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  • AIP Publishing  (97)
  • 1
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 155, No. 8 ( 2021-08-28)
    Abstract: This article summarizes technical advances contained in the fifth major release of the Q-Chem quantum chemistry program package, covering developments since 2015. A comprehensive library of exchange–correlation functionals, along with a suite of correlated many-body methods, continues to be a hallmark of the Q-Chem software. The many-body methods include novel variants of both coupled-cluster and configuration-interaction approaches along with methods based on the algebraic diagrammatic construction and variational reduced density-matrix methods. Methods highlighted in Q-Chem 5 include a suite of tools for modeling core-level spectroscopy, methods for describing metastable resonances, methods for computing vibronic spectra, the nuclear–electronic orbital method, and several different energy decomposition analysis techniques. High-performance capabilities including multithreaded parallelism and support for calculations on graphics processing units are described. Q-Chem boasts a community of well over 100 active academic developers, and the continuing evolution of the software is supported by an “open teamware” model and an increasingly modular design.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2021
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 2
    In: Applied Physics Letters, AIP Publishing, Vol. 105, No. 9 ( 2014-09-01)
    Abstract: We demonstrate the enhanced four-wave mixing of monolayer graphene on slow-light silicon photonic crystal waveguides. 200-μm interaction length, a four-wave mixing conversion efficiency of −23 dB is achieved in the graphene-silicon slow-light hybrid, with an enhanced 3-dB conversion bandwidth of about 17 nm. Our measurements match well with nonlinear coupled-mode theory simulations based on the measured waveguide dispersion, and provide an effective way for all-optical signal processing in chip-scale integrated optics.
    Type of Medium: Online Resource
    ISSN: 0003-6951 , 1077-3118
    RVK:
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2014
    detail.hit.zdb_id: 211245-0
    detail.hit.zdb_id: 1469436-0
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  • 3
    Online Resource
    Online Resource
    AIP Publishing ; 2014
    In:  Journal of Applied Physics Vol. 116, No. 13 ( 2014-10-07)
    In: Journal of Applied Physics, AIP Publishing, Vol. 116, No. 13 ( 2014-10-07)
    Abstract: Atom probe tomography was used to achieve three-dimensional characterization of in situ Al2O3/GaN structures grown by metal organic chemical vapor deposition (MOCVD). Al2O3 dielectrics grown at three different temperatures of 700, 900, and 1000 °C were analyzed and compared. A low temperature GaN cap layer grown atop Al2O3 enabled a high success rate in the atom probe experiments. The Al2O3/GaN interfaces were found to be intermixed with Ga, N, and O over the distance of a few nm. Impurity measurements data showed that the 1000 °C sample contains higher amounts of C (4 × 1019/cm3) and lower amounts of H (7 × 1019/cm3), whereas the 700 °C sample exhibits lower C impurities ( & lt;1017/cm3) and higher H incorporation (2.2 × 1020/cm3). On comparing with Al2O3 grown by atomic layer deposition (ALD), it was found that the MOCVD Al2O3/GaN interface is comparatively abrupt. Scanning transmission electron microscopy data showed that the 900 °C and 1000 °C MOCVD films exhibit polycrystalline nature, while the ALD films were found to be amorphous.
    Type of Medium: Online Resource
    ISSN: 0021-8979 , 1089-7550
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2014
    detail.hit.zdb_id: 220641-9
    detail.hit.zdb_id: 3112-4
    detail.hit.zdb_id: 1476463-5
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  • 4
    Online Resource
    Online Resource
    AIP Publishing ; 2010
    In:  Journal of Applied Physics Vol. 108, No. 12 ( 2010-12-15)
    In: Journal of Applied Physics, AIP Publishing, Vol. 108, No. 12 ( 2010-12-15)
    Abstract: The polarity of GaN grown by plasma-assisted molecular beam epitaxy was inverted from N-face to Ga-face by inserting a composite AlN/aluminum oxide (AlOx) interlayer structure at the inversion interface. The change in polarity was verified in situ by reflection high energy electron diffraction via intensity transients and postgrowth surface reconstructions, and ex situ by convergent beam electron diffraction and etch studies in an aqueous potassium hydroxide solution. The inverted materials showed smooth surfaces and good electrical properties. AlGaN/GaN high electron mobility transistors fabricated on the inverted epilayers showed good dc and high frequency performance. A current-gain cutoff frequency (fT) of 21 GHz and maximum oscillation frequency (fmax) of 61 GHz were measured in devices with a gate length of 0.7 μm. These data compare favorably to those of Ga-face AlGaN/GaN devices with a similar structure grown on Si-face SiC substrates.
