⋅gold(I) contacts, where such contacts increase with 2⋅2 CH3 CN (2.8355(3) Å)<2⋅0.5 m-xylene (2.890(2)-2.902(2) Å)<2⋅tert-butylbenzene⋅H2 O (2.9420(5) Å), and their emission energies increase with 2⋅2 CH3 CN (602 nm)<2⋅0.5 m-xylene (583 nm)<2⋅tert-butylbenzene⋅H2 O (546 nm) as well. In this regard, we further examine the solvochromic luminescence for some other aromatics, and finally their emissions are within 546-602 nm. Obviously, the above results are mostly ascribed to the occurrence of intermolecular gold(I)⋅⋅⋅gold(I) contacts in 2⋅solvates, which are induced by the presence of various solvates in the solid state, as a key role to be responsible for their solvochromic luminescence. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Single crystal growth of Ga3Ni2 by the Czochralski method

NASA Astrophysics Data System (ADS)

Wencka, Magdalena; Pillaca, Mirtha; Gille, Peter

2016-09-01

Intermetallic compounds have proved to be interesting alternatives to heterogeneous catalysts prepared from pure noble metals or their alloys. As to study their intrinsic properties, to determine the crystalline structures of specific surfaces and finally to understand elementary processes of heterogeneous catalysis, single crystals of these intermetallics are needed. Inspired by the recent discovery of Ga-Ni catalysts for carbon dioxide reduction to methanol, we have grown for the first time cm3-size single crystals of trigonal Ga3Ni2. We report in detail on the synthesis and Czochralski growth from high-temperature solution using Ga as native solvent. Inclusion formation of Ga-rich fluid proved to be the most severe problem that was minimized by using an extremely low pulling rate down to 25 μm/h.
Growth and characterization of divalent transition metal ions doped zinc hydrogen phosphate single crystals

NASA Astrophysics Data System (ADS)

D'Souza, Delma; Jagannatha, N.; Nagaraja, K. P.; Rohith, P. S.; Pradeepkumar, K. V.

2018-05-01

Zinc hydrogen phosphate (ZnHP) single crystal co-doped with divalent transition metal ions Cobalt (Co2+) and Cadmium (Cd2+) is grown by gel technique in silica hydro gel media. The presence of Co2+ and Cd2+ dopants in the ZnHP crystal was confirmed by Energy Dispersive X-ray Analysis (EDAX).FTIR spectra of the grown crystal depict the stretching and bending vibration of PO4 units, water of crystallization and metal-oxygen bonds. Powder XRD analysis reveals that the grown crystal belongs to monoclinic system with spacegroup P 21. The thermal stability of the grown crystal is rectified from TG-DSC studies.
Positron trapping at defects in copper oxide superconductors

NASA Astrophysics Data System (ADS)

McMullen, T.; Jena, P.; Khanna, S. N.; Li, Yi; Jensen, Kjeld O.

1991-05-01

Positron states and lifetimes at defects in the copper oxide superconductors La2-xSrxCuO4, YBa2Cu3O7-x, and Bi2Sr2CaCu2O8+x are calculated with use of the superposed-atom model. In the Bi2Sr2CaCu2O8+x compound, we find that the smaller metal-ion vacancies appear to only bind positrons weakly, while missing oxygens do not trap positrons. In contrast, metal-ion vacancies in La2-xSrxCuO4 and YBa2Cu3O7-x bind positrons by ~1 eV, and oxygen-related defects appear to be the weak-binding sites in these materials. The sites that bind positrons only weakly, by energies ~kBT, are of particular interest in view of the complex temperature dependences of the annihilation characteristics that are observed in these materials.
Singularity in the positive Hall coeffcient near pre-onset temperatures in high-Tc superconductors

NASA Astrophysics Data System (ADS)

Vezzoli, G. C.; Chen, M. F.; Craver, F.; Moon, B. M.; Safari, A.; Burke, T.; Stanley, W.

