R. S. Said; J. Twamley
2009-03-23
We address a problem of generating a robust entangling gate between electronic and nuclear spins in the system of a single nitrogen-vacany centre coupled to a nearest Carbon-13 atom in diamond against certain types of systematic errors such as pulse-length and off-resonance errors. We analyse the robustness of various control schemes: sequential pulses, composite pulses and numerically-optimised pulses. We find that numerically-optimised pulses, produced by the gradient ascent pulse engineering algorithm (GRAPE), are more robust than the composite pulses and the sequential pulses. The optimised pulses can also be implemented in a faster time than the composite pulses.
CARBON-13 Nuclear Magnetic Resonance in Solids.
NASA Astrophysics Data System (ADS)
Gan, Zhehong
The rotational resonance phenomena induced by the modulation of the interactions in magnetic angle spinning (MAS) nuclear magnetic resonance (NMR) experiments have been demonstrated for the first time. In the study of chemical shielding, the rotational resonance occurs when a spin-lock field with an amplitude of nomega _{rm r} (n = 1,2) is applied where omega_{rm r} is the spinning speed. The magnetization, which nutates in the rotating frame at a frequency related to the chemical shift anisotropy (CSA), allows for the retrieval of the CSA from MAS NMR spectra at a high spinning speed. In addition, a similar rotational resonance phenomenon was studied in a homonuclear spin coupled system. The resonance occurs when the separation of the isotropic chemical shifts of the two spins equal omega_{ rm r}. The rotational resonance restores a splitting pattern in the MAS spectra and enhances the flip-flop motion of the two spins. Also, the sample spinning NMR of homonuclear coupled systems has been analyzed by a pseudo-spin model. In the case of the ^ {13}C dilabelled phthalic anhydride, the analyses at different spinning speeds lead to the determination of the orientation of the chemical shielding tensor. The quadrupolar effect in ^{13 }C-^{14}N coupled spins is manifested in the ^{13 }C MAS spectra by the appearance of an asymmetric doublet. A simple analytical solution to this quadrupolar effect was developed to study ^{13 }C-^{14}N systems for information on both the electric field gradient (EFG) tensor of the nitrogen and the ^{13 }C-^{14}N bond distance. Furthermore, the variable angle sample spinning technique has been applied to determine of the chemical shielding tensors with their orientation for these systems. The molecules studied include tetramethyl-pyrazine, dimethylglyoxime and triethylenediamine. The effect of relaxation in solid state NMR dipolar spectra was studied. The cross relaxation terms introduce a peak in the center of the expected Pake doublet. The dipolar spectra of methyl phosphonic acid at room temperature and methyl fluoride at low temperature (25 K) were used to study this effect.
Lorenz, Klaus; Preston, Caroline M
2002-01-01
Condensed tannins can be found in various parts of many plants. Unlike lignin there has been little study of their fate as they enter the soil organic matter pool and their influence on nutrient cycling, especially through their protein-binding properties. We extracted and characterized tannin-rich fractions from humus collected in 1998 from a black spruce [Picea mariana (Mill.) Britton et al.] forest in Canada where a previous study (1995) showed high levels (3.8% by weight) of condensed tannins. A reference tannin purified from black spruce needles was characterized by solution 13C nuclear magnetic resonance (NMR) as a pure procyanidin with mainly cis stereochemistry and an average chain length of four to five units. The colorimetric proanthocyanidin (PA) assay, standardized against the black spruce tannin, showed that both extracted humus fractions had higher tannin contents than the original humus (2.84% and 11.17% vs. 0.08%), and accounted for 32% of humus tannin content. Consistent with the results from the chemical assay, the aqueous fraction showed higher tannin signals in the 13C cross-polarization and magic-angle spinning (CPMAS) NMR spectrum than the emulsified one. As both tannin-rich humus fractions were depleted in N and high in structures derived from lignin and cutin, they did not have properties consistent with recaldtrant tannin-protein complexes proposed as a mechanism for N sequestration in humus. Further studies are needed to establish if tannin-protein structures in humus can be detected or isolated, or if tannins contribute to forest management problems observed in these ecosystems by binding to and slowing down the activity of soil enzymes. PMID:11931430
The first observation of Carbon-13 spin noise spectra
NASA Astrophysics Data System (ADS)
Schlagnitweit, Judith; Müller, Norbert
2012-11-01
We demonstrate the first 13C NMR spin noise spectra obtained without any pulse excitation by direct detection of the randomly fluctuating noise from samples in a cryogenically cooled probe. Noise power spectra were obtained from 13C enriched methanol and glycerol samples at 176 MHz without and with 1H decoupling, which increases the sensitivity without introducing radio frequency interference with the weak spin noise. The multiplet amplitude ratios in 1H coupled spectra indicate that, although pure spin noise prevails in these spectra, the influence of absorbed circuit noise is still significant at the high concentrations used. In accordance with the theory heteronuclear Overhauser enhancements are absent from the 1H-decoupled 13C spin noise spectra.
Nuclear spin circular dichroism
NASA Astrophysics Data System (ADS)
Vaara, Juha; Rizzo, Antonio; Kauczor, Joanna; Norman, Patrick; Coriani, Sonia
2014-04-01
Recent years have witnessed a growing interest in magneto-optic spectroscopy techniques that use nuclear magnetization as the source of the magnetic field. Here we present a formulation of magnetic circular dichroism (CD) due to magnetically polarized nuclei, nuclear spin-induced CD (NSCD), in molecules. The NSCD ellipticity and nuclear spin-induced optical rotation (NSOR) angle correspond to the real and imaginary parts, respectively, of (complex) quadratic response functions involving the dynamic second-order interaction of the electron system with the linearly polarized light beam, as well as the static magnetic hyperfine interaction. Using the complex polarization propagator framework, NSCD and NSOR signals are obtained at frequencies in the vicinity of optical excitations. Hartree-Fock and density-functional theory calculations on relatively small model systems, ethene, benzene, and 1,4-benzoquinone, demonstrate the feasibility of the method for obtaining relatively strong nuclear spin-induced ellipticity and optical rotation signals. Comparison of the proton and carbon-13 signals of ethanol reveals that these resonant phenomena facilitate chemical resolution between non-equivalent nuclei in magneto-optic spectra.
Nuclear spin circular dichroism
Vaara, Juha; Rizzo, Antonio; Kauczor, Joanna; Norman, Patrick; Coriani, Sonia
2014-04-07
Recent years have witnessed a growing interest in magneto-optic spectroscopy techniques that use nuclear magnetization as the source of the magnetic field. Here we present a formulation of magnetic circular dichroism (CD) due to magnetically polarized nuclei, nuclear spin-induced CD (NSCD), in molecules. The NSCD ellipticity and nuclear spin-induced optical rotation (NSOR) angle correspond to the real and imaginary parts, respectively, of (complex) quadratic response functions involving the dynamic second-order interaction of the electron system with the linearly polarized light beam, as well as the static magnetic hyperfine interaction. Using the complex polarization propagator framework, NSCD and NSOR signals are obtained at frequencies in the vicinity of optical excitations. Hartree-Fock and density-functional theory calculations on relatively small model systems, ethene, benzene, and 1,4-benzoquinone, demonstrate the feasibility of the method for obtaining relatively strong nuclear spin-induced ellipticity and optical rotation signals. Comparison of the proton and carbon-13 signals of ethanol reveals that these resonant phenomena facilitate chemical resolution between non-equivalent nuclei in magneto-optic spectra.
Carbon-13 and proton nuclear magnetic resonance spectra were obtained for 12 chlorinated naphthalenes and six chlorinated naphthols, some of which are metabolites of the naphthalenes. The validity of the use of additivity of chlorine and hydroxyl substituent effects to predict 13...
Thorn, Kevin A.; Folan, Daniel W.; MacCarthy, Patrick
1989-01-01
Standard and reference samples of the International Humic Substances Society have been characterized by solution state carbon-13 and hydrogen-1 nuclear magnetic resonance (NMR) spectrometry. Samples included the Suwannee River, soil, and peat standard fulvic and humic acids, the Leonardite standard humic acid, the Nordic aquatic reference fulvic and humic acids, and the Summit Hill soil reference humic acid. Aqueous-solution carbon-13 NMR analyses included the measurement of spin-lattice relaxation times, measurement of nuclear Overhauser enhancement factors, measurement of quantitative carbon distributions, recording of attached proton test spectra, and recording of spectra under nonquantitative conditions. Distortionless enhancement by polarization transfer carbon-13 NMR spectra also were recorded on the Suwannee River fulvic acid in deuterated dimethyl sulfoxide. Hydrogen-1 NMR spectra were recorded on sodium salts of the samples in deuterium oxide. The carbon aromaticities of the samples ranged from 0.24 for the Suwannee River fulvic acid to 0.58 for the Leonardite humic acid.
Zhao, Nan; Schmid, Berhard; Isoya, Junichi; Markham, Mathew; Twitchen, Daniel; Jelezko, Fedor; Liu, Ren-Bao; Fedder, Helmut; Wrachtrup, Jörg
2012-01-01
Sensing single nuclear spins is a central challenge in magnetic resonance based imaging techniques. Although different methods and especially diamond defect based sensing and imaging techniques in principle have shown sufficient sensitivity, signals from single nuclear spins are usually too weak to be distinguished from background noise. Here, we present the detection and identification of remote single C-13 nuclear spins embedded in nuclear spin baths surrounding a single electron spins of a nitrogen-vacancy centre in diamond. With dynamical decoupling control of the centre electron spin, the weak magnetic field ~10 nT from a single nuclear spin located ~3 nm from the centre with hyperfine coupling as weak as ~500 Hz is amplified and detected. The quantum nature of the coupling is confirmed and precise position and the vector components of the nuclear field are determined. Given the distance over which nuclear magnetic fields can be detected the technique marks a firm step towards imaging, detecting and cont...
NASA Technical Reports Server (NTRS)
Dalling, D. K.; Pugmire, R. J.
1982-01-01
Preliminary results of a nuclear magnetic resonance (NMR) spectroscopy study of alternative jet fuels are presented. A referee broadened-specification (ERBS) aviation turbine fuel, a mixture of 65 percent traditional kerosene with 35 percent hydrotreated catalytic gas oil (HCGO) containing 12.8 percent hydrogen, and fuels of lower hydrogen content created by blending the latter with a mixture of HCGO and xylene bottoms were studied. The various samples were examined by carbon-13 and proton NMR at high field strength, and the resulting spectra are shown. In the proton spectrum of the 12.8 percent hydrogen fuel, no prominent single species is seen while for the blending stock, many individual lines are apparent. The ERBS fuels were fractionated by high-performance liquid chromatography and the resulting fractions analyzed by NMR. The species found are identified.
Nan Zhao; Jan Honert; Berhard Schmid; Junichi Isoya; Mathew Markham; Daniel Twitchen; Fedor Jelezko; Ren-Bao Liu; Helmut Fedder; Jörg Wrachtrup
2012-04-29
Sensing single nuclear spins is a central challenge in magnetic resonance based imaging techniques. Although different methods and especially diamond defect based sensing and imaging techniques in principle have shown sufficient sensitivity, signals from single nuclear spins are usually too weak to be distinguished from background noise. Here, we present the detection and identification of remote single C-13 nuclear spins embedded in nuclear spin baths surrounding a single electron spins of a nitrogen-vacancy centre in diamond. With dynamical decoupling control of the centre electron spin, the weak magnetic field ~10 nT from a single nuclear spin located ~3 nm from the centre with hyperfine coupling as weak as ~500 Hz is amplified and detected. The quantum nature of the coupling is confirmed and precise position and the vector components of the nuclear field are determined. Given the distance over which nuclear magnetic fields can be detected the technique marks a firm step towards imaging, detecting and controlling nuclear spin species external to the diamond sensor.
Thurman, E.M.; Willoughby, T.; Barber, L.B., Jr.; Thorn, K.A.
1987-01-01
Alkylbenzenesulfonate surfactants were determined in groundwater at concentrations as low as 0.3 mg/L. The method uses XAD-8 resin for concentration, followed by elution with methanol, separation of anionic and nonionic surfactants by anion exchange, quantitation by titration, and identification by 13C nuclear magnetic resonance spectrometry. Laboratory standards and field samples containing straight-chain and branched-chain alkylbenzenesulfonates, sodium dodecyl sulfate, and alkylbenzene ethoxylates were studied. The XAD-8 extraction of surfactants from groundwater was completed in the field, which simplified sample preservation and reduced the cost of transporting samples.
NASA Technical Reports Server (NTRS)
Dalling, D. K.; Bailey, B. K.; Pugmire, R. J.
1984-01-01
A proton and carbon-13 nuclear magnetic resonance (NMR) study was conducted of Ashland shale oil refinery products, experimental referee broadened-specification jet fuels, and of related isoprenoid model compounds. Supercritical fluid chromatography techniques using carbon dioxide were developed on a preparative scale, so that samples could be quantitatively separated into saturates and aromatic fractions for study by NMR. An optimized average parameter treatment was developed, and the NMR results were analyzed in terms of the resulting average parameters; formulation of model mixtures was demonstrated. Application of novel spectroscopic techniques to fuel samples was investigated.
Sensing single remote nuclear spins.
Zhao, Nan; Honert, Jan; Schmid, Bernhard; Klas, Michael; Isoya, Junichi; Markham, Matthew; Twitchen, Daniel; Jelezko, Fedor; Liu, Ren-Bao; Fedder, Helmut; Wrachtrup, Jörg
2012-10-01
The detection of single nuclear spins would be useful for fields ranging from basic science to quantum information technology. However, although sensing based on diamond defects and other methods have shown high sensitivity, they have not been capable of detecting single nuclear spins, and defect-based techniques further require strong defect-spin coupling. Here, we present the detection and identification of single and remote (13)C nuclear spins embedded in nuclear spin baths surrounding a single electron spin of a nitrogen-vacancy centre in diamond. We are able to amplify and detect the weak magnetic field noise (?10 nT) from a single nuclear spin located ?3 nm from the centre using dynamical decoupling control, and achieve a detectable hyperfine coupling strength as weak as ?300 Hz. We also confirm the quantum nature of the coupling, and measure the spin-defect distance and the vector components of the nuclear field. The technique marks a step towards imaging, detecting and controlling nuclear spins in single molecules. PMID:22941402
Switched Control of Electron Nuclear Spin Systems
Navin Khaneja
2007-07-11
In this article, we study control of electron-nuclear spin dynamics at magnetic field strengths where the Larmor frequency of the nucleus is comparable to the hyperfine coupling strength. The quantization axis for the nuclear spin differs from the static B_0 field direction and depends on the state of the electron spin. The quantization axis can be switched by flipping the state of electron spin, allowing for universal control on nuclear spin states. We show that by performing a sequence of flips (each followed by a suitable delay), we can perform any desired rotation on the nuclear spins, which can also be conditioned on the state of the electron spin. These operations, combined with electron spin rotations can be used to synthesize any unitary transformation on the coupled electron-nuclear spin system. We discuss how these methods can be used for design of experiments for transfer of polarization from the electron to the nuclear spins.
Electron spin decoherence in nuclear spin baths and dynamical decoupling
Zhao, N.; Yang, W.; Ho, S. W.; Hu, J. L.; Wan, J. T. K.; Liu, R. B.
2011-12-23
We introduce the quantum theory of the electron spin decoherence in a nuclear spin bath and the dynamical decoupling approach for protecting the electron spin coherence. These theories are applied to various solid-state systems, such as radical spins in molecular crystals and NV centers in diamond.
High-spin nuclear spectroscopy
Diamond, R.M.
1986-07-01
High-spin spectroscopy is the study of the changes in nuclear structure, properties, and behavior with increasing angular momentum. It involves the complex interplay between collective and single-particle motion, between shape and deformation changes, particle alignments, and changes in the pairing correlations. A review of progress in theory, experimentation, and instrumentation in this field is given. (DWL)
A Short Set of Carbon 13-NMR Correlation Tables.
ERIC Educational Resources Information Center
Brown, D. W.
1985-01-01
Presents a short set of carbon-13 nuclear magnetic resonance (NMR) tables. These tables not only serve pedagogic purposes but also allow students to do calculations rapidly and with acceptable accuracy for a wide variety of compounds. (JN)
Electron Spin Decoherence in Silicon Carbide Nuclear Spin Bath
Li-Ping Yang; Christian Burk; Mattias Widmann; Sang-Yun Lee; Jörg Wrachtrup; Nan Zhao
2014-09-16
In this paper, we study the electron spin decoherence of single defects in silicon carbide (SiC) nuclear spin bath. We find that, although the natural abundance of $^{29}\\rm{Si}$ ($p_{\\rm{Si}}=4.7\\%$) is about 4 times larger than that of $^{13}{\\rm C}$ ($p_{\\rm{C}}=1.1\\%$), the electron spin coherence time of defect centers in SiC nuclear spin bath in strong magnetic field ($B>300~\\rm{Gauss}$) is longer than that of nitrogen-vacancy (NV) centers in $^{13}{\\rm C}$ nuclear spin bath in diamond. The reason for this counter-intuitive result is the suppression of heteronuclear-spin flip-flop process in finite magnetic field. Our results show that electron spin of defect centers in SiC are excellent candidates for solid state spin qubit in quantum information processing.
NASA Astrophysics Data System (ADS)
Grassi, Antonio; Perly, Bruno; Pappalardo, Giuseppe C.
1989-02-01
Carbon-13 NMR spin-lattice relaxation times ( T1) were measured for morphine, oxymorphone, nalorphine, naloxone and naltrexone as hydrochloride salts in 2H 2O solution. The data refer to the molecules in the N-equatorial configuration. The experimental T1 values were interpreted using a model of anisotropic reorientation of a rigid body with superimposed internal motions of the flexible N-methyl, N-methyl-allyl and N-methyl-cyclopropyl fragments. The calculated internal motional rates were found to markedly decrease on passing from agonists to mixed (nalorphine) and pure (naloxone, naltrexone) antagonists. For these latter the observed trend of the internal flexibility about N?C and C?C bonds of the N-substituents is discussed in terms of a correlation with their relative antagonistic potencies. In fact, such an evidence of decreasing internal conformational dynamics in the order nalorphine, naloxone, naltrexone, appeared interestingly in line with the "two-state" model of opiate receptor operation mode proposed by Snyder.
Nuclear spin noise in NMR revisited
Ferrand, Guillaume; Luong, Michel; Desvaux, Hervé
2015-01-01
The theoretical shapes of nuclear spin-noise spectra in NMR are derived by considering a receiver circuit with finite, preamplifier input impedance and a transmission line between the preamplifier and the probe. Using this model, it becomes possible to reproduce all observed experimental features: variation of the NMR resonance linewidth as a function of the transmission line phase, nuclear spin-noise signals appearing as a "bump" or as a "dip" superimposed on the average electronic noise level even for a spin system and probe at the same temperature, pure in-phase Lorentzian spin-noise signals exhibiting non-vanishing frequency shifts. Extensive comparison to experimental measurements validate the model predictions, and define the conditions for obtaining pure in-phase Lorentzian-shape nuclear spin noise with a vanishing frequency shift, in other words, the conditions for simultaneously obtaining the Spin-Noise and Frequency-Shift Tuning Optima.