    Type of Medium: Online Resource
    ISSN: 0021-8979 , 1089-7550
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2010
    detail.hit.zdb_id: 220641-9
    detail.hit.zdb_id: 3112-4
    detail.hit.zdb_id: 1476463-5
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  • 5
    Online Resource
    Online Resource
    AIP Publishing ; 2008
    In:  Journal of Applied Physics Vol. 104, No. 2 ( 2008-07-15)
    In: Journal of Applied Physics, AIP Publishing, Vol. 104, No. 2 ( 2008-07-15)
    Abstract: Smooth, high-quality N-polar GaN films were grown on C-face SiC substrates by metal organic chemical vapor deposition (MOCVD). Growth on substrates misoriented at 4° toward the m-plane suppressed the formation of hexagonal hillocks commonly observed for the growth of N-polar GaN by MOCVD. Aside from the misorientation, the growth temperature of the initial GaN was observed to have a strong impact on the structural and morphological properties of films grown on vicinal substrates as characterized by x-ray diffraction, atomic force microscopy, photoluminescence, and transmission electron microscopy. This strong temperature dependence was discovered to be a consequence of the island growth mode of the initial GaN. A two-step process was developed, which resulted in GaN films that exhibited XRD rocking curves with a full width at half maximum of 203 arc sec for a (0002¯) scan and 497 arc sec for a (202¯1¯) scan.
    Type of Medium: Online Resource
    ISSN: 0021-8979 , 1089-7550
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2008
    detail.hit.zdb_id: 220641-9
    detail.hit.zdb_id: 3112-4
    detail.hit.zdb_id: 1476463-5
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  • 6
    In: Journal of Applied Physics, AIP Publishing, Vol. 128, No. 22 ( 2020-12-14)
    Abstract: Time- and spectrally-resolved scanning near-field optical microscopy was applied to study spatial variations of photoluminescence (PL) spectra and carrier dynamics in polar InGaN/GaN single quantum wells (QWs) emitting from 410 nm to 570 nm. The main attention was devoted to variations of PL properties and carrier dynamics around V-defects. The PL intensity, peak wavelength, and linewidth, as well as the radiative and nonradiative recombination times, were found to be different in V-defect-rich and defect-free regions. The radiative lifetime close to the defects was longer up to several times, which is attributed to an increased electron and hole wave function separation in the QW plane. PL decay times, measured using excitation and collection through the near-field probe, were one to two orders of magnitude shorter than PL decay times measured in the far field. This shows that the near-field PL decay and the integrated PL intensity are primarily determined by the carrier out-diffusion from under the probe. Only in the immediate vicinity of the V-defects, the near-field PL decays due to the nonradiative recombination at dislocations. The area of such enhanced nonradiative recombination is limited to just a few percent of the total QW area. This shows that recombination via dislocations and V-defects does not play a decisive role in the overall nonradiative recombination and internal quantum efficiency of polar InGaN/GaN QWs.
