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81.
The rotational spectra of three low-energy conformers of thiodiglycol (TDG) (HOCH2CH2SCH2CH2OH) have been measured in a molecular beam using a pulsed-nozzle Fourier-transform microwave spectrometer. To determine the likely conformational structures with ab initio approach, conformational structures of 2-(ethylthio)ethanol (HOEES) (CH3CH2SCH2CH2OH) were used as starting points together with the consideration of possible intramolecular hydrogen bonding in TDG. Three lower-energy conformers have been found for TDG at the MP2=Full/6311G** level and ab initio results agree nicely with experimentally determined rotational constants. In addition, Stark measurements were performed for two of the three conformers for dipole moment determinations, adding to our confidence of the conformational structure matches between experimental observations and ab initio calculations. Of the three lower-energy conformers, one displays a compact folded-like structure with strong hydrogen bonding between the two hydroxyl groups and the central sulfide atom. Two other conformers have relatively open chain-like structures with hydrogen bonding between each of the hydroxyl groups to the central sulfur atom, of which one has pure b-type dipole moment according to the ab initio results. 相似文献
82.
Many existing methods for the recovery of optical parameters from turbid materials rely on the diffusion approximation, which does not permit the recovery of the degree of anisotropy in the scattering phase function. These methods also make the explicit assumption that light is normally incident at the top surface of the material. We demonstrate a steady-state imaging technique that uses nonnormally incident light to determine anisotropy parameter g by fitting Monte Carlo simulation results to high dynamic range images of the intensity profiles of samples. The proposed method is simpler than existing methods and does not rely on thin samples to produce reasonable results. 相似文献
83.
U. P. Verma N. Devi S. Sharma P. Jensen 《The European Physical Journal B - Condensed Matter and Complex Systems》2011,81(4):381-386
First-principles calculations based on the density functional theory are
performed to study the structural properties, spin-polarized electronic band
structures, density of states and magnetic properties of the zinc blende
In1−
x
Mn
x
Sb (x = 0.125, 0.25, 0.50, 0.75, 1.0).
The calculated lattice constants of In1−
x
Mn
x
Sb
obey the Vegard’s law with a marginal upward bowing. With the increase of Mn
concentration in In1−
x
Mn
x
Sb, a transition from
the semi-metallic to the half-metallic behavior happens such that the
majority-spin valence states crosses the Fermi level and the minority-spin
states have a gap at the Fermi level. A large exchange splitting
(∼ 4 eV) is observed between Mn 3d states of the majority-spins
and the minority-spins. The total magnetic moment of
In1−
x
Mn
x
Sb half-metallic ferromagnets per Mn
atom basis is 4μ
B. The total magnetic moment per Mn atom
indicate that Mn atoms act as acceptors in InSb and contribute to holes in
the lattice of InSb. Due to p-d hybridization, the free space charge of Mn
reduces that results a loss in its magnetic moment. The loss in the magnetic
moment of the Mn atoms is converted into a small local magnetic moments on
the In and Sb sites. 相似文献
84.
Deokki Min Nils Hoivik Geir Uri Jensen Frode Tyholdt Camilla Haavik Ulrik Hanke 《Applied Physics A: Materials Science & Processing》2011,105(4):867-874
The dielectric properties of zirconium dioxide (ZrO2) ceramic thin films were characterized up to 50 GHz using coplanar waveguides (CPWs) and metal–insulator–metal (MIM) capacitors
with top circular electrodes. The ZrO2 films were deposited using a chemical solution onto high-resistivity Si wafers and metal layers. The real part of the dielectric
constant of approximately 22 and 26 was extracted at 50 GHz for CPW and MIM structures, respectively, and the loss tangent
was approximately 0.09 at 50 GHz. C–V and I–V measurements were carried out to determine low-frequency and DC dielectric properties. The measurement results indicate that
ZrO2 is a promising material to be used as a dielectric layer for radio-frequency (RF) microelectromechanical systems (MEMS) capacitive
switches. 相似文献
85.