Nuclear spin noise in NMR revisited
NASA Astrophysics Data System (ADS)
Ferrand, Guillaume; Huber, Gaspard; Luong, Michel; Desvaux, Hervé
2015-09-01
The theoretical shapes of nuclear spin-noise spectra in NMR are derived by considering a receiver circuit with finite preamplifier input impedance and a transmission line between the preamplifier and the probe. Using this model, it becomes possible to reproduce all observed experimental features: variation of the NMR resonance linewidth as a function of the transmission line phase, nuclear spin-noise signals appearing as a "bump" or as a "dip" superimposed on the average electronic noise level even for a spin system and probe at the same temperature, pure in-phase Lorentzian spin-noise signals exhibiting non-vanishing frequency shifts. Extensive comparisons to experimental measurements validate the model predictions, and define the conditions for obtaining pure in-phase Lorentzian-shape nuclear spin noise with a vanishing frequency shift, in other words, the conditions for simultaneously obtaining the spin-noise and frequency-shift tuning optima.
Wilson, M.A.; Pugmire, R.J.; Karas, J.; Alemany, L.B.; Woolfenden, W.R.; Grant, D.M.; Given, P.H.
1984-01-01
Conventional and dipolar dephasing CP/MAS /sup 13/C NMR experiments are reported on 63 coals and coal macerals from lignite to anthracite ranks (from the US, the United Kingdom, and Australia). While the conventional experiment can yield only f/sub a/ (the fraction of carbon that is sp/sub 2/ hybridized), the dipolar dephasing experiments provide estimates of four other structural parameters. Examination of the dipolar dephasing data reveals an overall increase. While loss of substituents from aromatic rings with little aromatic cross-linking occurs until the anthracite stage is reached, the dipolar dephasing experiments also yield decay constants for different functional groups that are similar to the decay constants obtained with simple organic compounds. Because full characterization of a sample by the dipolar approach has been developed for obtaining less precise f/sub a/sup a,H/, f/sub a/sup H/, f/sub Me/, and H/sub a/ values. The data so obtained are particularly useful for quickly comparing samples. 43 references, 7 tables, 9 figures.
Nuclear spin conversion in diatomic molecules
Il'ichev, L. V. Shalagin, A. M.
2013-07-15
A mechanism of the internal interaction in dimers that mixes different nuclear spin modifications has been proposed. It has been shown that the intramolecular current associated with transitions between electronic terms of different parities can generate different magnetic fields on nuclei, leading to transitions between spin modifications and to the corresponding changes in rotational states. In the framework of the known quantum relaxation process, this interaction initiates irreversible conversion of nuclear spin modifications. The estimated conversion rate for nitrogen at atmospheric pressure is quite high (10{sup -3}-10{sup -5} s{sup -1})
Liquid-state nuclear spin comagnetometers.
Ledbetter, M P; Pustelny, S; Budker, D; Romalis, M V; Blanchard, J W; Pines, A
2012-06-15
We discuss nuclear spin comagnetometers based on ultralow-field nuclear magnetic resonance in mixtures of miscible solvents, each rich in a different nuclear spin. In one version thereof, Larmor precession of protons and 19F nuclei in a mixture of thermally polarized pentane and hexafluorobenzene is monitored via a sensitive alkali-vapor magnetometer. We realize transverse relaxation times in excess of 20 s and suppression of magnetic field fluctuations by a factor of 3400. We estimate it should be possible to achieve single-shot sensitivity of about 5×10(-9)??Hz, or about 5×10(-11)??Hz in ?1 day of integration. In a second version, spin precession of protons and 129Xe nuclei in a mixture of pentane and hyperpolarized liquid xenon is monitored using superconducting quantum interference devices. Application to spin-gravity experiments, electric dipole moment experiments, and sensitive gyroscopes is discussed. PMID:23004267
Time-optimal polarization transfer from an electron spin to a nuclear spin
Haidong Yuan; Robert Zeier; Nikolas Pomplun; Steffen J. Glaser; Navin Khaneja
2015-09-07
Polarization transfers from an electron spin to a nuclear spin are essential for various physical tasks, such as dynamic nuclear polarization in nuclear magnetic resonance and quantum state transformations on hybrid electron-nuclear spin systems. We present time-optimal schemes for electron-nuclear polarization transfers which improve on conventional approaches and will have wide applications.
Spin-polarized states of nuclear matter
W. Zuo; U. Lombardo; C. W. Shen
2002-04-23
The equations of state of spin-polarized nuclear matter and pure neutron matter are studied in the framework of the Brueckner-Hartree-Fock theory including a three-body force. The energy per nucleon $E_A(\\delta)$ calculated in the full range of spin polarization ${\\delta} = \\frac{\\rho_{\\uparrow}-\\rho_{\\downarrow}}{\\rho}$ for symmetric nuclear matter and pure neutron matter fulfills a parabolic law. In both cases the spin-symmetry energy is calculated as a function of the baryonic density along with the related quantities such as the magnetic susceptibility and the Landau parameter $G_0$. The main effect of the three-body force is to strongly reduce the degenerate Fermi gas magnetic susceptibility even more than the value with only two body force. The EOS is monotonically increasing with the density for all spin-aligned configurations studied here so that no any signature is found for a spontaneous transition to a ferromagnetic state.
Spin-isospin stability of nuclear matter
N. Kaiser
2006-01-31
We calculate the density-dependent spin-isospin asymmetry energy $J(k_f)$ of nuclear matter in the three-loop approximation of chiral perturbation theory. The interaction contributions to $J(k_f)$ originate from one-pion exchange, iterated one-pion exchange, and irreducible two-pion exchange with no, single, and double virtual $\\Delta$-isobar excitation. We find that the approximation to $1\\pi$-exchange and iterated $1\\pi$-exchange terms (which leads already to a good nuclear matter equation of state by adjusting an emerging contact-term) is spin-isospin stable, since $J(k_{f0})\\simeq 24 {\\rm MeV}>0$. The inclusion of the chiral $\\pi N\\Delta$-dynamics, necessary in order to guarantee the spin-stability of nuclear matter, keeps this property intact. The corresponding spin-isospin asymmetry energy $J(k_f)$ stays positive even for extreme values of an undetermined short-distance parameter $J_5$ (whose possible range we estimate from realistic NN-potentials). The largest positive contribution to $J(k_f)$ (a term linear in density) comes from a two-body contact-term with its strength fitted to the empirical nuclear matter saturation point.
Spin-asymmetry energy of nuclear matter
N. Kaiser
2004-10-05
We calculate the density-dependent spin-asymmetry energy $S(k_f)$ of isospin-symmetric nuclear matter in the three-loop approximation of chiral perturbation theory. The interaction contributions to $S(k_f)$ originate from one-pion exchange, iterated one-pion exchange, and (irreducible) two-pion exchange with no, single, and double virtual $\\Delta$-isobar excitation. We find that the truncation to $1\\pi$-exchange and iterated $1\\pi$-exchange terms (which leads already to a good nuclear matter equation of state) is spin-unstable, since $S(k_{f0})<0$. The inclusion of the chiral $\\pi N\\Delta$-dynamics guarantees the spin-stability of nuclear matter. The corresponding spin-asymmetry energy $S(k_f)$ stays positive within a wide range of an undetermined short-range parameter $S_5$ (which we also estimate from realistic NN-potentials). Our results reemphasize the important role played by two-pion exchange with virtual $\\Delta$-isobar excitation for the nuclear matter many-body problem. Its explicit inclusion is essential in order to obtain good bulk and single-particle properties.
Nuclear spin effects in optical lattice clocks
Boyd, Martin M.; Zelevinsky, Tanya; Ludlow, Andrew D.; Blatt, Sebastian; Zanon-Willette, Thomas; Foreman, Seth M.; Ye Jun
2007-08-15
We present a detailed experimental and theoretical study of the effect of nuclear spin on the performance of optical lattice clocks. With a state-mixing theory including spin-orbit and hyperfine interactions, we describe the origin of the {sup 1}S{sub 0}-{sup 3}P{sub 0} clock transition and the differential g factor between the two clock states for alkaline-earth-metal(-like) atoms, using {sup 87}Sr as an example. Clock frequency shifts due to magnetic and optical fields are discussed with an emphasis on those relating to nuclear structure. An experimental determination of the differential g factor in {sup 87}Sr is performed and is in good agreement with theory. The magnitude of the tensor light shift on the clock states is also explored experimentally. State specific measurements with controlled nuclear spin polarization are discussed as a method to reduce the nuclear spin-related systematic effects to below 10{sup -17} in lattice clocks.
$^{29}$Si nuclear spins as a resource for donor spin qubits in silicon
Gary Wolfowicz; Pierre-Andre Mortemousque; Roland Guichard; Stephanie Simmons; Mike L. W. Thewalt; Kohei M. Itoh; John J. L. Morton
2015-05-08
Nuclear spin registers in the vicinity of electron spins in solid state systems offer a powerful resource to address the challenge of scalability in quantum architectures. We investigate here the properties of $^{29}$Si nuclear spins surrounding donor atoms in silicon, and consider the use of such spins, combined with the donor nuclear spin, as a quantum register coupled to the donor electron spin. We find the coherence of the nearby $^{29}$Si nuclear spins is effectively protected by the presence of the donor electron spin, leading to coherence times in the second timescale - over two orders of magnitude greater than the coherence times in bulk silicon. We theoretically investigate the use of such a register for quantum error correction, including methods to protect nuclear spins from the ionisation/neutralisation of the donor, which is necessary for the re-initialisation of the ancillae qubits. This provides a route for multi-round quantum error correction using donors in silicon.
Dynamic nuclear polarization of carbonyl and methyl 13C spins in acetate using trityl OX063
NASA Astrophysics Data System (ADS)
Niedbalski, Peter; Parish, Christopher; Lumata, Lloyd
2015-03-01
Hyperpolarization via dissolution dynamic nuclear polarization (DNP) is a physics technique that amplifies the magnetic resonance signals by several thousand-fold for biomedical NMR spectroscopy and imaging (MRI). Herein we have investigated the effect of carbon-13 isotopic location on the DNP of acetate (one of the biomolecules commonly used for hyperpolarization) at 3.35 T and 1.4 K using a narrow ESR linewidth free radical trityl OX063. We have found that the carbonyl 13C spins yielded about twice the polarization produced in methyl 13C spins. Deuteration of the methyl group, beneficial in the liquid-state, did not produce an improvement in the polarization level at cryogenic conditions. Concurrently, the solid-state nuclear relaxation of these samples correlate with the polarization levels achieved. These results suggest that the location of the 13C isotopic labeling in acetate has a direct impact on the solid-state polarization achieved and is mainly governed by the nuclear relaxation leakage factor.
Impact of nuclear spin dynamics on electron transport through donors
NASA Astrophysics Data System (ADS)
Gorman, S. K.; Broome, M. A.; Baker, W. J.; Simmons, M. Y.
2015-09-01
We present an analysis of electron transport through two weakly coupled precision-placed phosphorus donors in silicon. In particular, we examine the (1,1)?(0,2) charge transition where we predict a type of current blockade driven entirely by the nuclear spin dynamics. Using this nuclear spin blockade mechanism, we devise a protocol to read out the state of single nuclear spins using electron-transport measurements only. We extend our model to include realistic effects such as Stark shifted hyperfine interactions and multidonor clusters. In the case of multidonor clusters we show how nuclear spin blockade can be alleviated, allowing for low magnetic field electron-spin measurements.
Nuclear Spins as Quantum Memory in Semiconductor Nanostructures
W. M. Witzel; S. Das Sarma
2007-08-01
We theoretically consider solid state nuclear spins in a semiconductor nanostructure environment as long-lived, high-fidelity quantum memory. In particular, we calculate, in the limit of a strong applied magnetic field, the fidelity versus time of P donor nuclear spins in random bath environments of Si and GaAs, and the lifetime of excited intrinsic spins in polarized Si and GaAs environments. In the former situation, the nuclear spin dephases due to spectral diffusion induced by the dipolar interaction among nuclei in the bath. We calculate the decay of nuclear spin quantum memory in the context of Hahn and Carr-Purcell-Meiboom-Gill (CPMG) refocused spin echoes using a formally exact cluster expansion technique which has previously been successful in dealing with electron spin dephasing in a solid state nuclear spin bath. With decoherence dominated by transverse dephasing (T2), we find it feasible to maintain high fidelity (losses of less than 10^{-6}) quantum memory on nuclear spins for times of the order of 100 microseconds (GaAs:P) and 1 to 2 milliseconds (natural Si:P) using CPMG pulse sequences of just a few (~2-4) applied pulses. We also consider the complementary situation of a central flipped intrinsic nuclear spin in a bath of completely polarized nuclear spins where decoherence is caused by the direct flip-flop of the central spin with spins in the bath. Exact numerical calculations that include a sufficiently large neighborhood of surrounding nuclei show lifetimes on the order of 1-5 ms for both GaAs and natural Si. Our calculated nuclear spin coherence times may have significance for solid state quantum computer architectures using localized electron spins in semiconductors where nuclear spins have been proposed for quantum memory storage.
Coherence and Control of Quantum Registers Based on Electronic Spin in a Nuclear Spin Bath
Hodges, Jonathan S.
We consider a protocol for the control of few-qubit registers comprising one electronic spin embedded in a nuclear spin bath. We show how to isolate a few proximal nuclear spins from the rest of the bath and use them as ...
Qubit Protection in Nuclear-Spin Quantum Dot Memories
Taylor, J. M.
We present a mechanism to protect quantum information stored in an ensemble of nuclear spins in a semiconductor quantum dot. When the dot is charged the nuclei interact with the spin of the excess electron through the ...
Coherent Control of a Single 29Si Nuclear Spin Qubit
NASA Astrophysics Data System (ADS)
Pla, Jarryd J.; Mohiyaddin, Fahd A.; Tan, Kuan Y.; Dehollain, Juan P.; Rahman, Rajib; Klimeck, Gerhard; Jamieson, David N.; Dzurak, Andrew S.; Morello, Andrea
2014-12-01
Magnetic fluctuations caused by the nuclear spins of a host crystal are often the leading source of decoherence for many types of solid-state spin qubit. In group-IV semiconductor materials, the spin-bearing nuclei are sufficiently rare that it is possible to identify and control individual host nuclear spins. This Letter presents the first experimental detection and manipulation of a single 29Si nuclear spin. The quantum nondemolition single-shot readout of the spin is demonstrated, and a Hahn echo measurement reveals a coherence time of T2=6.3 (7 ) ms —in excellent agreement with bulk experiments. Atomistic modeling combined with extracted experimental parameters provides possible lattice sites for the 29Si atom under investigation. These results demonstrate that single 29Si nuclear spins could serve as a valuable resource in a silicon spin-based quantum computer.
Uncovering many-body correlations in nanoscale nuclear spin baths by central spin decoherence
Ma, Wen-Long; Wolfowicz, Gary; Zhao, Nan; Li, Shu-Shen; Morton, John J.L.; Liu, Ren-Bao
2014-01-01
Central spin decoherence caused by nuclear spin baths is often a critical issue in various quantum computing schemes, and it has also been used for sensing single-nuclear spins. Recent theoretical studies suggest that central spin decoherence can act as a probe of many-body physics in spin baths; however, identification and detection of many-body correlations of nuclear spins in nanoscale systems are highly challenging. Here, taking a phosphorus donor electron spin in a 29Si nuclear spin bath as our model system, we discover both theoretically and experimentally that many-body correlations in nanoscale nuclear spin baths produce identifiable signatures in decoherence of the central spin under multiple-pulse dynamical decoupling control. We demonstrate that under control by an odd or even number of pulses, the central spin decoherence is principally caused by second- or fourth-order nuclear spin correlations, respectively. This study marks an important step toward studying many-body physics using spin qubits. PMID:25205440
State Preparation and Metrology of Nitrogen Nuclear Spin in Diamond
NASA Astrophysics Data System (ADS)
Bang, Kilhyun
A negatively-charged nitrogen-vacancy (NV) center in diamond is a promising system for quantum computation and quantum information. It has the diamond structure with a substitutional nitrogen atom and a neighboring vacancy. An electron spin in the NV center has an exceptionally long coherence time at room temperature. Thus the NV center has a potential to realize a room-temperature quantum computer which is more efficient than a classical computer. In this dissertation, we focus on the nitrogen nuclear spin as well as the electron spin in the NV center. Every NV center has the nitrogen nuclear spin. Because of the long coherence time of the nitrogen nuclear spin, it is a good candidate for a quantum memory. Thus it is important to prepare the nitrogen nuclear spin qubit in a given pure state for quantum computation. We provide a theoretical understanding of the popular nuclear spin initialization technique. Furthermore, we propose an optimal condition for the initialization of the nitrogen nuclear spin by including the local strain in the NV center. We expect that this optimal condition can improve the purity of the nuclear spin initialization. We also propose an efficient quantum measurement protocol for the hyperfine interaction between the electron spin and the 15 N nuclear spin in the NV center. A precise knowledge of the hyperfine interaction is important to reduce an error in a coherent control of the 15N nuclear spin. In this protocol, a sequence of quantum operations with successively increasing duration is utilized to estimate the hyperfine interaction with successively higher precision approaching the quantum metrology limit. Unlike common quantum metrological methods, this protocol does not need the preparation of the nuclear spin in a pure state. In the presence of realistic operation errors and electron spin decoherence, we show the overall precision of our protocol still surpasses the standard quantum limit.
Robust control of individual nuclear spins in diamond
Benjamin Smeltzer; Jean McIntyre; Lilian Childress
2009-09-22
Isolated nuclear spins offer a promising building block for quantum information processing systems, but their weak interactions often impede preparation, control, and detection. Hyperfine coupling to a proximal electronic spin can enhance each of these processes. Using the electronic spin of the nitrogen-vacancy center as an intermediary, we demonstrate robust initialization, single-qubit manipulation, and direct optical readout of 13C, 15N, and 14N nuclear spins in diamond. These results pave the way for nitrogen nuclear spin based quantum information architectures in diamond.
Electron spin dephasing due to hyperfine interactions with a nuclear spin bath.
Cywi?ski, Lukasz; Witzel, Wayne M; Das Sarma, S
2009-02-01
We investigate pure dephasing decoherence (free induction decay and spin echo) of a spin qubit interacting with a nuclear spin bath. While for infinite magnetic field B the only decoherence mechanism is spectral diffusion due to dipolar flip-flops of nuclear spins, with decreasing B the hyperfine-mediated interactions between the nuclear spins become important. We give a theory of decoherence due to these interactions which takes advantage of their long-range nature. For a thermal uncorrelated bath we show that our theory is applicable down to B approximately 10 mT, allowing for comparison with recent experiments in GaAs quantum dots. PMID:19257553
Decoherence of nuclear spins in the "frozen core" of an electron spin
R. Guichard; S. J. Balian; G. Wolfowicz; P. A. Mortemousque; T. S. Monteiro
2015-05-13
Hybrid qubit systems combining electronic spins with nearby ("proximate") nuclear spin registers offer a promising avenue towards quantum information processing, with even multi-spin error correction protocols recently demonstrated in diamond. However, for the important platform offered by spins of donor atoms in cryogenically-cooled silicon,decoherence mechanisms of $^{29}$Si proximate nuclear spins are not yet well understood.The reason is partly because proximate spins lie within a so-called "frozen core" region where the donor electronic hyperfine interaction strongly suppresses nuclear dynamics. We investigate the decoherence of a central proximate nuclear qubit arising from quantum spin baths outside, as well as inside, the frozen core around the donor electron. We consider the effect of a very large nuclear spin bath comprising many ($\\gtrsim 10^8$) weakly contributing pairs outside the frozen core. We also propose that there may be an important contribution from a few (of order $100$) symmetrically sited nuclear spin pairs ("equivalent pairs"), which were not previously considered as their effect is negligible outside the frozen core. If equivalent pairs represent a measurable source of decoherence, nuclear coherence decays could provide sensitive probes of the symmetries of electronic wavefunctions. For the phosphorus donor system, we obtain $T_{2n}$ values of order 1 second for both the "far bath" and "equivalent pair" models, confirming the suitability of proximate nuclei in silicon as very long-lived spin qubits.