1990-10-01

Hall measurements using continuous extremely slow cooling and reheating rates as well as employing eqiulibrium point-by-point conventional techniques reveals a clear anomally in RH at pre-onset temperatures near Tc in polycrystalline samples Y1Ba2Cu3O7 and Bi2Sr2Ca2Cu3O10. The anomaly has the appearance of a singularity of Dirac-delta function which parallels earlier work on La1-xSrxCuO4. Recent single crystal work on the Bi-containing high-Tc superconductor is in accord with a clearcut anomaly. The singularity is tentatively interpreted to be associated (upon cooling) with initially the removal of positive holes from the hopping conduction system of the normal state such as from the increased concentration of bound virtual excitons due to increased exciton and hole lifetimes at low temperature. Subsequently the formation of Cooper pairs by mediation from these centers (bound-holes) and/or bound excitons) may cause an ionization of these bound virtual excitons thereby re-introducing holes and electrons into the conduction system at Tc.
Method of making single crystal fibers

NASA Technical Reports Server (NTRS)

Westfall, Leonard J. (Inventor)

1990-01-01

Single crystal fibers are made from miniature extruded ceramic feed rods. A decomposable binder is mixed with powders to inform a slurry which is extruded into a small rod which may be sintered, either in air or in vacuum, or it may be used in the extruded and dried condition. A pair of laser beams focuses onto the tip of the rod to melt it thereby forming a liquid portion. A single crystal seed fiber of the same material as the feed rod contacts this liquid portion to establish a zone of liquid material between the feed rod and the single crystal seed fiber. The feed rod and the single crystal feed fiber are moved at a predetermined speed to solidify the molten zone onto the seed fiber while simultaneously melting additional feed rod. In this manner a single crystal fiber is formed from the liquid portion.
Luminescence and scintillation characteristics of (GdxY3-x)Al2Ga3O12:Ce (x = 1,2,3) single crystals

NASA Astrophysics Data System (ADS)

Chewpraditkul, Warut; Pattanaboonmee, Nakarin; Sakthong, Ongsa; Chewpraditkul, Weerapong; Szczesniak, Tomasz; Moszynski, Marek; Kamada, Kei; Yoshikawa, Akira; Nikl, Martin

2018-02-01

The luminescence and scintillation characteristics of Czochralski-grown (GdxY3-x)Al2Ga3O12:Ce (x = 1,2,3) single crystals are presented. With increasing Gd content in this garnet host, the 5d2 absorption band was blue-shifted while the 5d1 absorption and 5d1 → 4f emission bands were red-shifted due to an increase in the crystal field splitting of the 5d levels. In addition, the luminescence quenching temperature of the Ce3+emission and activation energy for thermal quenching decreased with increasing Gd content. The Gd3+ → Ce3+ energy transfer was evidenced by photoluminescence excitation spectra of Ce3+ emission. At 662 keV γ - rays, the light yield (LY) of 48,600 ph/MeV and energy resolution of 6.5% was measured for a Gd3Al2Ga3O12:Ce crystal. Scintillation decay measurements were performed using the time-correlated single photon counting technique. Superior time resolution of Gd3Al2Ga3O12:Ce is due to its high LY and fast scintillation response. The total mass attenuation coefficients at 60 and 662 keV γ - rays were also determined.
Ternary aurides La4In3Au10 and Yb4In3Au10 and platinide U4In3Pt10 with ordered Zr7Ni10 type structure

NASA Astrophysics Data System (ADS)

Muts, Ihor; Kharkhalis, Anton; Hlukhyy, Viktor; Kaczorowski, Dariusz; Rodewald, Ute Ch.; Pöttgen, Rainer; Zaremba, Vasyl` I.