Poonam Singh U.P. Verma Per Jensen 《Journal of Physics and Chemistry of Solids》2011,72(12):1414-1418
The structural, electronic and optical properties of HgAl2Se4 are investigated using the full potential linear augmented plane wave method based on density functional theory. The calculated structural parameters using LDA are in excellent agreement with the available experimental result. The obtained energy band gap (2.24 eV) using EV-GGA approximation is in excellent agreement with experimental data (2.20 eV). Variation in the energy band gap as a function of the unit cell lattice parameter has been studied. The optical properties show a considerable anisotropy, which makes this compound very useful for various linear–nonlinear optical devices. 相似文献
86.
A computationally efficient finite element model with perfectly matched layers applied to scattering from axially symmetric objects 总被引:1,自引:0,他引:1
Zampolli M Tesei A Jensen FB Malm N Blottman JB 《The Journal of the Acoustical Society of America》2007,122(3):1472
A frequency-domain finite-element (FE) technique for computing the radiation and scattering from axially symmetric fluid-loaded structures subject to a nonsymmetric forcing field is presented. The Berenger perfectly matched layer (PML), applied directly at the fluid-structure interface, makes it possible to emulate the Sommerfeld radiation condition using FE meshes of minimal size. For those cases where the acoustic field is computed over a band of frequencies, the meshing process is simplified by the use of a wavelength-dependent rescaling of the PML coordinates. Quantitative geometry discretization guidelines are obtained from a priori estimates of small-scale structural wavelengths, which dominate the acoustic field at low to mid frequencies. One particularly useful feature of the PML is that it can be applied across the interface between different fluids. This makes it possible to use the present tool to solve problems where the radiating or scattering objects are located inside a layered fluid medium. The proposed technique is verified by comparison with analytical solutions and with validated numerical models. The solutions presented show close agreement for a set of test problems ranging from scattering to underwater propagation. 相似文献
87.
Krauter H Muschik CA Jensen K Wasilewski W Petersen JM Cirac JI Polzik ES 《Physical review letters》2011,107(8):080503
Entanglement is a striking feature of quantum mechanics and an essential ingredient in most applications in quantum information. Typically, coupling of a system to an environment inhibits entanglement, particularly in macroscopic systems. Here we report on an experiment where dissipation continuously generates entanglement between two macroscopic objects. This is achieved by engineering the dissipation using laser and magnetic fields, and leads to robust event-ready entanglement maintained for 0.04 s at room temperature. Our system consists of two ensembles containing about 10(12) atoms and separated by 0.5 m coupled to the environment composed of the vacuum modes of the electromagnetic field. By combining the dissipative mechanism with a continuous measurement, steady state entanglement is continuously generated and observed for up to 1 h. 相似文献
88.
89.
K E Jensen T Grube C Thomsen P G S?rensen P Christoffersen H Karle O Henriksen 《Magnetic resonance imaging》1988,6(3):291-292
In vitro as well as in vivo studies have shown prolonged T1 relaxation times in patients with acute leukemia. The mechanism behind this finding is not known. In order to evaluate if this was specific for leukemia we examined eight patients with polycythemia vera, representing a condition with a rather benign bone marrow neoplasia. In this group of patients we found prolonged T1 relaxation times but normal T2 relaxation times. This may indicate that the prolonged T1 relaxation time seen in leukemic bone marrow is not due to the malignant cell per se. 相似文献
90.
D.R. Jensen 《Journal of multivariate analysis》1997,60(2):188-202
Distribution-free results beyond Gauss-Markov theory are found under weak assumptions regarding the errors. Symmetry, unimodality, and location-scale families are studied in estimation; nonstandard versions of Gauss–Markov results are given; and distribution-free confidence sets are tightened under symmetry and unimodality of errors. Normal-theory approximate tests are seen to exhibit monotone power in certain classes of symmetric unimodal errors. 相似文献