Nuclear magnetometry studies of spin dynamics in quantum Hall systems
NASA Astrophysics Data System (ADS)
Fauzi, M. H.; Watanabe, S.; Hirayama, Y.
2014-12-01
We performed a nuclear magnetometry study on quantum Hall ferromagnet with a bilayer total filling factor of ?tot=2 . We found not only a rapid nuclear relaxation but also a sudden change in the nuclear-spin polarization distribution after a one-second interaction with a canted antiferromagnetic phase. We discuss the possibility of observing cooperative phenomena coming from nuclear-spin ensemble triggered by hyperfine interaction in quantum Hall system.
Nuclear-spin optical rotation in xenon
NASA Astrophysics Data System (ADS)
Savukov, I.
2015-10-01
The nuclear-spin optical rotation (NSOR) effect, which has potential applications in correlated nuclear-spin-resonance optical spectroscopy, has previously been explored experimentally and theoretically in liquid Xe. Calculations of the Xe NSOR constant are very challenging because the result is sensitive to correlations, relativistic effects, and the choice of basis, with strong cancellation between contributions from lowest and remaining states. The relativistic configuration-interaction many-body-theory approach, presented here, is promising because this approach has been successful in predicting various properties of noble-gas atoms, such as energies, oscillator strengths (OSs), Verdet constants, and photoionization cross sections. However, correlations become stronger along the sequence of noble-gas atoms and the theoretical accuracy in Xe is not as high as, for example, in neon and argon. To improve the accuracy of the Xe Verdet and NSOR constants, which are calculated as explicit sums over the excited states, theoretical values for the several lowest levels are replaced with empirical values of energies, OSs, and hyperfine structure constants. We found that the Xe Verdet constant is in excellent agreement with accurate measurements. To take into account liquid effects, empirical data for energy shifts were also used to correct the NSOR constant. The resulting Xe NSOR constant is in a good agreement with experiment, although the liquid-state effect is treated quite approximately.
Time-optimal polarization transfer from an electron spin to a nuclear spin
NASA Astrophysics Data System (ADS)
Yuan, Haidong; Zeier, Robert; Pomplun, Nikolas; Glaser, Steffen J.; Khaneja, Navin
2015-11-01
Polarization transfers from an electron spin to a nuclear spin are essential for various physical tasks, such as dynamic nuclear polarization in nuclear magnetic resonance and quantum information processing on hybrid electron-nuclear spin systems. We present time-optimal schemes for electron-nuclear polarization transfers which improve on conventional approaches, and we thereby establish an important class of faster controls. We highlight how time-optimal polarization transfers and their optimality are related to the time optimality of unitary transformations. Moreover, our work develops generally applicable analytic methods for analyzing the limits in controlling quantum systems.
Squeezing and entangling nuclear spins in helium 3
Gael Reinaudi; Alice Sinatra; Aurelien Dantan; Michel Pinard
2006-01-09
We present a realistic model for transferring the squeezing or the entanglement of optical field modes to the collective ground state nuclear spin of $^3$He using metastability exchange collisions. We discuss in detail the requirements for obtaining good quantum state transfer efficiency and study the possibility to readout the nuclear spin state optically.
NUCLEAR SPIN ISOSPIN RESPONSES FOR LOW-ENERGY NEUTRINOS
Washington at Seattle, University of
NUCLEAR SPIN ISOSPIN RESPONSES FOR LOW-ENERGY NEUTRINOS Hiroyasu EJIRI Nuclear Physics Laboratory-energy neutrinos Hiroyasu Ejiri Nuclear Physics Laboratory and Department of Physics, University of Washington.1. Neutrinos in astroparticle physics and neutrino studies in nuclei 268 1.2. Nuclear responses for neutrinos
NASA Technical Reports Server (NTRS)
Lee, Seungwon; vonAllmen, Paul; Oyafuso, Fabiano; Klimeck, Gerhard; Whale, K. Birgitta
2004-01-01
Electron spin dephasing and decoherence by its interaction with nuclear spins in self-assembled quantum dots are investigated in the framework of the empirical tight-binding model. Electron spin dephasing in an ensemble of dots is induced by the inhomogeneous precession frequencies of the electron among dots, while electron spin decoherence in a single dot arises from the inhomogeneous precession frequencies of nuclear spins in the dot. For In(x)Ga(1-x) As self-assembled dots containing 30000 nuclei, the dephasing and decoherence times are predicted to be on the order of 100 ps and 1 (micro)s.
NASA Astrophysics Data System (ADS)
Yoneda, J.; Otsuka, T.; Nakajima, T.; Takakura, T.; Obata, T.; Pioro-Ladrière, M.; Lu, H.; Palmstrøm, C. J.; Gossard, A. C.; Tarucha, S.
2014-12-01
We demonstrate fast universal electrical spin manipulation with inhomogeneous magnetic fields. With fast Rabi frequency up to 127 MHz, we leave the conventional regime of strong nuclear-spin influence and observe a spin-flip fidelity >96 % , a distinct chevron Rabi pattern in the spectral-time domain, and a spin resonance linewidth limited by the Rabi frequency, not by the dephasing rate. In addition, we establish fast z rotations up to 54 MHz by directly controlling the spin phase. Our findings will significantly facilitate tomography and error correction with electron spins in quantum dots.
Room temperature hyperpolarization of nuclear spins in bulk
Tateishi, Kenichiro; Negoro, Makoto; Nishida, Shinsuke; Kagawa, Akinori; Morita, Yasushi; Kitagawa, Masahiro
2014-01-01
Dynamic nuclear polarization (DNP), a means of transferring spin polarization from electrons to nuclei, can enhance the nuclear spin polarization (hence the NMR sensitivity) in bulk materials at most 660 times for 1H spins, using electron spins in thermal equilibrium as polarizing agents. By using electron spins in photo-excited triplet states instead, DNP can overcome the above limit. We demonstrate a 1H spin polarization of 34%, which gives an enhancement factor of 250,000 in 0.40 T, while maintaining a bulk sample (?0.6 mg, ?0.7 × 0.7 × 1 mm3) containing >1019 1H spins at room temperature. Room temperature hyperpolarization achieved with DNP using photo-excited triplet electrons has potentials to be applied to a wide range of fields, including NMR spectroscopy and MRI as well as fundamental physics. PMID:24821773
Dynamical nuclear spin polarization in a double quantum dot
NASA Astrophysics Data System (ADS)
Ramon, Guy; Deng, Changxue; Hu, Xuedong
2006-03-01
The hyperfine interaction between an electron spin confined in a semiconductor quantum dot and the nuclear spins in the surrounding lattice has been identified as one of the main sources for decoherence in low temperature GaAs quantum dots. Recent experiments in gated double dot systems [1] have attempted to utilize the degeneracy point between the two-electron singlet and polarized triplet states to polarize the nuclear spins, thereby reducing their decoherence effects on the electron spins. Here we analyze the dynamics of the system of two electrons and a nuclear spin bath subject to the hyperfine interaction. We consider the effective spin Hamiltonian for the two-electron system, and represent the nuclear spins in the basis of their collective states. The nuclear polarization rates are evaluated for various initial conditions of the nuclear spin system, and optimal conditions for efficient polarization are discussed. [1] J. R. Petta, A. C. Johnson, J. M. Taylor, E. A. Laird, A. Yacoby, M. D. Lukin, C. M. Marcus, M. P. Hanson, A. C. Gossard, Science 309, 2180 (2005).
Sensitive Magnetic Control of Ensemble Nuclear Spin Hyperpolarisation in Diamond
Wang, Hai-Jing; Avalos, Claudia E; Seltzer, Scott J; Budker, Dmitry; Pines, Alexander; Bajaj, Vikram S
2012-01-01
Dynamic nuclear polarisation, which transfers the spin polarisation of electrons to nuclei, is routinely applied to enhance the sensitivity of nuclear magnetic resonance; it is also critical in spintronics, particularly when spin hyperpolarisation can be produced and controlled optically or electrically. Here we show the complete polarisation of nuclei located near the optically-polarised nitrogen-vacancy (NV) centre in diamond. When approaching the ground-state level anti-crossing condition of the NV electron spins, 13C nuclei in the first-shell are polarised in a pattern that depends sensitively and sharply upon the magnetic field. Based on the anisotropy of the hyperfine coupling and of the optical polarisation mechanism, we predict and observe a complete reversal of the nuclear spin polarisation with a few-mT change in the magnetic field. The demonstrated sensitive magnetic control of nuclear polarisation at room temperature will be useful for sensitivity-enhanced NMR, nuclear-based spintronics, and quant...
Nuclear spin interferences in bulk water at room temperature
Grucker, Jules; Belaga, Edward; Baudon, Jacques; Grucker, Daniel
2007-01-01
Nuclear spin interference effects generated in a macroscopic sample of 10ml degassed water are detected in a simple NMR experiment. A \\pi/2 - \\tau - \\pi/2 RF double pulse sequence (Ramsey sequence) is applied to the water sample immersed in a static magnetic field B0 " 4.7T. For a homogeneity of B0 of the order of \\Delta B0/B0 = 2 . 10^{-8}, the nuclear spin interference term is controlled with a maximum relative deviation of 9.7 %. These results are a first step to manipulation of nuclear spin coherence of water molecules.
Spin-Orbit Interaction of Nuclear Shell Structure
Xiaobin Wang; Zhengda Wang; Xiaochun Wang; Xiaodong Zhang
2012-02-29
Single particle spin-orbit interaction energy problem in nuclear shell structure is solved through negative harmonic oscillator in the self-similar-structure shell model (SSM) [4] and considering quarks' contributions on single particle spin and orbit momentum. The paper demonstrates that single particle motion in normal nuclei is described better by SSM negative harmonic oscillator than conventional shell model positive harmonic oscillator[1][2][3]. The proposed theoretical formula for spin orbit interaction energy agrees well to experiment measurements.
Nuclear magnetic resonance spectroscopy with single spin sensitivity
Müller, C.; Kong, X.; Cai, J.-M.; Melentijevi?, K.; Stacey, A.; Markham, M.; Twitchen, D.; Isoya, J.; Pezzagna, S.; Meijer, J.; Du, J. F.; Plenio, M. B.; Naydenov, B.; McGuinness, L. P.; Jelezko, F.
2014-01-01
Nuclear magnetic resonance spectroscopy and magnetic resonance imaging at the ultimate sensitivity limit of single molecules or single nuclear spins requires fundamentally new detection strategies. The strong coupling regime, when interaction between sensor and sample spins dominates all other interactions, is one such strategy. In this regime, classically forbidden detection of completely unpolarized nuclei is allowed, going beyond statistical fluctuations in magnetization. Here we realize strong coupling between an atomic (nitrogen–vacancy) sensor and sample nuclei to perform nuclear magnetic resonance on four 29Si spins. We exploit the field gradient created by the diamond atomic sensor, in concert with compressed sensing, to realize imaging protocols, enabling individual nuclei to be located with Angstrom precision. The achieved signal-to-noise ratio under ambient conditions allows single nuclear spin sensitivity to be achieved within seconds. PMID:25146503
Optical hyperpolarization of 13C nuclear spins in nanodiamond ensembles
Q. Chen; I. Schwarz; F. Jelezko; A. Retzker; M. B. Plenio
2015-04-09
Here we propose and analyse in detail protocols that can achieve rapid hyperpolarization of 13C nuclear spins in randomly oriented ensembles of nanodiamonds at room temperature. Our protocols exploit a combination of optical polarization of electron spins in nitrogen-vacancy centers and the transfer of this polarization to 13C nuclei by means of microwave control to overcome the severe challenges that are posed by the random orientation of the nanodiamonds and their nitrogen-vacancy centers. Specifically, these random orientations result in exceedingly large energy variations of the electron spin levels that render the polarization and coherent control of the nitrogen-vacancy center electron spins as well as the control of their coherent interaction with the surrounding 13C nuclear spins highly inefficient. We address these challenges by a combination of an off-resonant microwave double resonance scheme in conjunction with a realization of the integrated solid effect which, together with adiabatic rotations of external magnetic fields or rotations of nanodiamonds, leads to a protocol that achieves high levels of hyperpolarization of the entire nuclear-spin bath in a randomly oriented ensemble of nanodiamonds even at room temperature. This hyperpolarization together with the long nuclear spin polarization lifetimes in nanodiamonds and the relatively high density of 13C nuclei has the potential to result in a major signal enhancement in 13C nuclear magnetic resonance imaging and suggests functionalized and hyperpolarized nanodiamonds as a unique probe for molecular imaging both in vitro and in vivo.
Nuclear Spins in a Nanoscale Device for Quantum Information Processing
S. K. Ozdemir; A. Miranowicz; T. Ota; G. Yusa; N. Imoto; Y. Hirayama
2006-12-29
Coherent oscillations between any two levels from four nuclear spin states of I=3/2 have been demonstrated in a nanometre-scale NMR semiconductor device, where nuclear spins are all-electrically controlled. Using this device, we discuss quantum logic operations on two fictitious qubits of the I=3/2 system, and propose a quantum state tomography scheme based on the measurement of longitudinal magnetization, $M_z$.
Electronic read-out of a single nuclear spin using a molecular spin transistor
NASA Astrophysics Data System (ADS)
Balestro, Franck
2013-03-01
Thanks to recent advances of nanofabrication techniques, molecular electronics devices can address today the ultimate probing of electronic transport flowing through a single molecule. Not only this electronic current can show signatures of the molecular quantum levels but it can also detect the magnetic state of the molecule. As a consequence, an entirely novel research field called molecular spintronics in which quantum magnetism of molecular systems can be interfaced to nanoelectronics is now emerging. One of the recent challenges of this field was to probe by this current, not the only spin state of an electron, but the state of a single nuclear spin. Such an achievement was experimentally unimaginable a few years ago. Indeed, the magnetic signal carried by a single nuclear spin is a thousand times less than that of a single electron spin... Using a Single Molecular Magnet (TbPc2) as a molecular spin transistor in a three terminals configuration, the experiment consists in measuring the current changes when ones sweep the external magnetic field applied to the molecule. When the magnetic spin of the molecule changes its quantum state, a change of current is recorded. Because of the well-defined relationship that exists between the electron spin and nuclear spin carried by the nuclei of the Terbium atom, it is possible to perform the electronic read-out of the electronic spin state which, in turn give information on the state of a single nuclear spin. Application of this effect for quantum information manipulation and storage can be envisioned, as the observation of energy level lifetimes on the order of tens of seconds opens the way to coherent manipulations of a single nuclear spin. In collaboration with R. Vincent, Neel Institut - CNRS - UJF; S. Klyatskaya, Institut of Nanotechnology - KIT; M. Ruben, Institut of Nanotechnology - KIT; and W. Wernsdorfer, Neel Institut - CNRS - UJF.
Transistor S. Thiele,1 R. Vincent,1 M. Holzmann,2 S. Klyatskaya,3 M. Ruben,3,4 F. Balestro,1 and W nuclear spin. The device, a TbPc2 single-molecule magnet spin transistor, detects the four different suggests that the relaxation times are limited by the current tunneling through the transistor, which opens
The Hyperfine-mediated and Nuclear-Dipolar-Induced Nuclear Spin
NASA Astrophysics Data System (ADS)
Yusuf, Eddy; Hu, Xuedong
2009-03-01
We study nuclear spin diffusion in semiconductor quantum dots based on the density matrix approach. The nuclear spin interactions that we consider include both hyperfine-mediated and magnetic dipolar interactions. Furthermore, we take into account both the secular and the non-secular terms of the magnetic dipolar nuclear interactions. We discuss how the one- and two-electronic states in the quantum dots lead to quantitatively different nuclear spin polarization relaxation and nuclear spin diffusion time. We explore the behavior of the relaxation time and diffusion constant for various experimentally relevant parameters, and compare our results to the recently measured nuclear spin relaxation in GaAs double quantum dots [1]. [3pt] [1] D. J. Reilly, J. M. Taylor, J. R. Petta, C. M. Marcus, M. P. Hanson, and A. C. Gossard, arXiv:0803.3082
Nuclear spin qubits in a trapped-ion quantum computer
M. Feng; Y. Y. Xu; F. Zhou; D. Suter
2009-04-26
Physical systems must fulfill a number of conditions to qualify as useful quantum bits (qubits) for quantum information processing, including ease of manipulation, long decoherence times, and high fidelity readout operations. Since these conditions are hard to satisfy with a single system, it may be necessary to combine different degrees of freedom. Here we discuss a possible system, based on electronic and nuclear spin degrees of freedom in trapped ions. The nuclear spin yields long decoherence times, while the electronic spin, in a magnetic field gradient, provides efficient manipulation, and the optical transitions of the ions assure a selective and efficient initialization and readout.
Robust Dynamical Decoupling Sequences for Individual Nuclear Spin Addressing
J. Casanova; Z. -Y. Wang; J. F. Haase; M. B. Plenio
2015-10-10
We propose the use of non-equally spaced decoupling pulses for high-resolution selective addressing of nuclear spins by a quantum sensor. The analytical model of the basic operating principle is supplemented by detailed numerical studies that demonstrate the high degree of selectivity and the robustness against static and dynamic control field errors of this scheme. We exemplify our protocol with an NV center-based sensor to demonstrate that it enables the identification of individual nuclear spins that form part of a large spin ensemble.
Robust dynamical decoupling sequences for individual-nuclear-spin addressing
NASA Astrophysics Data System (ADS)
Casanova, J.; Wang, Z.-Y.; Haase, J. F.; Plenio, M. B.
2015-10-01
We propose the use of non-equally-spaced decoupling pulses for high-resolution selective addressing of nuclear spins by a quantum sensor. The analytical model of the basic operating principle is supplemented by detailed numerical studies that demonstrate the high degree of selectivity and the robustness against static and dynamic control-field errors of this scheme. We exemplify our protocol with a nitrogen-vacancy-center-based sensor to demonstrate that it enables the identification of individual nuclear spins that form part of a large spin ensemble.
International conference on spin observables of nuclear probes: Summary talk
Garvey, G.T.
1988-01-01
A selected summary of the presentation and discussions at the 4th Telluride Conference is presented. The summary deals mainly with the effects of nuclear spin and isospin on the interaction between nucleons and their consequences in nuclear structure. 11 figs.
Spin density matrices for nuclear density functionals with parity violations
B. R. Barrett; B. G. Giraud
2010-04-26
The spin density matrix (SDM) used in atomic and molecular physics is revisited for nuclear physics, in the context of the radial density functional theory. The vector part of the SDM defines a "hedgehog" situation, which exists only if nuclear states contain some amount of parity violation.
Highly selective detection of individual nuclear spins with rotary echo on an electron spin probe
Mkhitaryan, V. V.; Jelezko, F.; Dobrovitski, V. V.