2017-09-01

The ternary aurides La4In3Au10 and Yb4In3Au10 and the platinide U4In3Pt10 with ordered Zr7Ni10 type structure were synthesized from the elements by induction-melting in sealed tantalum tubes or via arc-melting. The polycrystalline samples were characterized by powder X-ray diffraction and the structures were refined from single crystal X-ray diffractometer data: Cmce, a = 1426.7(3), b = 1020.3(2), c = 1025.2(2) pm, wR2 = 0.0441, 1510 F2 values, 46 variables for La4In3Au10, a = 1361.5(3), b = 998.3(2), c = 1007.8(2), wR2 = 0.0804, 1404 F2 values, 46 variables for Yb4In3Au10 and a = 1344.4(3), b = 973.9(2), c = 978.9(2), wR2 = 0.0922, 741 F2 values, 48 variables for U4.15In3.03Pt9.82 (with small degrees of In/U, respectively Pt/In mixing on Wyckoff sites 4a and 8 f). The La4In3Au10, Yb4In3Au10 and U4In3Pt10 structures contain pronounced two-dimensional gold, respectively platinum substructures which are filled and condensed by two crystallographically independent indium and rare earth atoms. The crystal chemical features clearly classify these intermetallics as aurides and platinides. The physical properties of U4In3Pt10 were characterized by means of magnetic and electrical transport measurements. The compound exhibits metallic conductivity and shows no magnetic ordering down to 1.72 K. Its magnetic behavior is governed by hybridization between 5f and ligand electrons that results in significant delocalization of the 5f states.
Monoclinic MB phase and phase instability in [110] field cooled Pb(Zn1/3Nb2/3)O3-4.5%PbTiO3 single crystals

NASA Astrophysics Data System (ADS)

Yao, Jianjun; Cao, Hu; Ge, Wenwei; Li, Jiefang; Viehland, D.

2009-08-01

We report the finding of a monoclinic MB phase in Pb(Zn1/3Nb2/3)O3-4.5%PbTiO3 single crystals. High precision x-ray diffraction investigations of [110] field cooled crystals have shown a transformation sequence of cubic(C)→tetragonal(T)→orthorhombic(O)→monoclinic(MB), which is different from that previously reported [A.-E. Renault et al., J. Appl. Phys. 97, 044105 (2005)]. Beginning in the zero-field-cooled condition at 383 K, a rhombohedral (R)→MB→O sequence was observed with increasing field. Coexisting MB and O phases were then found upon removal of field, which fully transformed to MB on cooling to room temperature.
Synthesis, crystal structure and high temperature phase transition in the new organic-inorganic hybrid [N(C4H9)4]3Zn2Cl7H2O crystals

NASA Astrophysics Data System (ADS)

Ben Gzaiel, Malika; Oueslati, Abderrazek; Lhoste, Jérôme; Gargouri, Mohamed; Bulou, Alain

2015-06-01

The present paper accounts for the synthesis, crystal structure, differential scanning calorimetry and vibrational spectroscopy of a new compound tri-tetrabutylammonium heptachloro-dizincate (I) grown at room temperature by slow evaporation of aqueous solution. From X-ray diffraction data collected at room temperature, it is concluded that it crystallizes in the monoclinic system (P21/n space group) containing ZnCl42- and ZnCl3H2O1- tetrahedra. The atomic arrangement can be described by an alternation of organic and organic-inorganic layers stacked along the c direction. Differential scanning calorimetry (DSC) in the range 250-450 K disclosed a reversible structural phase transition of order-disorder type at 358 K, prior to the melting at 395 K. The temperature dependence of the Raman spectra of [N(C4H9)4]3Zn2Cl7H2O single crystals was studied in the spectral range 100-3500 cm-1 and for temperatures between 300 and 386 K. The most important changes are observed for the line at 261 cm-1 issued from ν1(ZnCl4). The analysis of the wavenumber, intensity and the line width based on an order-disorder model allowed to obtain information relative to the activation energy and the correlation length. The decrease of the activation energy with increasing temperature has been interpreted in term of a change in the re-orientation motion of the anionic parts. The assumption of cluster fluctuations also allowed the critical exponents to be obtained for the transition δ = 0.011 and the correlation length ξ0 = 598 Å.
Organic field-effect transistors using single crystals.