    Type of Medium: Online Resource
    ISSN: 0021-8979 , 1089-7550
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2020
    detail.hit.zdb_id: 220641-9
    detail.hit.zdb_id: 3112-4
    detail.hit.zdb_id: 1476463-5
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  • 7
    Online Resource
    Online Resource
    AIP Publishing ; 2006
    In:  Physics of Fluids Vol. 18, No. 9 ( 2006-09-01)
    In: Physics of Fluids, AIP Publishing, Vol. 18, No. 9 ( 2006-09-01)
    Abstract: When a water drop falls onto an oil-water interface, the drop usually rests for some time before merging with the water underneath the interface. We report experiments on this process using water- and oil-based Newtonian liquids and polymer solutions, with an emphasis on the non-Newtonian effects. We deduce that the drop surface is immobilized by contaminants pre-existing in the fluids, and find that the rest time scales with the matrix viscosity for Newtonian fluids. The results are compared with lubrication models for film drainage. If the surrounding matrix is a dilute polymer solution, the rest time is identical to that for a matrix of the solvent alone. Further investigation indicates that the polymer molecules have been cleared from the film by surface adsorption. Depending on the fluid properties and drop size, the drop-interface merging may be completed in one shot or through a cascade of partial coalescence. Partial coalescence occurs for an intermediate range of drop sizes; it is arrested by viscosity for smaller drops and by gravity for larger ones. When either the drop or the matrix phase is a polymer solution, viscoelasticity is shown to suppress partial coalescence for smaller drops. This is apparently due to the inhibition of capillary pinch-off which would otherwise produce a secondary drop before the merging is complete.
    Type of Medium: Online Resource
    ISSN: 1070-6631 , 1089-7666
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2006
    detail.hit.zdb_id: 1472743-2
    detail.hit.zdb_id: 241528-8
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  • 8
    Online Resource
    Online Resource
    AIP Publishing ; 2007
    In:  Physics of Fluids Vol. 19, No. 8 ( 2007-08-01)
    In: Physics of Fluids, AIP Publishing, Vol. 19, No. 8 ( 2007-08-01)
    Abstract: We present an experimental investigation of a novel low Reynolds number shear flow instability triggered by a chemical reaction. An acid-base reaction taking place at the interface between a Newtonian fluid and carbopol-940 solution leads to a strong viscosity stratification, which locally destabilizes the flow. Our experimental observations are made in the context of a miscible displacement flow, for which the flow instability promotes local mixing and subsequently improves the displacement efficiency. The experimental study is complemented by a simplified normal mode analysis to shed light on the origin of the instability.
    Type of Medium: Online Resource
    ISSN: 1070-6631 , 1089-7666
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2007
    detail.hit.zdb_id: 1472743-2
    detail.hit.zdb_id: 241528-8
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  • 9
    Online Resource
    Online Resource
    AIP Publishing ; 1995
    In:  Journal of Applied Physics Vol. 78, No. 4 ( 1995-08-15), p. 2860-2862
    In: Journal of Applied Physics, AIP Publishing, Vol. 78, No. 4 ( 1995-08-15), p. 2860-2862
    Abstract: It is experimentally demonstrated that electrostatic polarization forces can in principle be utilized in generating fine bubbles and droplets, despite the lack of charge carriers that have traditionally been thought to be necessary for successful electrostatic spraying. Under the condition that the permittivity of the dispersed phase is lower than that of the continuous phase, such as when gas bubbles are sprayed into insulating liquids, the spraying behavior is regular and easy to control. If the permittivity of the dispersed phase is higher than that of the continuous phase, such as when insulating liquids are sprayed into gases, the spraying behavior lacks regularity and further research is needed before pure polarization forces can find significant applications in practical processes.
    Type of Medium: Online Resource
    ISSN: 0021-8979 , 1089-7550
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1995
    detail.hit.zdb_id: 220641-9
    detail.hit.zdb_id: 3112-4
    detail.hit.zdb_id: 1476463-5
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  • 10
    Online Resource
    Online Resource
    AIP Publishing ; 2006
    In:  Applied Physics Letters Vol. 88, No. 14 ( 2006-04-03)
    In: Applied Physics Letters, AIP Publishing, Vol. 88, No. 14 ( 2006-04-03)
    Abstract: Data are presented showing significant structure in the collector I-V characteristics of a transistor laser, a decrease (“compression”) in the common-emitter gain (β≡ΔIC∕ΔIB), that can be mapped in some detail and related to quantum well (QW) carrier recombination. The change in gain (β) and laser wavelength corresponding to stimulated recombination (stimulated emission) on QW transitions, which is compared with operation in spontaneous recombination (cavity Q spoiled), is used with conventional transistor charge analysis to reveal the dynamic properties of the transistor laser.
    Type of Medium: Online Resource
    ISSN: 0003-6951 , 1077-3118
    RVK:
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2006
    detail.hit.zdb_id: 211245-0
    detail.hit.zdb_id: 1469436-0
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