2015-10-26
We consider an electronic spin, such as a nitrogen-vacancy center in diamond, weakly coupled to a large number of nuclear spins, and subjected to the Rabi driving with a periodically alternating phase. We show that by switching the driving phase synchronously with the precession of a given nuclear spin, the interaction to this spin is selectively enhanced, while the rest of the bath remains decoupled. The enhancement is of resonant character. The key feature of the suggested scheme is that the width of the resonance is adjustable, and can be greatly decreased by increasing the driving strength. Thus, the resonance can be significantly narrowed, by a factor of 10–100 in comparison with the existing detection methods. Significant improvement in selectivity is explained analytically and confirmed by direct numerical many-spin simulations. As a result, the method can be applied to a wide range of solid-state systems.
Highly selective detection of individual nuclear spins with rotary echo on an electron spin probe
Mkhitaryan, V. V.; Jelezko, F.; Dobrovitski, V. V.
2015-01-01
We consider an electronic spin, such as a nitrogen-vacancy center in diamond, weakly coupled to a large number of nuclear spins, and subjected to the Rabi driving with a periodically alternating phase. We show that by switching the driving phase synchronously with the precession of a given nuclear spin, the interaction to this spin is selectively enhanced, while the rest of the bath remains decoupled. The enhancement is of resonant character. The key feature of the suggested scheme is that the width of the resonance is adjustable, and can be greatly decreased by increasing the driving strength. Thus, the resonance can be significantly narrowed, by a factor of 10–100 in comparison with the existing detection methods. Significant improvement in selectivity is explained analytically and confirmed by direct numerical many-spin simulations. The method can be applied to a wide range of solid-state systems. PMID:26497777
Highly selective detection of individual nuclear spins with rotary echo on an electron spin probe
Mkhitaryan, V. V.; Jelezko, F.; Dobrovitski, V. V.
2015-10-26
We consider an electronic spin, such as a nitrogen-vacancy center in diamond, weakly coupled to a large number of nuclear spins, and subjected to the Rabi driving with a periodically alternating phase. We show that by switching the driving phase synchronously with the precession of a given nuclear spin, the interaction to this spin is selectively enhanced, while the rest of the bath remains decoupled. The enhancement is of resonant character. The key feature of the suggested scheme is that the width of the resonance is adjustable, and can be greatly decreased by increasing the driving strength. Thus, the resonancemore »can be significantly narrowed, by a factor of 10–100 in comparison with the existing detection methods. Significant improvement in selectivity is explained analytically and confirmed by direct numerical many-spin simulations. As a result, the method can be applied to a wide range of solid-state systems.« less
Highly selective detection of individual nuclear spins with rotary echo on an electron spin probe.
Mkhitaryan, V V; Jelezko, F; Dobrovitski, V V
2015-01-01
We consider an electronic spin, such as a nitrogen-vacancy center in diamond, weakly coupled to a large number of nuclear spins, and subjected to the Rabi driving with a periodically alternating phase. We show that by switching the driving phase synchronously with the precession of a given nuclear spin, the interaction to this spin is selectively enhanced, while the rest of the bath remains decoupled. The enhancement is of resonant character. The key feature of the suggested scheme is that the width of the resonance is adjustable, and can be greatly decreased by increasing the driving strength. Thus, the resonance can be significantly narrowed, by a factor of 10-100 in comparison with the existing detection methods. Significant improvement in selectivity is explained analytically and confirmed by direct numerical many-spin simulations. The method can be applied to a wide range of solid-state systems. PMID:26497777
Spin polarized states in strongly asymmetric nuclear matter
A. A. Isayev; J. Yang
2004-01-06
In the framework of a Fermi liquid theory it is considered the possibility of appearance of spin polarized states in strongly asymmetric nuclear matter with Skyrme effective interaction. The zero temperature dependence of neutron and proton spin polarization parameters as functions of density is found for SLy4, SLy5 effective forces. It is shown that at some critical density it will be formed the state with the oppositely directed spins of neutrons and protons, while the state with the same direction of spins does not appear. In comparison with neutron matter, even small admixture of protons strongly decreases the threshold density of spin instability. It is clarified that protons become totally polarized within very narrow density domain while in the density profile of neutron spin polarization parameter their appear long tails near the transition density.
Optical hyperpolarization of 13C nuclear spins in nanodiamond ensembles
NASA Astrophysics Data System (ADS)
Chen, Q.; Schwarz, I.; Jelezko, F.; Retzker, A.; Plenio, M. B.
2015-11-01
Dynamical nuclear polarization holds the key for orders of magnitude enhancements of nuclear magnetic resonance signals which, in turn, would enable a wide range of novel applications in biomedical sciences. However, current implementations of DNP require cryogenic temperatures and long times for achieving high polarization. Here we propose and analyze in detail protocols that can achieve rapid hyperpolarization of 13C nuclear spins in randomly oriented ensembles of nanodiamonds at room temperature. Our protocols exploit a combination of optical polarization of electron spins in nitrogen-vacancy centers and the transfer of this polarization to 13C nuclei by means of microwave control to overcome the severe challenges that are posed by the random orientation of the nanodiamonds and their nitrogen-vacancy centers. Specifically, these random orientations result in exceedingly large energy variations of the electron spin levels that render the polarization and coherent control of the nitrogen-vacancy center electron spins as well as the control of their coherent interaction with the surrounding 13C nuclear spins highly inefficient. We address these challenges by a combination of an off-resonant microwave double resonance scheme in conjunction with a realization of the integrated solid effect which, together with adiabatic rotations of external magnetic fields or rotations of nanodiamonds, leads to a protocol that achieves high levels of hyperpolarization of the entire nuclear-spin bath in a randomly oriented ensemble of nanodiamonds even at room temperature. This hyperpolarization together with the long nuclear-spin polarization lifetimes in nanodiamonds and the relatively high density of 13C nuclei has the potential to result in a major signal enhancement in 13C nuclear magnetic resonance imaging and suggests functionalized and hyperpolarized nanodiamonds as a unique probe for molecular imaging both in vitro and in vivo.
Nuclear spin relaxation probed by a single quantum dot A. K. Huttel,1
Ludwig-Maximilians-Universität, München
Nuclear spin relaxation probed by a single quantum dot A. K. Hu¨ttel,1 J. Weber,1 A. W. Holleitner February 2004 We present measurements on nuclear spin relaxation probed by a single quantum dot formed the electronic to the nuclear spin system. Applying electron spin resonance, the transfer mechanism is suppressed
Calculation of nuclear spin-spin coupling constants using frozen density embedding
Götz, Andreas W.; Autschbach, Jochen; Visscher, Lucas
2014-03-14
We present a method for a subsystem-based calculation of indirect nuclear spin-spin coupling tensors within the framework of current-spin-density-functional theory. Our approach is based on the frozen-density embedding scheme within density-functional theory and extends a previously reported subsystem-based approach for the calculation of nuclear magnetic resonance shielding tensors to magnetic fields which couple not only to orbital but also spin degrees of freedom. This leads to a formulation in which the electron density, the induced paramagnetic current, and the induced spin-magnetization density are calculated separately for the individual subsystems. This is particularly useful for the inclusion of environmental effects in the calculation of nuclear spin-spin coupling constants. Neglecting the induced paramagnetic current and spin-magnetization density in the environment due to the magnetic moments of the coupled nuclei leads to a very efficient method in which the computationally expensive response calculation has to be performed only for the subsystem of interest. We show that this approach leads to very good results for the calculation of solvent-induced shifts of nuclear spin-spin coupling constants in hydrogen-bonded systems. Also for systems with stronger interactions, frozen-density embedding performs remarkably well, given the approximate nature of currently available functionals for the non-additive kinetic energy. As an example we show results for methylmercury halides which exhibit an exceptionally large shift of the one-bond coupling constants between {sup 199}Hg and {sup 13}C upon coordination of dimethylsulfoxide solvent molecules.
Competition of ferromagnetic and antiferromagnetic spin ordering in nuclear matter
A. A. Isayev
2003-01-31
In the framework of a Fermi liquid theory it is considered the possibility of ferromagnetic and antiferromagnetic phase transitions in symmetric nuclear matter with Skyrme effective interaction. The zero temperature dependence of ferromagnetic and antiferromagnetic spin polarization parameters as functions of density is found for SkM$^*$, SGII effective forces. It is shown that in the density domain, where both type of solutions of self--consistent equations exist, ferromagnetic spin state is more preferable than antiferromagnetic one.
Combustion resistance of the 129Xe hyperpolarized nuclear spin state.
Stupic, Karl F; Six, Joseph S; Olsen, Michael D; Pavlovskaya, Galina E; Meersmann, Thomas
2013-01-01
Using a methane-xenon mixture for spin exchange optical pumping, MRI of combustion was enabled. The (129)Xe hyperpolarized nuclear spin state was found to sufficiently survive the complete passage through the harsh environment of the reaction zone. A velocity profile (V(z)(z)) of a flame was recorded to demonstrate the feasibility of MRI velocimetry of transport processes in combustors. PMID:23165418
Imaging mesoscopic nuclear spin noise with a diamond magnetometer
C. A. Meriles; L. Jiang; G. Goldstein; J. S. Hodges; J. R. Maze; M. D. Lukin; P. Cappellaro
2010-04-30
Magnetic Resonance Imaging (MRI) can characterize and discriminate among tissues using their diverse physical and biochemical properties. Unfortunately, submicrometer screening of biological specimens is presently not possible, mainly due to lack of detection sensitivity. Here we analyze the use of a nitrogen-vacancy center in diamond as a magnetic sensor for nanoscale nuclear spin imaging and spectroscopy. We examine the ability of such a sensor to probe the fluctuations of the "classical" dipolar field due to a large number of neighboring nuclear spins in a densely protonated sample. We identify detection protocols that appropriately take into account the quantum character of the sensor and find a signal-to-noise ratio compatible with realistic experimental parameters. Through various example calculations we illustrate different kinds of image contrast. In particular, we show how to exploit the comparatively long nuclear spin correlation times to reconstruct a local, high-resolution sample spectrum.
Quantum and classical correlations in electron-nuclear spin echo
Zobov, V. E.
2014-11-15
The quantum properties of dynamic correlations in a system of an electron spin surrounded by nuclear spins under the conditions of free induction decay and electron spin echo have been studied. Analytical results for the time evolution of mutual information, classical part of correlations, and quantum part characterized by quantum discord have been obtained within the central-spin model in the high-temperature approximation. The same formulas describe discord in both free induction decay and spin echo although the time and magnetic field dependences are different because of difference in the parameters entering into the formulas. Changes in discord in the presence of the nuclear polarization ?{sub I} in addition to the electron polarization ?{sub S} have been calculated. It has been shown that the method of reduction of the density matrix to a two-spin electron-nuclear system provides a qualitatively correct description of pair correlations playing the main role at ?{sub S} ? ?{sub I} and small times. At large times, such correlations decay and multispin correlations ensuring nonzero mutual information and zero quantum discord become dominant.
Theoretical aspects of Magic Angle Spinning - Dynamic Nuclear Polarization
NASA Astrophysics Data System (ADS)
Mentink-Vigier, Frederic; Akbey, Ümit; Oschkinat, Hartmut; Vega, Shimon; Feintuch, Akiva
2015-09-01
Magic Angle Spinning (MAS) combined with Dynamic Nuclear Polarization (DNP) has been proven in recent years to be a very powerful method for increasing solid-state NMR signals. Since the advent of biradicals such as TOTAPOL to increase the nuclear polarization new classes of radicals, with larger molecular weight and/or different spin properties have been developed. These have led to unprecedented signal gain, with varying results for different experimental parameters, in particular the microwave irradiation strength, the static field, and the spinning frequency. Recently it has been demonstrated that sample spinning imposes DNP enhancement processes that differ from the active DNP mechanism in static samples as upon sample spinning the DNP enhancements are the results of energy level anticrossings occurring periodically during each rotor cycle. In this work we present experimental results with regards to the MAS frequency dependence of the DNP enhancement profiles of four nitroxide-based radicals at two different sets of temperature, 110 and 160 K. In fact, different magnitudes of reduction in enhancement are observed with increasing spinning frequency. Our simulation code for calculating MAS-DNP powder enhancements of small model spin systems has been improved to extend our studies of the influence of the interaction and relaxation parameters on powder enhancements. To achieve a better understanding we simulated the spin dynamics of a single three-spin system {ea -eb - n } during its steady state rotor periods and used the Landau-Zener formula to characterize the influence of the different anti-crossings on the polarizations of the system and their necessary action for reaching steady state conditions together with spin relaxation processes. Based on these model calculations we demonstrate that the maximum steady state nuclear polarization cannot become larger than the maximum polarization difference between the two electrons during the steady state rotor cycle. This study also shows the complexity of the MAS-DNP process and therefore the necessity to rely on numerical simulations for understanding parametric dependencies of the enhancements. Finally an extension of the spin system up to five spins allowed us to probe the first steps of the transfer of polarization from the nuclei coupled to the electrons to further away nuclei, demonstrating a decrease in the spin-diffusion barrier under MAS conditions.
Theoretical aspects of Magic Angle Spinning - Dynamic Nuclear Polarization.
Mentink-Vigier, Frederic; Akbey, Ümit; Oschkinat, Hartmut; Vega, Shimon; Feintuch, Akiva
2015-09-01
Magic Angle Spinning (MAS) combined with Dynamic Nuclear Polarization (DNP) has been proven in recent years to be a very powerful method for increasing solid-state NMR signals. Since the advent of biradicals such as TOTAPOL to increase the nuclear polarization new classes of radicals, with larger molecular weight and/or different spin properties have been developed. These have led to unprecedented signal gain, with varying results for different experimental parameters, in particular the microwave irradiation strength, the static field, and the spinning frequency. Recently it has been demonstrated that sample spinning imposes DNP enhancement processes that differ from the active DNP mechanism in static samples as upon sample spinning the DNP enhancements are the results of energy level anticrossings occurring periodically during each rotor cycle. In this work we present experimental results with regards to the MAS frequency dependence of the DNP enhancement profiles of four nitroxide-based radicals at two different sets of temperature, 110 and 160K. In fact, different magnitudes of reduction in enhancement are observed with increasing spinning frequency. Our simulation code for calculating MAS-DNP powder enhancements of small model spin systems has been improved to extend our studies of the influence of the interaction and relaxation parameters on powder enhancements. To achieve a better understanding we simulated the spin dynamics of a single three-spin system {ea-eb-n} during its steady state rotor periods and used the Landau-Zener formula to characterize the influence of the different anti-crossings on the polarizations of the system and their necessary action for reaching steady state conditions together with spin relaxation processes. Based on these model calculations we demonstrate that the maximum steady state nuclear polarization cannot become larger than the maximum polarization difference between the two electrons during the steady state rotor cycle. This study also shows the complexity of the MAS-DNP process and therefore the necessity to rely on numerical simulations for understanding parametric dependencies of the enhancements. Finally an extension of the spin system up to five spins allowed us to probe the first steps of the transfer of polarization from the nuclei coupled to the electrons to further away nuclei, demonstrating a decrease in the spin-diffusion barrier under MAS conditions. PMID:26232770
NASA Astrophysics Data System (ADS)
Dietl, Tomasz
2015-03-01
A physically transparent and mathematically simple semiclassical model is employed to examine dynamics in the central-spin problem. The results reproduce previous findings obtained by various quantum approaches and, at the same time, provide information on the electron spin dynamics and Berry's phase effects over a wider range of experimentally relevant parameters than available previously. This development is relevant to dynamics of bound magnetic polarons and spin dephasing of an electron trapped by an impurity or a quantum dot, and coupled by a contact interaction to neighboring localized magnetic impurities or nuclear spins. Furthermore, it substantiates the applicability of semiclassical models to simulate dynamic properties of spintronic nanostructures with a mesoscopic number of spins.
Quantum chaos and fluctuations in isolated nuclear-spin systems.
Ludlow, J A; Sushkov, O P
2007-01-01
Using numerical simulations we investigate dynamical quantum chaos in isolated nuclear spin systems. We determine the structure of quantum states, investigate the validity of the Curie law for magnetic susceptibility and find the spectrum of magnetic noise. The spectrum is the same for positive and negative temperatures. The study is motivated by recent interest in condensed-matter experiments for searches of fundamental parity- and time-reversal-invariance violations. In these experiments nuclear spins are cooled down to microkelvin temperatures and are completely decoupled from their surroundings. A limitation on statistical sensitivity of the experiments arises from the magnetic noise. PMID:17358232
Optical polarization of nuclear spins in silicon carbide
Abram L. Falk; Paul V. Klimov; Viktor Ivády; Krisztián Szász; David J. Christle; William F. Koehl; Ádám Gali; David D. Awschalom
2015-02-26
We demonstrate optically pumped dynamic nuclear polarization of 29-Si nuclear spins that are strongly coupled to paramagnetic color centers in 4H- and 6H-SiC. The 99 +/- 1% degree of polarization at room temperature corresponds to an effective nuclear temperature of 5 microKelvin. By combining ab initio theory with the experimental identification of the color centers' optically excited states, we quantitatively model how the polarization derives from hyperfine-mediated level anticrossings. These results lay a foundation for SiC-based quantum memories, nuclear gyroscopes, and hyperpolarized probes for magnetic resonance imaging.
Optical Polarization of Nuclear Spins in Silicon Carbide.
Falk, Abram L; Klimov, Paul V; Ivády, Viktor; Szász, Krisztián; Christle, David J; Koehl, William F; Gali, Ádám; Awschalom, David D
2015-06-19
We demonstrate optically pumped dynamic nuclear polarization of (29)Si nuclear spins that are strongly coupled to paramagnetic color centers in 4H- and 6H-SiC. The 99%±1% degree of polarization that we observe at room temperature corresponds to an effective nuclear temperature of 5???K. By combining ab initio theory with the experimental identification of the color centers' optically excited states, we quantitatively model how the polarization derives from hyperfine-mediated level anticrossings. These results lay a foundation for SiC-based quantum memories, nuclear gyroscopes, and hyperpolarized probes for magnetic resonance imaging. PMID:26197014
Optical Polarization of Nuclear Spins in Silicon Carbide
NASA Astrophysics Data System (ADS)
Falk, Abram L.; Klimov, Paul V.; Ivády, Viktor; Szász, Krisztián; Christle, David J.; Koehl, William F.; Gali, Ádám; Awschalom, David D.
2015-06-01
We demonstrate optically pumped dynamic nuclear polarization of 29Si nuclear spins that are strongly coupled to paramagnetic color centers in 4 H - and 6 H -SiC. The 9 9 % ±1 % degree of polarization that we observe at room temperature corresponds to an effective nuclear temperature of 5 ? K . By combining ab initio theory with the experimental identification of the color centers' optically excited states, we quantitatively model how the polarization derives from hyperfine-mediated level anticrossings. These results lay a foundation for SiC-based quantum memories, nuclear gyroscopes, and hyperpolarized probes for magnetic resonance imaging.
Electron Shot Noise and Nuclear Spin Dynamics in Spin-Blockaded Quantum Dots
NASA Astrophysics Data System (ADS)
Rudner, Mark; Koppens, Frank; Folk, Joshua; Vandersypen, Lieven; Levitov, Leonid
2010-03-01
In the spin-blockade regime of double quantum dots [1], electron transport through the system constitutes a purely electrical means of probing and manipulating the dynamics of nuclear spins. Intense interest in this system as a platform to study spin coherence and many-body dynamics has spawned a wide range of experiments [2], which have revealed many complex dynamical phenomena. Here we identify a fundamental process in which nuclear spin dynamics can be driven by electron shot noise; fast electric current fluctuations generate much slower nuclear polarization dynamics, which in turn affect electron dynamics via the Overhauser field. The resulting extremely slow current fluctuations account for a variety of observed phenomena that were not previously understood. We propose a simple model for the coupled dynamics of electron and nuclear spins that captures much of the essential physics behind these experiments and validate the model by comparison with experimental data. [1] K. Ono et al. Science 297, 1313 (2002). [2] R. Hanson et al., Rev. Mod. Phys. 79, 1217 (2007).