PubMed

Hasegawa, Tatsuo; Takeya, Jun

2009-04-01

Organic field-effect transistors using small-molecule organic single crystals are developed to investigate fundamental aspects of organic thin-film transistors that have been widely studied for possible future markets for 'plastic electronics'. In reviewing the physics and chemistry of single-crystal organic field-effect transistors (SC-OFETs), the nature of intrinsic charge dynamics is elucidated for the carriers induced at the single crystal surfaces of molecular semiconductors. Materials for SC-OFETs are first reviewed with descriptions of the fabrication methods and the field-effect characteristics. In particular, a benchmark carrier mobility of 20-40 cm 2 Vs -1 , achieved with thin platelets of rubrene single crystals, demonstrates the significance of the SC-OFETs and clarifies material limitations for organic devices. In the latter part of this review, we discuss the physics of microscopic charge transport by using SC-OFETs at metal/semiconductor contacts and along semiconductor/insulator interfaces. Most importantly, Hall effect and electron spin resonance (ESR) measurements reveal that interface charge transport in molecular semiconductors is properly described in terms of band transport and localization by charge traps.
Point-contact Andreev reflection spectroscopy on Bi 2 Se 3 single crystals

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

Granstrom, C. R.; Fridman, I.; Lei, H. -C.

In order to study how Andreev reflection (AR) occurs between a superconductor and a three-dimensional topological insulator (TI), we use superconducting Nb tips to perform point-contact AR spectroscopy at 4.2 K on as-grown single crystals of Bi 2Se 3. Scanning tunneling spectroscopy and scanning tunneling microscopy are also used to characterize the superconducting tip and both the doping level and surface condition of the TI sample. Furthermore, the point-contact measurements show clear spectral signatures of AR, as well as a depression of zero-bias conductance with decreasing junction impedance. The latter observation can be attributed to interfacial Rashba spin-orbit coupling, andmore » the presence of bulk bands at the Fermi level in our samples suggests that bulk states of Bi2Se3 are involved in the observed AR.« less
Point-contact Andreev reflection spectroscopy on Bi 2 Se 3 single crystals

DOE PAGES

Granstrom, C. R.; Fridman, I.; Lei, H. -C.; ...

2016-04-27

In order to study how Andreev reflection (AR) occurs between a superconductor and a three-dimensional topological insulator (TI), we use superconducting Nb tips to perform point-contact AR spectroscopy at 4.2 K on as-grown single crystals of Bi 2Se 3. Scanning tunneling spectroscopy and scanning tunneling microscopy are also used to characterize the superconducting tip and both the doping level and surface condition of the TI sample. Furthermore, the point-contact measurements show clear spectral signatures of AR, as well as a depression of zero-bias conductance with decreasing junction impedance. The latter observation can be attributed to interfacial Rashba spin-orbit coupling, andmore » the presence of bulk bands at the Fermi level in our samples suggests that bulk states of Bi2Se3 are involved in the observed AR.« less
Growth and nonlinear optical characterization of organic single crystal films

NASA Astrophysics Data System (ADS)

Zhou, Ligui

1997-12-01

Organic single crystal films are important for various future applications in photonics and integrated optics. The conventional method for inorganic crystal growth is not suitable for organic materials, and the high temperature melting method is not good for most organic materials due to decomposition problems. We developed a new method-modified shear method-to grow large area organic single crystal thin films which have exceptional nonlinear optical properties and high quality surfaces. Several organic materials (NPP, PNP and DAST) were synthesized and purified before the thin film crystal growth. Organic single crystal thin films were grown from saturated organic solutions using modified shear method. The area of single crystal films were about 1.5 cm2 for PNP, 1 cm2 for NPP and 5 mm2 for DAST. The thickness of the thin films which could be controlled by the applied pressure ranged from 1μm to 10 μm. The single crystal thin films of organic materials were characterized by polarized microscopy, x-ray diffraction, polarized UV-Visible and polarized micro-FTIR spectroscopy. Polarized microscopy showed uniform birefringence and complete extinction with the rotation of the single crystal thin films under crossed- polarization, which indicated high quality single crystals with no scattering. The surface orientation of single crystal thin films was characterized by x-ray diffraction. The molecular orientation within the crystal was further studied by the polarized UV-Visible and Polarized micro-FTIR techniques combined with the x-ray and polarized microscopy results. A Nd:YAG laser with 35 picosecond pulses at 1064nm wavelength was employed to perform the nonlinear optical characterization of the organic single crystal thin films. Two measurement techniques were used to study the crystal films: second harmonic generation (SHG) and electro-optic (EO) effect. SHG results showed that the nonlinear optical coefficient of NPP was 18 times that of LiNbO3, a standard

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