Coherent control of hyperfine-coupled electron and nuclear spins for quantum information processing
Yang, Jamie Chiaming
2008-01-01
Coupled electron-nuclear spins are promising physical systems for quantum information processing: By combining the long coherence times of the nuclear spins with the ability to initialize, control, and measure the electron ...
Engineering nuclear spin dynamics with optically pumped nitrogen-vacancy center
Ping Wang; Jiangfeng Du; Wen Yang
2015-03-01
We present a general theory for using an optically pumped diamond nitrogen-vacancy center as a tunable, non-equilibrium bath to control a variety of nuclear spin dynamics (such as dephasing, relaxation, squeezing, polarization, etc.) and the nuclear spin noise. It opens a new avenue towards engineering the dissipative and collective nuclear spin evolution and solves an open problem brought up by the $^{13}$C nuclear spin noise suppression experiment [E. Togan \\textit{et al}., Nature 478, 497 (2011)].
Quantum read-out and fast initialization of nuclear spin qubits with electric currents
Noah Stemeroff; Rogerio de Sousa
2011-10-01
Nuclear spin qubits have the longest coherence times in the solid state, but their quantum read-out and initialization is a great challenge. We present a theory for the interaction of an electric current with the nuclear spins of donor impurities in semiconductors. The theory yields a sensitivity criterion for quantum detection of nuclear spin states using electrically detected magnetic resonance, as well as an all electrical method for fast nuclear spin qubit initialization.
Hole - Nuclear Spin Interaction in Semiconductor Quantum Dots
NASA Astrophysics Data System (ADS)
Marie, Xavier
2010-03-01
Spins of localized electrons in semiconductor quantum dots (QDs) are attractive for future spintronic and quantum information devices since they are not subject to the classical spin relaxation mechanisms known for free carriers [1]. It is now well established that the main spin dephasing mechanism in QDs is due to the coupling of conduction electron spin with the randomly fluctuating nuclear spins (Fermi contact term) [2-5]. For a valence electron (or hole), this coupling is expected to be much weaker because of the p-symmetry of the valence band states and no experimental evidence of such a hole-nuclear spin interaction has been reported so far [6]. We have measured the carrier spin dynamics in p-doped InAs/GaAs quantum dots by pump probe and time-resolved photoluminescence experiments. We demonstrate that the hole spin dynamics in these QDs is governed by the interaction with randomly fluctuating nuclear spins [7]. Our calculations based on dipole-dipole coupling between the hole and the quantum dot nuclei lead to a hole spin dephasing time for an ensemble of dots of 15 ns in close agreement with experiments.[4pt] In collaboration with B. Eble, C. Testelin, F. Bernardot, and M. Chamarro, Institut des Nanosciences de Paris, Universit'e P. et M. Curie, CNRS, Paris, F-75015 France; A. Balocchi, T. Amand, and B. Urbaszek, Universit'e de Toulouse ; LPCNO, INSA-CNRS-UPS, 135 av. de Rangueil, 31077 Toulouse Cedex 4, France; and A. Lemaître, Laboratoire de Photonique et de Nanostructures, CNRS, Route de Nozay, F-91460, Marcoussis, France. [4pt] [1] Spin Physics in Semiconductors, edited by M. D'Yakonov (Springer, Berlin, 2008) [0pt] [2] I. Merkulov et al, Phys. Rev. B 65, 205309 (2002) [0pt] [3] P.-F. Braun, X. Marie et al, PRL 94, 116601 (2005) [0pt] [4] A. C. Johnson et al , Nature 435, 925 (2005) [0pt] [5] A. Greilich et al, Science 313, 341(2006) [0pt] [6] S. Laurent et al, Phys. Rev. Lett. 94, 147401 (2005) [0pt] [7] B. Eble et al, Phys. Rev. Lett. 102, 146601 (2009)
Nuclear Spin Gyroscope Based on an Atomic Comagnetometer
Kornack, T.W.; Ghosh, R.K.; Romalis, M.V.
2005-12-02
We describe a nuclear spin gyroscope based on an alkali-metal-noble-gas comagnetometer. Optically pumped alkali-metal vapor is used to polarize the noble-gas atoms and detect their gyroscopic precession. Spin precession due to magnetic fields as well as their gradients and transients can be cancelled in this arrangement. The sensitivity is enhanced by using a high-density alkali-metal vapor in a spin-exchange relaxation free regime. With a K-{sup 3}He comagnetometer we demonstrate rotation sensitivity of 5x10{sup -7} rad s{sup -1} Hz{sup -1/2}, equivalent to a magnetic field sensitivity of 2.5 fT/Hz{sup 1/2}. The rotation signal can be increased by a factor of 10 using {sup 21}Ne with a smaller magnetic moment. The comagnetometer is also a promising tool in searches for anomalous spin couplings beyond the standard model.
Nuclear spin dynamics in parabolic quantum wells Ionel Tifrea* and Michael E. Flatte
Flatte, Michael E.
Nuclear spin dynamics in parabolic quantum wells Ionel T¸ifrea* and Michael E. Flatte´ Department March 2004 We present a detailed analytical and numerical analysis of the nuclear spin dynamics of the electronic wave function in small electric fields. The nuclear spin relaxation via the hyperfine interaction
Nuclear spin selection rules in chemical reactions by angular momentum algebra
Oka, Takeshi
Nuclear spin selection rules in chemical reactions by angular momentum algebra Takeshi Oka of the representations of the permutationinversion group for both nuclear spin and rovibronic coordinate wavefunctions, those of the rotation group for nuclear spin wavefunction only are used. The method allows more
Nuclear Spin Effect in a Metallic Spin Valve J. Danon and Yu. V. Nazarov
. A switching of the magnetization directions of the ferromagnets causes nuclear spins to precess. We show- magnetic leads, one alters the total resistance of the device as well as the degree and direction on magnetic mutli- layers have not only revealed interesting physics, but also already led to several
Dependence of nuclear spin singlet lifetimes on RF spin-locking power
Stephen J. DeVience; Ronald L. Walsworth; Matthew S. Rosen
2012-01-06
We measure the lifetime of long-lived nuclear spin singlet states as a function of the strength of the RF spin-locking field and present a simple theoretical model that agrees well with our measurements, including the low-RF-power regime. We also measure the lifetime of a long-lived coherence between singlet and triplet states that does not require a spin-locking field for preservation. Our results indicate that for many molecules, singlet states can be created using weak RF spin-locking fields: more than two orders of magnitude lower RF power than in previous studies. Our findings suggest that in many biomolecules, singlets and related states with enhanced lifetimes might be achievable in vivo with safe levels of RF power.
Cooling of Nuclear Spins in Diamond via Dark State Spectroscopy
NASA Astrophysics Data System (ADS)
Singh, Swati; Pick, Adi; Lukin, Mikhail; Yelin, Susanne
2013-05-01
Interaction between an electronic state and its surrounding nuclear spin environment is a major source of decoherence in most artificial atomic systems. Recently, optical pumping techniques, including coherent population trapping were used to monitor and control the nuclear bath surrounding such solid state systems. We develop a semi-classical model reminiscent of VSCPT in atomic physics to explain the anomalous diffusion in the nuclear bath. We test our model by using it to explain the dark time distribution in experiments with NV centers in diamond.
Bennett, Steven D.
relies on dynamical decoupling sequences, which enhance the sensitivity to individual nuclear spins while the use of a single electronic spin to measure the quantum dynamics of distant individual nuclear spins from within a surrounding spin bath. Our technique exploits coherent control of the electron spin
Interplay of Electron and Nuclear Spin Noise in n -Type GaAs
NASA Astrophysics Data System (ADS)
Berski, Fabian; Hübner, Jens; Oestreich, Michael; Ludwig, Arne; Wieck, A. D.; Glazov, Mikhail
2015-10-01
We present spin-noise spectroscopy measurements on an ensemble of donor-bound electrons in ultrapure GaAs:Si covering temporal dynamics over 6 orders of magnitude from milliseconds to nanoseconds. The spin-noise spectra detected at the donor-bound exciton transition show the multifaceted dynamical regime of the ubiquitous mutual electron and nuclear spin interaction typical for III-V-based semiconductor systems. The experiment distinctly reveals the finite Overhauser shift of an electron spin precession at zero external magnetic field and a second contribution around zero frequency stemming from the electron spin components parallel to the nuclear spin fluctuations. Moreover, at very low frequencies, features related with time-dependent nuclear spin fluctuations are clearly resolved making it possible to study the intricate nuclear spin dynamics at zero and low magnetic fields. The findings are in agreement with the developed model of electron and nuclear spin noise.
Interplay of Electron and Nuclear Spin Noise in n-Type GaAs.
Berski, Fabian; Hübner, Jens; Oestreich, Michael; Ludwig, Arne; Wieck, A D; Glazov, Mikhail
2015-10-23
We present spin-noise spectroscopy measurements on an ensemble of donor-bound electrons in ultrapure GaAs:Si covering temporal dynamics over 6 orders of magnitude from milliseconds to nanoseconds. The spin-noise spectra detected at the donor-bound exciton transition show the multifaceted dynamical regime of the ubiquitous mutual electron and nuclear spin interaction typical for III-V-based semiconductor systems. The experiment distinctly reveals the finite Overhauser shift of an electron spin precession at zero external magnetic field and a second contribution around zero frequency stemming from the electron spin components parallel to the nuclear spin fluctuations. Moreover, at very low frequencies, features related with time-dependent nuclear spin fluctuations are clearly resolved making it possible to study the intricate nuclear spin dynamics at zero and low magnetic fields. The findings are in agreement with the developed model of electron and nuclear spin noise. PMID:26551132
Critical Behavior of Alternately Pumped Nuclear Spins in Quantum Dots.
Kondo, Y; Amaha, S; Ono, K; Kono, K; Tarucha, S
2015-10-30
Nuclear spins in a spin-blocked quantum dot can be pumped and eventually polarized in either of two opposite directions that are selected by applying two different source-drain voltages. Applying a square pulse train as the source-drain voltage can continuously switch the pumping direction alternately. We propose and demonstrate a critical behavior in the polarization after alternate pumping, where the final polarization is sensitive to the initial polarization and pulse conditions. This sensitivity leads to stochastic behavior in the final polarization under nominally the same pumping conditions. PMID:26565487
Optical Excitation of Nuclear Spin Coherence in Tm3+:YAG
Louchet, Anne; Bretenaker, Fabien; Chanelière, Thierry; Goldfarb, Fabienne; Lorgeré, Ivan; Gouët, Jean-Louis Le; Guillot-Noël, Olivier; Goldner, Philippe
2007-01-01
A thulium-doped crystal is experimentally shown to be an excellent candidate for broadband quantum storage in a solid-state medium. For the first time, nuclear spin coherence is optically excited, detected and characterized in such a crystal. The lifetime of the spin coherence -- the potential storage entity -- is measured by means of Raman echo to be about 300 $\\mu$s over a wide range of ground state splittings. This flexibility, attractive for broadband operation, and well fitted to existing quantum sources, results from the simple hyperfine structure, contrasting with Pr- and Eu- doped crystals.
Optical Excitation of Nuclear Spin Coherence in Tm3+:YAG
Anne Louchet; Yann Le Du; Fabien Bretenaker; Thierry Chanelière; Fabienne Goldfarb; Ivan Lorgeré; Jean-Louis Le Gouët; Olivier Guillot-Noël; Philippe Goldner
2007-10-17
A thulium-doped crystal is experimentally shown to be an excellent candidate for broadband quantum storage in a solid-state medium. For the first time, nuclear spin coherence is optically excited, detected and characterized in such a crystal. The lifetime of the spin coherence -- the potential storage entity -- is measured by means of Raman echo to be about 300 $\\mu$s over a wide range of ground state splittings. This flexibility, attractive for broadband operation, and well fitted to existing quantum sources, results from the simple hyperfine structure, contrasting with Pr- and Eu- doped crystals.
Investigation of the Possibility of Using Nuclear Magnetic Spin Alignment
NASA Technical Reports Server (NTRS)
Dent, William V., Jr.
1998-01-01
The goal of the program to investigate a "Gasdynamic fusion propulsion system for space exploration" is to develop a fusion propulsion system for a manned mission to the planet mars. A study using Deuterium and Tritium atoms are currently in progress. When these atoms under-go fusion, the resulting neutrons and alpha particles are emitted in random directions (isotropically). The probable direction of emission is equal for all directions, thus resulting in wasted energy, massive shielding and cooling requirements, and serious problems with the physics of achieving fusion. If the nuclear magnetic spin moments of the deuterium and tritium nuclei could be precisely aligned at the moment of fusion, the stream of emitted neutrons could be directed out the rear of the spacecraft for thrust and the alpha particles directed forward into an electromagnet ot produce electricity to continue operating the fusion engine. The following supporting topics are discussed: nuclear magnetic moments and spin precession in magnetic field, nuclear spin quantum mechanics, kinematics of nuclear reactions, and angular distribution of particles.
Nuclear spin-lattice relaxation in nanofluids with paramagnetic impurities
NASA Astrophysics Data System (ADS)
Furman, Gregory B.; Goren, Shaul D.; Meerovich, Victor M.; Sokolovsky, Vladimir L.
2015-12-01
We study the spin-lattice relaxation of the nuclear spins in a liquid or a gas entrapped in nanosized ellipsoidal cavities with paramagnetic impurities. Two cases are considered where the major axes of cavities are in orientational order and isotropically disordered. The evolution equation and analytical expression for spin lattice relaxation time are obtained which give the dependence of the relaxation time on the structural parameters of a nanocavity and the characteristics of a gas or a liquid confined in nanocavities. For the case of orientationally ordered cavities, the relaxation process is exponential. When the nanocavities are isotropically disordered, the time dependence of the magnetization is significantly non-exponential. As shown for this case, the relaxation process is characterized by two time constants. The measurements of the relaxation time, along with the information about the cavity size, allow determining the shape and orientation of the nanocavity and concentration of the paramagnetic impurities.
Fast Nuclear Spin Relaxation in Hyperpolarized Solid 129Xe
NASA Astrophysics Data System (ADS)
Kuzma, N. N.; Patton, B.; Raman, K.; Happer, W.
2002-04-01
We report extensive new measurements of the longitudinal relaxation time T1 of 129Xe nuclear spins in solid xenon. For temperatures T<120 K and magnetic fields B>0.05 T, we found T1 on the order of hours, in good agreement with previous measurements and with the predicted phonon-scattering limit for the spin-rotation interaction. For T>120 K, our new data show that T1 can be much shorter than the phonon scattering limit. For B = 0.06 T, a field often used to accumulate hyperpolarized xenon, T1 is ~6 s near the Xe melting point Tm = 161.4 K. From T = 50 K to Tm, the new data are in excellent agreement with the theoretical prediction that the relaxation is due to (i) modulation of the spin-rotation interaction by phonons, and (ii) modulation of the dipole-dipole interaction by vacancy diffusion.
Nuclear spin response studies in inelastic polarized proton scattering
Jones, K.W.
1988-01-01
Spin-flip probabilities S/sub nn/ have been measured for inelastic proton scattering at incident proton energies around 300 MeV from a number of nuclei. At low excitation energies S/sub nn/ is below the free value. For excitation energies above about 30 MeV for momentum transfers between about 0.35 fm/sup /minus/1/ and 0.65 fm/sup / minus/1/ S/sub nn/ exceeds free values significantly. These results suggest that the relative ..delta..S = 1(..delta..S = 0 + ..delta..S = 1) nuclear spin response approaches about 90% in the region of the enhancement. Comparison of the data with slab response calculations are presented. Decomposition of the measured cross sections into sigma(..delta..S = 0) and sigma(..delta..S = 1) permit extraction of nonspin-flip and spin-flip dipole and quadrupole strengths. 29 refs., 11 figs.
$?$-nuclear spin-orbit coupling from two-pion exchange
N. Kaiser
2007-11-14
Using SU(3) chiral perturbation theory we calculate the density-dependent complex-valued spin-orbit coupling strength $U_{\\Sigma ls}(k_f)+ i W_{\\Sigma ls}(k_f)$ of a $\\Sigma$ hyperon in the nuclear medium. The leading long-range $\\Sigma N$ interaction arises from iterated one-pion exchange with a $\\Lambda$ or a $\\Sigma$ hyperon in the intermediate state. We find from this unique long-range dynamics a sizeable ``wrong-sign'' spin-orbit coupling strength of $U_{\\Sigma ls}(k_{f0}) \\simeq -20$ MeVfm$^2$ at normal nuclear matter density $\\rho_0 = 0.16 $fm$^{-3}$. The strong $\\Sigma N\\to \\Lambda N$ conversion process contributes at the same time an imaginary part of $W_{\\Sigma ls}(k_{f0}) \\simeq -12$ MeVfm$^2$. When combined with estimates of the short-range contribution the total $\\Sigma$-nuclear spin-orbit coupling becomes rather weak.
NASA Astrophysics Data System (ADS)
LaForest, S.; de Sousa, Rogério
2015-08-01
Superconducting quantum interference devices (SQUIDs) and other superconducting circuits are limited by intrinsic flux noise with spectral density 1 /f? with ? <1 whose origin is believed to be due to spin impurities. Here, we present a theory of flux noise that takes into account the vectorial nature of the coupling of spins to superconducting wires. We present explicit numerical calculations of the flux-noise power (spectral density integrated over all frequencies) for electron impurities and lattice nuclear spins under several different assumptions. The noise power is shown to be dominated by surface electron spins near the wire edges, with bulk lattice nuclear spins contributing ˜5 % of the noise power in aluminum and niobium wires. We consider the role of electron spin phase transitions, showing that the spin-spin correlation length (describing, e.g., the average size of ferromagnetic spin clusters) greatly impacts the scaling of flux noise with wire geometry. Remarkably, the flux-noise power is exactly equal to zero when the spins are polarized along the flux-vector direction, forming what we call a poloidal state. Flux noise is nonzero for other spin textures, but gets reduced in the presence of correlated ferromagnetic fluctuations between the top and bottom wire surfaces, where the flux vectors are antiparallel. This demonstrates that engineering spin textures and/or intersurface correlation provides a method to reduce flux noise in superconducting devices.
Solid effect in magic angle spinning dynamic nuclear polarization
Corzilius, Björn; Smith, Albert A.; Griffin, Robert G.
2012-01-01
For over five decades, the solid effect (SE) has been heavily utilized as a mechanism for performing dynamic nuclear polarization (DNP). Nevertheless, it has not found widespread application in contemporary, high magnetic field DNP experiments because SE enhancements display an \\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{upgreek} \\usepackage{mathrsfs} \\setlength{\\oddsidemargin}{-69pt} \\begin{document} \\begin{equation*}\\omega _0 ^{ - 2}\\end{equation*} \\end{document}?0?2 field dependence. In particular, for nominally forbidden zero and double quantum SE transitions to be partially allowed, it is necessary for mixing of adjacent nuclear spin states to occur, and this leads to the observed field dependence. However, recently we have improved our instrumentation and report here an enhancement of ? = 91 obtained with the organic radical trityl (OX063) in magic angle spinning experiments performed at 5 T and 80 K. This is a factor of 6-7 higher than previous values in the literature under similar conditions. Because the solid effect depends strongly on the microwave field strength, we attribute this large enhancement to larger microwave field strengths inside the sample volume, achieved with more efficient coupling of the gyrotron to the sample chamber. In addition, we develop a theoretical model to explain the dependence of the buildup rate of enhanced nuclear polarization and the steady-state enhancement on the microwave power. Buildup times and enhancements were measured as a function of 1H concentration for both trityl and Gd-DOTA. Comparison of the results indicates that for trityl the initial polarization step is the slower, rate-determining step. However, for Gd-DOTA the spread of nuclear polarization via homonuclear 1H spin diffusion is rate-limiting. Finally, we discuss the applicability of the solid effect at fields > 5 T and the requirements to address the unfavorable field dependence of the solid effect. PMID:22894339
NASA Astrophysics Data System (ADS)
Chekhovich, E. A.; Hopkinson, M.; Skolnick, M. S.; Tartakovskii, A. I.
2015-02-01
Interaction with nuclear spins leads to decoherence and information loss in solid-state electron-spin qubits. One particular, ineradicable source of electron decoherence arises from decoherence of the nuclear spin bath, driven by nuclear-nuclear dipolar interactions. Owing to its many-body nature nuclear decoherence is difficult to predict, especially for an important class of strained nanostructures where nuclear quadrupolar effects have a significant but largely unknown impact. Here, we report direct measurement of nuclear spin bath coherence in individual self-assembled InGaAs/GaAs quantum dots: spin-echo coherence times in the range 1.2-4.5?ms are found. Based on these values, we demonstrate that strain-induced quadrupolar interactions make nuclear spin fluctuations much slower compared with lattice-matched GaAs/AlGaAs structures. Our findings demonstrate that quadrupolar effects can potentially be used to engineer optically active III-V semiconductor spin-qubits with a nearly noise-free nuclear spin bath, previously achievable only in nuclear spin-0 semiconductors, where qubit network interconnection and scaling are challenging.
Chekhovich, E.A.; Hopkinson, M.; Skolnick, M.S.; Tartakovskii, A.I.
2015-01-01
Interaction with nuclear spins leads to decoherence and information loss in solid-state electron-spin qubits. One particular, ineradicable source of electron decoherence arises from decoherence of the nuclear spin bath, driven by nuclear–nuclear dipolar interactions. Owing to its many-body nature nuclear decoherence is difficult to predict, especially for an important class of strained nanostructures where nuclear quadrupolar effects have a significant but largely unknown impact. Here, we report direct measurement of nuclear spin bath coherence in individual self-assembled InGaAs/GaAs quantum dots: spin-echo coherence times in the range 1.2–4.5?ms are found. Based on these values, we demonstrate that strain-induced quadrupolar interactions make nuclear spin fluctuations much slower compared with lattice-matched GaAs/AlGaAs structures. Our findings demonstrate that quadrupolar effects can potentially be used to engineer optically active III-V semiconductor spin-qubits with a nearly noise-free nuclear spin bath, previously achievable only in nuclear spin-0 semiconductors, where qubit network interconnection and scaling are challenging. PMID:25704639
Wang, Daw-Wei
regime, is still hindering further de- velopments. To study the effects of the nuclear spin bath, both. The effect of dipolar interaction between the nuclear spins are also studied in Refs. 9. However is still unavailable even though the delete- rious effects of nuclear spin have been verified in recent
Nuclear Hydrogen for Peak Electricity Production and Spinning Reserve
Forsberg, C.W.
2005-01-20
Nuclear energy can be used to produce hydrogen. The key strategic question is this: ''What are the early markets for nuclear hydrogen?'' The answer determines (1) whether there are incentives to implement nuclear hydrogen technology today or whether the development of such a technology could be delayed by decades until a hydrogen economy has evolved, (2) the industrial partners required to develop such a technology, and (3) the technological requirements for the hydrogen production system (rate of production, steady-state or variable production, hydrogen purity, etc.). Understanding ''early'' markets for any new product is difficult because the customer may not even recognize that the product could exist. This study is an initial examination of how nuclear hydrogen could be used in two interconnected early markets: the production of electricity for peak and intermediate electrical loads and spinning reserve for the electrical grid. The study is intended to provide an initial description that can then be used to consult with potential customers (utilities, the Electric Power Research Institute, etc.) to better determine the potential real-world viability of this early market for nuclear hydrogen and provide the starting point for a more definitive assessment of the concept. If this set of applications is economically viable, it offers several unique advantages: (1) the market is approximately equivalent in size to the existing nuclear electric enterprise in the United States, (2) the entire market is within the utility industry and does not require development of an external market for hydrogen or a significant hydrogen infrastructure beyond the utility site, (3) the technology and scale match those of nuclear hydrogen production, (4) the market exists today, and (5) the market is sufficient in size to justify development of nuclear hydrogen production techniques independent of the development of any other market for hydrogen. These characteristics make it an ideal early market for nuclear hydrogen.
Pulsed Nuclear Pumping and Spin Diffusion in a Single Charged Quantum Dot
NASA Astrophysics Data System (ADS)
Ladd, Thaddeus D.; Press, David; de Greve, Kristiaan; McMahon, Peter L.; Friess, Benedikt; Schneider, Christian; Kamp, Martin; Höfling, Sven; Forchel, Alfred; Yamamoto, Yoshihisa
2010-09-01
We report the observation of a feedback process between the nuclear spins in a single charged quantum dot under coherently pulsed optical excitation and its trion transition. The optical pulse sequence intersperses resonant narrow-band pumping for spin initialization with off-resonant ultrafast pulses for coherent electron-spin rotation. A hysteretic sawtooth pattern in the free-induction decay of the single electron spin is observed; a mathematical model indicates a competition between optical nuclear pumping and nuclear spin-diffusion. This effect allows dynamic tuning of the electron Larmor frequency to a value determined by the pulse timing, potentially allowing more complex coherent control operations.
Stable Three-Axis Nuclear Spin Gyroscope in Diamond
Ashok Ajoy; Paola Cappellaro
2012-05-07
We propose a sensitive and stable three-axis gyroscope in diamond. We achieve high sensitivity by exploiting the long coherence time of the N14 nuclear spin associated with the Nitrogen-Vacancy center in diamond, and the efficient polarization and measurement of its electronic spin. While the gyroscope is based on a simple Ramsey interferometry scheme, we use coherent control of the quantum sensor to improve its coherence time as well as its robustness against long-time drifts, thus achieving a very robust device with a resolution of 0.5mdeg/s/(Hz mm^3)^(1/2). In addition, we exploit the four axes of delocalization of the Nitrogen-Vacancy center to measure not only the rate of rotation, but also its direction, thus obtaining a compact three-axis gyroscope.
Nuclear spin-spin coupling in a van der Waals-bonded system: xenon dimer.
Vaara, Juha; Hanni, Matti; Jokisaari, Jukka
2013-03-14
Nuclear spin-spin coupling over van der Waals bond has recently been observed via the frequency shift of solute protons in a solution containing optically hyperpolarized (129)Xe nuclei. We carry out a first-principles computational study of the prototypic van der Waals-bonded xenon dimer, where the spin-spin coupling between two magnetically non-equivalent isotopes, J((129)Xe - (131)Xe), is observable. We use relativistic theory at the four-component Dirac-Hartree-Fock and Dirac-density-functional theory levels using novel completeness-optimized Gaussian basis sets and choosing the functional based on a comparison with correlated ab initio methods at the nonrelativistic level. J-coupling curves are provided at different levels of theory as functions of the internuclear distance in the xenon dimer, demonstrating cross-coupling effects between relativity and electron correlation for this property. Calculations on small Xe clusters are used to estimate the importance of many-atom effects on J((129)Xe - (131)Xe). Possibilities of observing J((129)Xe - (131)Xe) in liquid xenon are critically examined, based on molecular dynamics simulation. A simplistic spherical model is set up for the xenon dimer confined in a cavity, such as in microporous materials. It is shown that the on the average shorter internuclear distance enforced by the confinement increases the magnitude of the coupling as compared to the bulk liquid case, rendering J((129)Xe - (131)Xe) in a cavity a feasible target for experimental investigation. PMID:23514495
Mamone, Salvatore Concistrè, Maria; Carignani, Elisa; Meier, Benno; Krachmalnicoff, Andrea; Johannessen, Ole G.; Denning, Mark; Carravetta, Marina; Whitby, Richard J.; Levitt, Malcolm H.; Lei, Xuegong; Li, Yongjun; Goh, Kelvin; Horsewill, Anthony J.
2014-05-21
The water-endofullerene H{sub 2}O@C{sub 60} provides a unique chemical system in which freely rotating water molecules are confined inside homogeneous and symmetrical carbon cages. The spin conversion between the ortho and para species of the endohedral H{sub 2}O was studied in the solid phase by low-temperature nuclear magnetic resonance. The experimental data are consistent with a second-order kinetics, indicating a bimolecular spin conversion process. Numerical simulations suggest the simultaneous presence of a spin diffusion process allowing neighbouring ortho and para molecules to exchange their angular momenta. Cross-polarization experiments found no evidence that the spin conversion of the endohedral H{sub 2}O molecules is catalysed by {sup 13}C nuclei present in the cages.
Radioactive nuclear beams and the North American IsoSpin Laboratory (ISL) initiative
Casten, R.F.
1992-12-01
Radioactive nuclear beams (RNBs) offer exciting new research opportunities in fields as diverse as nuclear structure, nuclear reactions, astrophysics atomic, materials, and applied science. Their realization in new accelerator complexes also offers important technical challenges. Some of the nuclear physics possibilities afforded by RNBs, with emphasis on low spin nuclear structure, are discussed, accompanied by an outline of the ISL initiative and its status.
Radioactive nuclear beams and the North American IsoSpin Laboratory (ISL) initiative
Casten, R.F.
1992-01-01
Radioactive nuclear beams (RNBs) offer exciting new research opportunities in fields as diverse as nuclear structure, nuclear reactions, astrophysics atomic, materials, and applied science. Their realization in new accelerator complexes also offers important technical challenges. Some of the nuclear physics possibilities afforded by RNBs, with emphasis on low spin nuclear structure, are discussed, accompanied by an outline of the ISL initiative and its status.
Chamel, N.; Goriely, S.
2010-10-15
Self-consistent mean-field methods based on phenomenological Skyrme effective interactions are known to exhibit spurious spin and spin-isospin instabilities both at zero and finite temperatures when applied to homogeneous nuclear matter at the densities encountered in neutron stars and in supernova cores. The origin of these instabilities is revisited in the framework of the nuclear energy density functional theory, and a simple prescription is proposed to remove them. The stability of several Skyrme parametrizations is reexamined.
Abolfath, Ramin M; Roostaei, Bahman; Brabec, Thomas; Hawrylak, Pawel
2013-01-01
Dynamical magnetic and nuclear polarization in complex spin systems is discussed on the example of transfer of spin from exciton to the central spin of magnetic impurity in a quantum dot in the presence of a finite number of nuclear spins. The exciton is described in terms of the electron and heavy hole spins interacting via exchange interaction with magnetic impurity, via hypeprfine interaction with a finite number of nuclear spins and via dipole interaction with photons. The time-evolution of the exciton, magnetic impurity and nuclear spins is calculated exactly between quantum jumps corresponding to exciton radiative recombination. The collapse of the wavefunction and the refilling of the quantum dot with new spin polarized exciton is shown to lead to build up of magnetization of the magnetic impurity as well as nuclear spin polarization. The competition between electron spin transfer to magnetic impurity and to nuclear spins simultaneous with the creation of dark excitons is elucidated. The technique pres...
Quenching of dynamic nuclear polarization by spin–orbit coupling in GaAs quantum dots
Nichol, John M.; Harvey, Shannon P.; Shulman, Michael D.; Pal, Arijeet; Umansky, Vladimir; Rashba, Emmanuel I.; Halperin, Bertrand I.; Yacoby, Amir
2015-01-01
The central-spin problem is a widely studied model of quantum decoherence. Dynamic nuclear polarization occurs in central-spin systems when electronic angular momentum is transferred to nuclear spins and is exploited in quantum information processing for coherent spin manipulation. However, the mechanisms limiting this process remain only partially understood. Here we show that spin–orbit coupling can quench dynamic nuclear polarization in a GaAs quantum dot, because spin conservation is violated in the electron–nuclear system, despite weak spin–orbit coupling in GaAs. Using Landau–Zener sweeps to measure static and dynamic properties of the electron spin–flip probability, we observe that the size of the spin–orbit and hyperfine interactions depends on the magnitude and direction of applied magnetic field. We find that dynamic nuclear polarization is quenched when the spin–orbit contribution exceeds the hyperfine, in agreement with a theoretical model. Our results shed light on the surprisingly strong effect of spin–orbit coupling in central-spin systems. PMID:26184854
A. A. Kokin; V. A. Kokin
2008-12-01
As a nuclear spin model of scalable quantum register, the one-dimensional chain of the magnetic atoms with nuclear spins 1/2 substituting the basic atoms in the plate of nuclear spin free easy-axis 3D antiferromagnet is considered. It is formulated the generalized antiferromagnet Hamiltonian in spin-wave approximation (low temperatures) considering the inhomogeneous external magnetic field, which is directed along the easy axis normally to plane of the plate and has a constant gradient along the nuclear spin chain. Assuming a weak gradient, the asymptotic expression for coefficients of unitary transformations to the diagonal form of antiferromagnet Hamiltonian is found. With this result the expression for indirect interspin coupling, which is due to hyperfine nuclear electron coupling in atoms and the virtual spin wave propagation in antiferromagnet ground state, was evaluated. It is shown that the inhomogeneous magnetic field essentially modifies the characteristics of indirect interspin coupling. The indirect interaction essentially grows and even oscillates in relation to the interspin distance when the local field value in the middle point of two considered nuclear spin is close to the critical field for quantum phase transition of spin-flop type in bulk antiferromagnet or close to antiferromagnetic resonance. Thus, the external magnetic field, its gradient, microwave frequency and power can play the role of control parameters for qubit states. Finally, the one and two qubit states decoherence and longitudinal relaxation rate are caused by the interaction of nuclear spins with virtual spin waves in antiferromagnet ground state are calculated.
Dynamics of entanglement of two electron spins interacting with nuclear spin baths in quantum dots
NASA Astrophysics Data System (ADS)
Bragar, Igor; Cywi?ski, ?ukasz
2015-04-01
We study the dynamics of entanglement of two electron spins in two quantum dots, in which each electron is interacting with its nuclear spin environment. Focusing on the case of uncoupled dots, and starting from either Bell or Werner states of two qubits, we calculate the decay of entanglement due to the hyperfine interaction with the nuclei. We mostly focus on the regime of magnetic fields in which the bath-induced electron spin flips play a role, for example, their presence leads to the appearance of entanglement sudden death at finite time for two qubits initialized in a Bell state. For these fields, the intrabath dipolar interactions and spatial inhomogeneity of hyperfine couplings are irrelevant on the time scale of coherence (and entanglement) decay, and most of the presented calculations are performed using the uniform-coupling approximation to the exact hyperfine Hamiltonian. We provide a comprehensive overview of entanglement decay in this regime, considering both free evolution of the qubits, and an echo protocol with simultaneous application of ? pulses to the two spins. All the currently relevant for experiments bath states are considered: the thermal state, narrowed states (characterized by diminished uncertainty of one of the components of the Overhauser field) of two uncorrelated baths, and a correlated narrowed state with a well-defined value of the z component of the Overhauser field interdot gradient. While we mostly use concurrence to quantify the amount of entanglement in a mixed state of the two electron spins, we also show that their entanglement dynamics can be reconstructed from measurements of the currently relevant for experiments entanglement witnesses and the fidelity of quantum teleportation, performed using a partially disentangled state as a resource.
Mentink-Vigier, Frédéric; Paul, Subhradip; Lee, Daniel; Feintuch, Akiva; Hediger, Sabine; Vega, Shimon; De Paëpe, Gaël
2015-09-14
Over the last two decades solid state Nuclear Magnetic Resonance has witnessed a breakthrough in increasing the nuclear polarization, and thus experimental sensitivity, with the advent of Magic Angle Spinning Dynamic Nuclear Polarization (MAS-DNP). To enhance the nuclear polarization of protons, exogenous nitroxide biradicals such as TOTAPOL or AMUPOL are routinely used. Their efficiency is usually assessed as the ratio between the NMR signal intensity in the presence and the absence of microwave irradiation ?on/off. While TOTAPOL delivers an enhancement ?on/off of about 60 on a model sample, the more recent AMUPOL is more efficient: >200 at 100 K. Such a comparison is valid as long as the signal measured in the absence of microwaves is merely the Boltzmann polarization and is not affected by the spinning of the sample. However, recent MAS-DNP studies at 25 K by Thurber and Tycko (2014) have demonstrated that the presence of nitroxide biradicals combined with sample spinning can lead to a depolarized nuclear state, below the Boltzmann polarization. In this work we demonstrate that TOTAPOL and AMUPOL both lead to observable depolarization at ?110 K, and that the magnitude of this depolarization is radical dependent. Compared to the static sample, TOTAPOL and AMUPOL lead, respectively, to nuclear polarization losses of up to 20% and 60% at a 10 kHz MAS frequency, while Trityl OX63 does not depolarize at all. This experimental work is analyzed using a theoretical model that explains how the depolarization process works under MAS and gives new insights into the DNP mechanism and into the spin parameters, which are relevant for the efficiency of a biradical. In light of these results, the outstanding performance of AMUPOL must be revised and we propose a new method to assess the polarization gain for future radicals. PMID:26235749
Resolving remote nuclear spins in a noisy bath by dynamical decoupling design
NASA Astrophysics Data System (ADS)
Ma, Wenchao; Shi, Fazhan; Xu, Kebiao; Wang, Pengfei; Xu, Xiangkun; Rong, Xing; Ju, Chenyong; Duan, Chang-Kui; Zhao, Nan; Du, Jiangfeng
2015-09-01
We experimentally resolve several weakly coupled nuclear spins in diamond using a series of dynamical decoupling controls. Some nuclear spin signals, hidden by decoherence under ordinary dynamical decoupling controls, are shifted forward in time domain to the coherence time range and thus rescued from the fate of being submerged by the noisy spin bath. In this way, more and remote single nuclear spins are resolved. Additionally, the field of detection can be continuously tuned on subnanoscale. This method extends the capacity of nanoscale magnetometry and may be applicable in other systems for high-resolution noise spectroscopy.
Resolving Remoter Nuclear Spins in a Noisy Bath by Dynamical Decoupling Design
Wenchao Ma; Fazhan Shi; Kebiao Xu; Pengfei Wang; Xiangkun Xu; Xing Rong; Chenyong Ju; Chang-Kui Duan; Nan Zhao; Jiangfeng Du
2015-06-16
We experimentally resolve several weakly coupled nuclear spins in diamond using a series of novelly designed dynamical decoupling controls. Some nuclear spin signals, hidden by decoherence under ordinary dynamical decoupling controls, are shifted forward in time domain to the coherence time range and thus rescued from the fate of being submerged by the noisy spin bath. In this way, more and remoter single nuclear spins are resolved. Additionally, the field of detection can be continuously tuned on sub-nanoscale. This method extends the capacity of nanoscale magnetometry and may be applicable in other systems for high-resolution noise spectroscopy.
Nuclear spin structure in dark matter search: The finite momentum transfer limit
V. A. Bednyakov; F. Simkovic
2006-08-09
Spin-dependent elastic scattering of weakly interacting massive dark matter particles (WIMP) off nuclei is reviewed. All available, within different nuclear models, structure functions S(q) for finite momentum transfer (q>0) are presented. These functions describe the recoil energy dependence of the differential event rate due to the spin-dependent WIMP-nucleon interactions. This paper, together with the previous paper ``Nuclear spin structure in dark matter search: The zero momentum transfer limit'', completes our review of the nuclear spin structure calculations involved in the problem of direct dark matter search.
Single-shot readout of multiple nuclear spin qubits in diamond under ambient conditions.
Dréau, A; Spinicelli, P; Maze, J R; Roch, J-F; Jacques, V
2013-02-01
We use the electronic spin of a single nitrogen-vacancy defect in diamond to observe the real-time evolution of neighboring single nuclear spins under ambient conditions. Using a diamond sample with a natural abundance of (13)C isotopes, we first demonstrate high fidelity initialization and single-shot readout of an individual (13)C nuclear spin. By including the intrinsic (14)N nuclear spin of the nitrogen-vacancy defect in the quantum register, we then report the simultaneous observation of quantum jumps linked to both nuclear spin species, providing an efficient initialization of the two qubits. These results open up new avenues for diamond-based quantum information processing including active feedback in quantum error correction protocols and tests of quantum correlations with solid-state single spins at room temperature. PMID:23432227
Auzinsh, Marcis
the effect of electron and nuclear spin are introduced as time-independent perturbation coefficients. We find and nuclear spins are properly accounted for; there is no depolarization that may be attributed to the effectPolarization of emission in asymmetric rotors. I. The effects of elastic collisions, electron
Nuclear-Spin-Dependent Parity-Nonconserving Effects in Thallium, Lead and Bismuth Atoms
I. B. Khriplovich
1994-06-16
Nuclear-spin-dependent P-odd optical activity in atomic Tl, Pb and Bi is calculated. Its magnitude is expressed analytically through the main contribution to the optical rotation, which is independent of nuclear spin. The accuracy of results is discussed.
Nuclear Spin Dependent Parity Violation in Diatomic Molecules
NASA Astrophysics Data System (ADS)
Altuntas, Emine; Ammon, Jeffrey; Cahn, Sidney; Demille, David; Kozlov, Mikhail; Paolino, Richard
2015-05-01
Nuclear spin-dependent parity violation (NSD-PV) effects arise from exchange of the Z0 boson between electrons and the nucleus, and from interaction of electrons with the nuclear anapole moment, a parity-odd magnetic moment. The latter scales with nucleon number of the nucleus A as A 2 / 3 , whereas the Z0 coupling is independent of A. Thus the former is the dominant source of NSD-PV for nuclei with A >= 20. We study NSD-PV effects using diatomic molecules, where signals are dramatically amplified by bringing rotational levels of opposite parity close to degeneracy in a strong magnetic field. Using a Stark-interference technique we measure the NSD-PV interaction matrix element. We present results that demonstrate statistical sensitivity to NSD-PV effects surpassing that of any previous atomic parity violation measurement, using the test system 138Ba19F. We also discuss investigations of systematics due to non-reversing stray E-fields, Enr together with B-field inhomogeneities, and short-term prospects for measuring the nuclear anapole moment of 137Ba. In the long term, our technique is sufficiently general and sensitive to enable measurements across a broad range of nuclei.
Ki Deok Park; Guo, K.; Adebodun, F.; Chiu, M.L.; Sligar, S.G.; Oldfield, E. )
1991-03-05
The authors have obtained the oxygen-17 nuclear magnetic resonance (NMR) spectra of a variety of C{sup 17}O-labeled heme proteins, including sperm whale (Physeter catodon) myoglobin, two synthetic sperm whale myoglobin mutants (His E7 {yields} Val E7; His E7 {yields} Phe E7), adult human hemoglobin, rabbit (Oryctolagus cuniculus) hemoglobin, horseradish (Cochlearia armoracia) peroxidase isoenzymes A and C, and Caldariomyces fumago chloroperoxidase, in some cases as a function of pH, and have determined their isotropic {sup 17}O NMR chemical shifts, {delta}{sub i}, and spin-lattice relaxation times, T{sub 1}. They have also obtained similar results on a picket fence prophyrin. The results show an excellent correlation between the infrared C-O vibrational frequencies, {nu}(C-O), and {delta}{sub i}, between {nu}(C-O) and the {sup 17}O nuclear quadrupole coupling constant, and as expected between e{sup 2}qQ/h and {delta}{sub i}. The results suggest the IR and NMR measurements reflect the same interaction, which is thought to be primarily the degree of {pi}-back-bonding from Fe d to CO {pi}* orbitals, as outlined previously.
A 3D-Printed High Power Nuclear Spin Polarizer
Nikolaou, Panayiotis; Coffey, Aaron M.; Walkup, Laura L.; Gust, Brogan M.; LaPierre, Cristen D.; Koehnemann, Edward; Barlow, Michael J.; Rosen, Matthew S.; Goodson, Boyd M.; Chekmenev, Eduard Y.
2015-01-01
Three-dimensional printing with high-temperature plastic is used to enable spin exchange optical pumping (SEOP) and hyperpolarization of xenon-129 gas. The use of 3D printed structures increases the simplicity of integration of the following key components with a variable temperature SEOP probe: (i) in situ NMR circuit operating at 84 kHz (Larmor frequencies of 129Xe and 1H nuclear spins), (ii) <0.3 nm narrowed 200 W laser source, (iii) in situ high-resolution near-IR spectroscopy, (iv) thermoelectric temperature control, (v) retroreflection optics, and (vi) optomechanical alignment system. The rapid prototyping endowed by 3D printing dramatically reduces production time and expenses while allowing reproducibility and integration of “off-the-shelf” components and enables the concept of printing on demand. The utility of this SEOP setup is demonstrated here to obtain near-unity 129Xe polarization values in a 0.5 L optical pumping cell, including ~74 ± 7% at 1000 Torr xenon partial pressure, a record value at such high Xe density. Values for the 129Xe polarization exponential build-up rate [(3.63 ± 0.15) × 10?2 min?1] and in-cell 129Xe spin?lattice relaxation time (T1 = 2.19 ± 0.06 h) for 1000 Torr Xe were in excellent agreement with the ratio of the gas-phase polarizations for 129Xe and Rb (PRb ~ 96%). Hyperpolarization-enhanced 129Xe gas imaging was demonstrated with a spherical phantom following automated gas transfer from the polarizer. Taken together, these results support the development of a wide range of chemical, biochemical, material science, and biomedical applications. PMID:24400919
A 3D-printed high power nuclear spin polarizer.
Nikolaou, Panayiotis; Coffey, Aaron M; Walkup, Laura L; Gust, Brogan M; LaPierre, Cristen D; Koehnemann, Edward; Barlow, Michael J; Rosen, Matthew S; Goodson, Boyd M; Chekmenev, Eduard Y
2014-01-29
Three-dimensional printing with high-temperature plastic is used to enable spin exchange optical pumping (SEOP) and hyperpolarization of xenon-129 gas. The use of 3D printed structures increases the simplicity of integration of the following key components with a variable temperature SEOP probe: (i) in situ NMR circuit operating at 84 kHz (Larmor frequencies of (129)Xe and (1)H nuclear spins), (ii) <0.3 nm narrowed 200 W laser source, (iii) in situ high-resolution near-IR spectroscopy, (iv) thermoelectric temperature control, (v) retroreflection optics, and (vi) optomechanical alignment system. The rapid prototyping endowed by 3D printing dramatically reduces production time and expenses while allowing reproducibility and integration of "off-the-shelf" components and enables the concept of printing on demand. The utility of this SEOP setup is demonstrated here to obtain near-unity (129)Xe polarization values in a 0.5 L optical pumping cell, including ?74 ± 7% at 1000 Torr xenon partial pressure, a record value at such high Xe density. Values for the (129)Xe polarization exponential build-up rate [(3.63 ± 0.15) × 10(-2) min(-1)] and in-cell (129)Xe spin-lattice relaxation time (T1 = 2.19 ± 0.06 h) for 1000 Torr Xe were in excellent agreement with the ratio of the gas-phase polarizations for (129)Xe and Rb (PRb ? 96%). Hyperpolarization-enhanced (129)Xe gas imaging was demonstrated with a spherical phantom following automated gas transfer from the polarizer. Taken together, these results support the development of a wide range of chemical, biochemical, material science, and biomedical applications. PMID:24400919
Selective Rotational Excitation of Molecular Isotopes and Nuclear Spin Isomers
Sharly Fleischer; Ilya. Sh. Averbukh; Yehiam Prior
2007-02-15
Following excitation by a strong ultra-short laser pulse, molecules develop coordinated rotational motion, exhibiting transient alignment along the direction of the laser electric field, followed by periodic full and fractional revivals that depend on the molecular rotational constants. In mixtures, the different species undergo similar rotational dynamics, all starting together but evolving differently with each demonstrating its own periodic revival cycles. For a bimolecular mixture of linear molecules, at predetermined times, one species may attain a maximally aligned state while the other is anti-aligned (i.e. molecular axes are confined in a plane perpendicular to the laser electric field direction). By a properly timed second laser pulse, the rotational excitation of the undesired species may be almost completely removed leaving only the desired species to rotate and periodically realign, thus facilitating further selective manipulations by polarized light. In this paper, such double excitation schemes are demonstrated for mixtures of molecular isotopes (isotopologues) and for nuclear spin isomers.
Frequency selective detection of nuclear quadrupole resonance (NQR) spin echoes
NASA Astrophysics Data System (ADS)
Somasundaram, Samuel D.; Jakobsson, Andreas; Smith, John A. S.; Althoefer, Kaspar A.
2006-05-01
Nuclear Quadrupole Resonance (NQR) is a radio frequency (RF) technique that can be used to detect the presence of quadrupolar nuclei, such as the 14N nucleus prevalent in many explosives and narcotics. The technique has been hampered by low signal-to-noise ratios and is further aggravated by the presence of RF interference (RFI). To ensure accurate detection, proposed detectors should exploit the rich form of the NQR signal. Furthermore, the detectors should also be robust to any remaining residual interference, left after suitable RFI mitigation has been employed. In this paper, we propose a new NQR data model, particularly for the realistic case where multiple pulse sequences are used to generate trains of spin echoes. Furthermore, we refine two recently proposed approximative maximum likelihood (AML) detectors, enabling the algorithm to optimally exploit the data model of the entire echo train and also incorporate knowledge of the temperature dependent spin-echo decay time. The AML-based detectors ensure accurate detection and robustness against residual RFI, even when the temperature of the sample is not precisely known, by exploiting the dependencies of the NQR resonant lines on temperature. Further robustness against residual interference is gained as the proposed detector is frequency selective; exploiting only those regions of the spectrum where the NQR signal is expected. Extensive numerical evaluations based on both simulated and measured NQR data indicate that the proposed Frequency selective Echo Train AML (FETAML) detector offers a significant improvement as compared to other existing detectors.
Antiferromagnetic spin phase transition in nuclear matter with effective Gogny interaction
A. A. Isayev; J. Yang
2004-12-26
The possibility of ferromagnetic and antiferromagnetic phase transitions in symmetric nuclear matter is analyzed within the framework of a Fermi liquid theory with the effective Gogny interaction. It is shown that at some critical density nuclear matter with D1S effective force undergoes a phase transition to the antiferromagnetic spin state (the opposite direction of neutron and proton spins). The self--consistent equations of spin polarized nuclear matter with D1S force have no solutions, corresponding to the ferromagnetic spin ordering (the same direction of neutron and proton spins) and, hence, the ferromagnetic transition does not appear. The dependence of antiferromagnetic spin polarization parameter as a function of density is found at zero temperature.
Atomic-Scale Nuclear Spin Imaging Using Quantum-Assisted Sensors in Diamond
NASA Astrophysics Data System (ADS)
Ajoy, A.; Bissbort, U.; Lukin, M. D.; Walsworth, R. L.; Cappellaro, P.
2015-01-01
Nuclear spin imaging at the atomic level is essential for the understanding of fundamental biological phenomena and for applications such as drug discovery. The advent of novel nanoscale sensors promises to achieve the long-standing goal of single-protein, high spatial-resolution structure determination under ambient conditions. In particular, quantum sensors based on the spin-dependent photoluminescence of nitrogen-vacancy (NV) centers in diamond have recently been used to detect nanoscale ensembles of external nuclear spins. While NV sensitivity is approaching single-spin levels, extracting relevant information from a very complex structure is a further challenge since it requires not only the ability to sense the magnetic field of an isolated nuclear spin but also to achieve atomic-scale spatial resolution. Here, we propose a method that, by exploiting the coupling of the NV center to an intrinsic quantum memory associated with the nitrogen nuclear spin, can reach a tenfold improvement in spatial resolution, down to atomic scales. The spatial resolution enhancement is achieved through coherent control of the sensor spin, which creates a dynamic frequency filter selecting only a few nuclear spins at a time. We propose and analyze a protocol that would allow not only sensing individual spins in a complex biomolecule, but also unraveling couplings among them, thus elucidating local characteristics of the molecule structure.
Nuclear spin-lattice relaxation mechanisms in kaolinite confirmed by magic-angle spinning.
Hayashi, S; Akiba, E
1995-08-01
Spin-lattice relaxation mechanisms in kaolinite have been reinvestigated by magic-angle spinning (MAS) of the sample. MAS is useful to distinguish between relaxation mechanisms: the direct relaxation rate caused by the dipole-dipole interaction with electron spins is not affected by spinning while the spin diffusion-assisted relaxation rate is. Spin diffusion plays a dominant role in 1H relaxation. MAS causes only a slight change in the relaxation behavior, because the dipolar coupling between 1H spins is strong. 29Si relaxes directly through the dipole-dipole interaction with electron spins under spinning conditions higher than 2 kHz. A spin diffusion effect has been clearly observed in the 29Si relaxation of relatively pure samples under static and slow-spinning conditions. 27Al relaxes through three mechanisms: phonon-coupled quadrupole interaction, spin diffusion and dipole-dipole interaction with electron spins. The first mechanism is dominant, while the last is negligibly small. Spin diffusion between 27Al spins is suppressed completely at a spinning rate of 2.5 kHz. We have analyzed the relaxation behavior theoretically and discussed quantitatively. Concentrations of paramagnetic impurities, electron spin-lattice relaxation times and spin diffusion rates have been estimated. PMID:8581431
Influence of spin polarizability on liquid gas phase transition in the nuclear matter
NASA Astrophysics Data System (ADS)
Rezaei, Z.; Bigdeli, M.; Bordbar, G. H.
2015-10-01
In this paper, we investigate the liquid gas phase transition for the spin polarized nuclear matter. Applying the lowest order constrained variational (LOCV) method, and using two microscopic potentials, AV18 and UV14+TNI, we calculate the free energy, equation of state (EOS), order parameter, entropy, heat capacity and compressibility to derive the critical properties of spin polarized nuclear matter. Our results indicate that for the spin polarized nuclear matter, the second-order phase transition takes place at lower temperatures with respect to the unpolarized one. It is also shown that the critical temperature of our spin polarized nuclear matter with a specific value of spin polarization parameter is in good agreement with the experimental result.
Positioning Nuclear Spins in Interacting Clusters for Quantum Technologies and Bio-imaging
Zhen-Yu Wang; Jan F. Haase; Jorge Casanova; Martin B. Plenio
2015-10-09
We propose a method to measure the hyperfine vectors between a nitrogen-vacancy (NV) center and an environment of interacting nuclear spins. Our protocol enables the generation of tunable electron-nuclear coupling Hamiltonians while suppressing unwanted inter-nuclear interactions. In this manner, each nucleus can be addressed and controlled individually thereby permitting the reconstruction of the individual hyperfine vectors. With this ability the 3D-structure of spin ensembles and spins in bio-molecules can be identified without the necessity of varying the direction of applied magnetic fields. We demonstrate examples including the complete identification of an interacting spin cluster in diamond and 3D imaging of all the nuclear spins in a bio-molecule of L-malic acid.
I. Popa; T. Gaebel; M. Domhan; C. Wittmann; F. Jelezko; J. Wrachtrup
2004-09-12
The coherent behavior of the single electron and single nuclear spins of a defect center in diamond and a 13C nucleus in its vicinity, respectively, are investigated. The energy levels associated with the hyperfine coupling of the electron spin of the defect center to the 13C nuclear spin are analyzed. Methods of magnetic resonance together with optical readout of single defect centers have been applied in order to observe the coherent dynamics of the electron and nuclear spins. Long coherence times, in the order of microseconds for electron spins and tens of microseconds for nuclear spins, recommend the studied system as a good experimental approach for implementing a 2-qubit gate.
Recursive polarization of nuclear spins in diamond at arbitrary magnetic fields
Pagliero, Daniela; Laraoui, Abdelghani; Henshaw, Jacob D.; Meriles, Carlos A.
2014-12-15
We introduce an alternate route to dynamically polarize the nuclear spin host of nitrogen-vacancy (NV) centers in diamond. Our approach articulates optical, microwave, and radio-frequency pulses to recursively transfer spin polarization from the NV electronic spin. Using two complementary variants of the same underlying principle, we demonstrate nitrogen nuclear spin initialization approaching 80% at room temperature both in ensemble and single NV centers. Unlike existing schemes, our approach does not rely on level anti-crossings and is thus applicable at arbitrary magnetic fields. This versatility should prove useful in applications ranging from nanoscale metrology to sensitivity-enhanced NMR.
Theory of Coherent and Incoherent Nuclear Spin-Dephasing in the Heart
Wolfgang R. Bauer; Walter Nadler; Michael Bock; Lothar R. Schad; Christian Wacker; Andreas Hartlep; Georg Ertl
1999-10-01
We present an analytical theory of susceptibility induced nuclear spin dephasing in the capillary network of myocardium. Using a strong collision approach, equations are obtained for the relaxation rate of the free induction and the spin echo decay. Simulation and experimental data are well predicted by the theory. Since paramagnetic deoxyhemoglobin as the origin of nuclear spin dephasing has a higher tissue concentration in myocardium supplied by a stenotic, i. e. significantly narrowed, coronary artery, spin dephasing might serve as a diagnostic tool. Our approach can be modified for capillary networks in other tissues than myocardium and may be applied in material science.
(Evolution of nuclear collectivity at high spins and temperatures)
Baktash, C.
1989-09-28
The traveler attended and presented an invited talk entitled Evolution of nuclear collectivity at high spins and temperatures'' at the XII Workshop on Nuclear Physics at Iguazu Falls, Argentina. Following the conference, the traveler visited the TANDAR Laboratory in Buenos Aires, Argentina, for two weeks. This trip was the first by one of the principal investigators of an ORNL-TANDAR exchange program that was recently approved and funded by the NSF. The results of the extensive consultations that the traveler had with his Argentine collaborators, A. J. Kreiner and G. Garcia-Bermudez, can be summarized as follows: (1) discussed the spectroscopy work on several nuclei of common interest that are being studied at the two laboratories, (2) agreed on the first joint experiments to be performed at the Holifield and TANDAR facilities, (3) developed a tentative timetable for the future visits by both groups, and (4) continued with the analysis of data on {sup 82}Sr taken earlier at ORNL in collaboration with Dr. Garcia-Bermudez.
Nuclear Spin Relaxation Times for Methane-Helium ``Slush'' at 4 MHz using Pulsed NMR
NASA Astrophysics Data System (ADS)
Hamida, J. A.; Sullivan, N. S.
2006-09-01
We report measurements of the nuclear spin-lattice relaxation times (T1) and spin-spin relaxation times (T2) for small grains of methane suspended in liquid helium (methane-helium "slush") for temperatures 2 K
King, Jonathan P.; Jeong, Keunhong; Vassiliou, Christophoros C.; Shin, Chang S.; Page, Ralph H.; Avalos, Claudia E.; Wang, Hai-Jing; Pines, Alexander
2015-01-01
Low detection sensitivity stemming from the weak polarization of nuclear spins is a primary limitation of magnetic resonance spectroscopy and imaging. Methods have been developed to enhance nuclear spin polarization but they typically require high magnetic fields, cryogenic temperatures or sample transfer between magnets. Here we report bulk, room-temperature hyperpolarization of 13C nuclear spins observed via high-field magnetic resonance. The technique harnesses the high optically induced spin polarization of diamond nitrogen vacancy centres at room temperature in combination with dynamic nuclear polarization. We observe bulk nuclear spin polarization of 6%, an enhancement of ?170,000 over thermal equilibrium. The signal of the hyperpolarized spins was detected in situ with a standard nuclear magnetic resonance probe without the need for sample shuttling or precise crystal orientation. Hyperpolarization via optical pumping/dynamic nuclear polarization should function at arbitrary magnetic fields enabling orders of magnitude sensitivity enhancement for nuclear magnetic resonance of solids and liquids under ambient conditions. PMID:26639147
King, Jonathan P; Jeong, Keunhong; Vassiliou, Christophoros C; Shin, Chang S; Page, Ralph H; Avalos, Claudia E; Wang, Hai-Jing; Pines, Alexander
2015-01-01
Low detection sensitivity stemming from the weak polarization of nuclear spins is a primary limitation of magnetic resonance spectroscopy and imaging. Methods have been developed to enhance nuclear spin polarization but they typically require high magnetic fields, cryogenic temperatures or sample transfer between magnets. Here we report bulk, room-temperature hyperpolarization of (13)C nuclear spins observed via high-field magnetic resonance. The technique harnesses the high optically induced spin polarization of diamond nitrogen vacancy centres at room temperature in combination with dynamic nuclear polarization. We observe bulk nuclear spin polarization of 6%, an enhancement of ?170,000 over thermal equilibrium. The signal of the hyperpolarized spins was detected in situ with a standard nuclear magnetic resonance probe without the need for sample shuttling or precise crystal orientation. Hyperpolarization via optical pumping/dynamic nuclear polarization should function at arbitrary magnetic fields enabling orders of magnitude sensitivity enhancement for nuclear magnetic resonance of solids and liquids under ambient conditions. PMID:26639147
Boundary between the thermal and statistical polarization regimes in a nuclear spin ensemble
Herzog, B. E.; Cadeddu, D.; Xue, F.; Peddibhotla, P.; Poggio, M.
2014-07-28
As the number of spins in an ensemble is reduced, the statistical fluctuations in its polarization eventually exceed the mean thermal polarization. This transition has now been surpassed in a number of recent nuclear magnetic resonance experiments, which achieve nanometer-scale detection volumes. Here, we measure nanometer-scale ensembles of nuclear spins in a KPF{sub 6} sample using magnetic resonance force microscopy. In particular, we investigate the transition between regimes dominated by thermal and statistical nuclear polarization. The ratio between the two types of polarization provides a measure of the number of spins in the detected ensemble.
Nuclear surface properties and spin-orbit potential in a modified derivative coupling model
NASA Astrophysics Data System (ADS)
Hua, Guo; Chossy, T. V.; Stocker, W.
2000-01-01
Based on the Zimányi-Moszkowski derivative coupling Lagrangian plus tensor-coupling term, calculations of symmetric semi-infinite nuclear matter and finite nuclei have been performed. Our results show that with increasing tensor coupling the spin-orbit potential is considerably improved, but the surface tension and the surface thickness decrease to values too low compared with experiment. In addition, the effects of the ?-meson mass on nuclear surface properties, on the spin-orbit potential as well as on nuclear binding energies are discussed. No parameter set could be found that leads to good surface properties even if energies and spin-orbit splittings are realistic.
Qubit Control Limited by Spin-Lattice Relaxation in a Nuclear Spin-Free Iron(III) Complex.
Zadrozny, Joseph M; Freedman, Danna E
2015-12-21
High-spin transition metal complexes are of interest as candidates for quantum information processing owing to the tunability of the pairs of MS levels for use as quantum bits (qubits). Thus, the design of high-spin systems that afford qubits with stable superposition states is of primary importance. Nuclear spins are a potent instigator of superposition instability; thus, we probed the Ph4P(+) salt of the nuclear spin-free complex [Fe(C5O5)3](3-) (1) to see if long-lived superpositions were possible in such a system. Continuous-wave and pulsed electron paramagnetic resonance (EPR) spectroscopic measurements reveal a strong EPR transition at X-band that can be utilized as a qubit. However, at 5 K the coherent lifetime, T2, for this resonance is 721(3) ns and decreases rapidly with increasing temperature. Simultaneously, the spin-lattice relaxation time is extremely short, 11.33(1) ?s, at 5 K, and also rapidly decreases with increasing temperature. The coincidence of these two temperature-dependent data sets suggests that T2 in 1 is strongly limited by the short T1. Importantly, these results highlight the need for new design parameters in pursuit of high-spin species with appreciable coherence times. PMID:26650962
Conditional Control of Donor Nuclear Spins in Silicon Using Stark Shifts
NASA Astrophysics Data System (ADS)
Wolfowicz, Gary; Urdampilleta, Matias; Thewalt, Mike L. W.; Riemann, Helge; Abrosimov, Nikolai V.; Becker, Peter; Pohl, Hans-Joachim; Morton, John J. L.
2014-10-01
Electric fields can be used to tune donor spins in silicon using the Stark shift, whereby the donor electron wave function is displaced by an electric field, modifying the hyperfine coupling between the electron spin and the donor nuclear spin. We present a technique based on dynamic decoupling of the electron spin to accurately determine the Stark shift, and illustrate this using antimony donors in isotopically purified silicon-28. We then demonstrate two different methods to use a dc electric field combined with an applied resonant radio-frequency (rf) field to conditionally control donor nuclear spins. The first method combines an electric-field induced conditional phase gate with standard rf pulses, and the second one simply detunes the spins off resonance. Finally, we consider different strategies to reduce the effect of electric field inhomogeneities and obtain above 90% process fidelities.
Conditional control of donor nuclear spins in silicon using stark shifts.
Wolfowicz, Gary; Urdampilleta, Matias; Thewalt, Mike L W; Riemann, Helge; Abrosimov, Nikolai V; Becker, Peter; Pohl, Hans-Joachim; Morton, John J L
2014-10-10
Electric fields can be used to tune donor spins in silicon using the Stark shift, whereby the donor electron wave function is displaced by an electric field, modifying the hyperfine coupling between the electron spin and the donor nuclear spin. We present a technique based on dynamic decoupling of the electron spin to accurately determine the Stark shift, and illustrate this using antimony donors in isotopically purified silicon-28. We then demonstrate two different methods to use a dc electric field combined with an applied resonant radio-frequency (rf) field to conditionally control donor nuclear spins. The first method combines an electric-field induced conditional phase gate with standard rf pulses, and the second one simply detunes the spins off resonance. Finally, we consider different strategies to reduce the effect of electric field inhomogeneities and obtain above 90% process fidelities. PMID:25375741
Spin distribution in low-energy nuclear level schemes
Egidy, T. von; Bucurescu, D.
2008-11-15
The spin-cutoff parameter {sigma} has been determined for experimental spin distributions at low excitation energies of 310 nuclei between {sup 18}F and {sup 251}Cf (more than 8000 levels with their spin). The results indicate a weak dependence on the mass number A of the spin-cutoff parameter {sigma}{sup 2}{approx}A{sup 0.28}, and an even-odd spin staggering in the spin distribution of the even-even nuclei, with a strong enhancement of the number of states with spin zero. A modification of the spin-cutoff distribution formula is proposed in order to describe the even-even nuclei data. These findings are in good agreement with recent predictions of shell-model Monte Carlo calculations.
Studies on Entanglement in Nuclear and Electron Spin Systems for Quantum Computing
Robabeh Rahimi
2006-09-12
In this work, we have been working on the concept of quantum entanglement. At first, we studied the theory of entanglement in its characterization and measurement, introducing a new scheme for detection of entanglement. The new approach links molecular-spin entities involving nuclear spins to quantum computing as more appropriate physical systems of interest. Then, we continued with the realization of entanglement in experiments. NMR has been the first choice due to its well approved advantages for quantum computing. NMR, however, has not been an appropriate system for demonstrating entangled states. Through a mathematical proof, NMR with low spin polarization has been invalidated for true implementations of non-local quantum algorithms, particularly supserdense coding. The point is that high spin polarization is inevitably required to acquire entanglement while in the current NMR it has been a formidable task to get highly polarized nuclear spins. In order to acquire high spin polarization, introducing electron spins can be much effective because of its three-order-of-magnitude larger gyromagnetic ratio compared to nuclear spins. Electron Nuclear DOuble Resonance (ENDOR) is spin manipulation technology that enables us to deal with both electron and nuclear spins. Thus, in this context, it can be more appropriate device for quantum computing. We emphasize that (pseudo)entanglement and interconversion between the entangled states have been realized with ENDOR on extremely stable organic molecular-spin entities. The required experimental conditions to obtain true quantum entanglement are also discussed. The appropriate entanglement witness for the corresponding ensemble quantum computing is introduced and examined.
Tsuda, S.; Nguyen, M. H.; Terasawa, D.; Fukuda, A.; Zheng, Y. D.; Arai, T.; Sawada, A.; Ezawa, Z. F.
2013-12-04
We investigate the electron spin degree of freedom at the imbalanced density bilayer ? = 1 quantum Hall states using the resistively detected nuclear-spin-lattice relaxation rate 1/T{sub 1}. Our measurements reveal a continuous change in 1/T{sub 1} for ? = 1 to 0, suggesting that the balanced density ? = 1 state also exhibits electron-spin fluctuations. Moreover, the value of 1/T{sub 1} in the back layer (the layer from which electrons are transferred to the front layer) increases at intermediate density imbalance states. This indicates that the low-energy electron-spin mode, similar to a mode observed in Skyrmion crystals, might extend across the two layers.
Microwave field distribution in a magic angle spinning dynamic nuclear polarization NMR probe
Nanni, Emilio A.
We present a calculation of the microwave field distribution in a magic angle spinning (MAS) probe utilized in dynamic nuclear polarization (DNP) experiments. The microwave magnetic field (B[subscript 1S]) profile was ...
Atomic-Scale Nuclear Spin Imaging Using Quantum-Assisted Sensors in Diamond
Bissbort, U.
Nuclear spin imaging at the atomic level is essential for the understanding of fundamental biological phenomena and for applications such as drug discovery. The advent of novel nanoscale sensors promises to achieve the ...
Nuclear-Spin Temperature of Water Molecules Thermally Desorbed from Ice: A Laboratory Study
NASA Astrophysics Data System (ADS)
Hama, T.; Watanabe, N.; Kouchi, A.
2012-05-01
The present study reports experimental measurements of nuclear-spin states and rotational temperatures of thermally desorbed H2O molecules from water ice by combining temperature-programmed desorption and resonance-enhanced multiphoton ionization.
Nuclear-Spin Gyroscope Based on an Atomic Co-Magnetometer
NASA Technical Reports Server (NTRS)
Romalis, Michael; Komack, Tom; Ghost, Rajat
2008-01-01
An experimental nuclear-spin gyroscope is based on an alkali-metal/noblegas co-magnetometer, which automatically cancels the effects of magnetic fields. Whereas the performances of prior nuclear-spin gyroscopes are limited by sensitivity to magnetic fields, this gyroscope is insensitive to magnetic fields and to other external perturbations. In addition, relative to prior nuclear-spin gyroscopes, this one exhibits greater sensitivity to rotation. There is commercial interest in development of small, highly sensitive gyroscopes. The present experimental device could be a prototype for development of nuclear spin gyroscopes suitable for navigation. In comparison with fiber-optic gyroscopes, these gyroscopes would draw less power and would be smaller, lighter, more sensitive, and less costly.
Cryogenic sample exchange NMR probe for magic angle spinning dynamic nuclear polarization
Barnes, Alexander
We describe a cryogenic sample exchange system that dramatically improves the efficiency of magic angle spinning (MAS) dynamic nuclear polarization (DNP) experiments by reducing the time required to change samples and by ...
Ping Wang; Bao Liu; Wen Yang
2015-07-31
Enhancing the polarization of nuclear spins surrounding the nitrogen-vacancy (NV) center in diamond has attracted widespread attention recently due to its various applications. Here we present an analytical theory and comprehensive understanding on how to optimize the dynamic nuclear polarization by an optically pumped NV center near the ground state level anticrossing. Our results not only provide a parameter-free explanation and a clearly physics picture for the recently observed polarization dependence on the magnetic field for strongly coupled $^{13}$C nuclei [H. J. Wang \\textit{et al}., Nat. Commun. 4, 1 (2013)], but also demonstrate the possibility to strongly polarize weakly coupled $^{13}$C nuclei under weak optical pumping and suitably chosen magnetic field. This allows sensitive magnetic control of the $^{13}$C nuclear spin polarization for NMR applications and significant suppression of the $^{13}$C nuclear spin noise to prolong the NV spin coherence time.
Nuclear spin singlet states as a contrast mechanism for NMR spectroscopy
Walsworth, Ronald L.
signals overlap weaker peaks. In this article we demon- strate a quantum filter utilizing nuclear spin- nents. However, in mixtures of biomolecules, such as blood, urine and brain tissue, strong and broad NMR
NASA Astrophysics Data System (ADS)
Halse, Meghan E.; Zagdoun, Alexandre; Dumez, Jean-Nicolas; Emsley, Lyndon
2015-05-01
A method for quantitatively calculating nuclear spin diffusion constants directly from crystal structures is introduced. This approach uses the first-principles low-order correlations in Liouville space (LCL) method to simulate spin diffusion in a box, starting from atomic geometry and including both magic-angle spinning (MAS) and powder averaging. The LCL simulations are fit to the 3D diffusion equation to extract quantitative nuclear spin diffusion constants. We demonstrate this method for the case of 1H spin diffusion in ice and L-histidine, obtaining diffusion constants that are consistent with literature values for 1H spin diffusion in polymers and that follow the expected trends with respect to magic-angle spinning rate and the density of nuclear spins. In addition, we show that this method can be used to model 13C spin diffusion in diamond and therefore has the potential to provide insight into applications such as the transport of polarization in non-protonated systems.
Knight shift and nuclear spin relaxation in Fe/n -GaAs heterostructures
NASA Astrophysics Data System (ADS)
Christie, K. D.; Geppert, C. C.; Patel, S. J.; Hu, Q. O.; Palmstrøm, C. J.; Crowell, P. A.
2015-10-01
We investigate the dynamically polarized nuclear spin system in Fe/n -GaAs heterostructures using the response of the electron-spin system to nuclear magnetic resonance (NMR) in lateral spin-valve devices. The hyperfine interaction is known to act more strongly on donor-bound electron states than on those in the conduction band. We provide a quantitative model of the temperature dependence of the occupation of donor sites. With this model we calculate the ratios of the hyperfine and quadrupolar nuclear relaxation rates of each isotope. For all temperatures measured, quadrupolar relaxation limits the spatial extent of nuclear spin polarization to within a Bohr radius of the donor sites and is directly responsible for the isotope dependence of the measured NMR signal amplitude. The hyperfine interaction is also responsible for the 2 kHz Knight shift of the nuclear resonance frequency that is measured as a function of the electron-spin accumulation. The Knight shift is shown to provide a measurement of the electron-spin polarization that agrees qualitatively with standard spin transport measurements.
Lattice dynamics in spin-crossover nanoparticles through nuclear inelastic scattering
NASA Astrophysics Data System (ADS)
Félix, Gautier; Mikolasek, Mirko; Peng, Haonan; Nicolazzi, William; Molnár, Gábor; Chumakov, Aleksandr I.; Salmon, Lionel; Bousseksou, Azzedine
2015-01-01
We used nuclear inelastic scattering (NIS) to investigate the lattice dynamics in [Fe(pyrazine)(Ni(CN)4)] spin crossover nanoparticles. The vibrational density of states of iron was extracted from the NIS data, which allowed to determine characteristic thermodynamical and lattice dynamical parameters as well as their spin-state dependence. The optical part of the NIS spectra compares well with the Raman scattering data reflecting the expansion/contraction of the coordination octahedron during the spin transition. From the acoustic part, we extracted the sound velocity in the low-spin (vLS=2073 ±31 m s-1) and high-spin (vHS=1942 ±23 m s-1) states of the particles. The spin-state dependence of this parameter is of primary interest to rationalize the spin-transition behavior in solids as well as its dynamics and finite size effects.
Romalis, Mike
Nuclear Spin Gyroscope Based on an Atomic Comagnetometer T. W. Kornack, R. K. Ghosh, and M. V; published 29 November 2005) We describe a nuclear spin gyroscope based on an alkali their gyroscopic precession. Spin precession due to magnetic fields as well as their gradients and transients can
Isovector nuclear spin-orbit interaction from chiral pion-nucleon dynamics
N. Kaiser
2003-01-08
Using the two-loop approximation of chiral perturbation theory, we calculate the momentum and density dependent isovector nuclear spin-orbit strength $V_{ls}(p,k_f)$. This quantity is derived from the spin-dependent part of the interaction energy $\\Sigma_{spin} = {i\\over 2} \\vec \\sigma \\cdot (\\vec q \\times\\vec p)[U_{ls}(p,k_f)- V_{ls}(p,k_f)\\tau_3 \\delta] $ of a nucleon scattering off weakly inhomogeneous isospin-asymmetric nuclear matter. We find that iterated $1\\pi$-exchange generates at saturation density, $k_{f0}=272.7 $MeV, an isovector nuclear spin-orbit strength at $p=0$ of $V_{ls}(0,k_{f0}) \\simeq 50$ MeVfm$^2$. This value is about 1.4 times the analogous isoscalar nuclear spin-orbit strength $U_{ls}(0,k_{f0})\\simeq 35$ MeVfm$^2$ generated by the same two-pion exchange diagrams. We also calculate several relativistic 1/M-corrections to the isoscalar nuclear spin-orbit strength. In particular, we evaluate the contributions from irreducible two-pion exchange to $U_{ls}(p,k_f)$. The effects of the three-body diagrams constructed from the Weinberg-Tomozawa $\\pi\\pi NN$-contact vertex on the isoscalar nuclear spin-orbit strength are computed. We find that such relativistic 1/M-corrections are less than 20% of the isoscalar nuclear spin-orbit strength generated by iterated one-pion-exchange, in accordance with the expectation from chiral power counting.
NASA Astrophysics Data System (ADS)
Rusakov, V. S.; Pokatilov, V. S.; Sigov, A. S.; Matsnev, M. E.; Gubaidulina, T. V.
2014-12-01
Methods of the diagnostics of the spatial spin-modulated structure of the cycloidal type in multiferroics based on nuclear magnetic resonance and Mössbauer spectroscopy have been considered. It has been established that Mössbauer spectroscopy makes it possible to determine the anharmonicity parameter of the spatial spin-modulated structure of the cycloidal type with no worse accuracy than nuclear magnetic resonance with higher resolution. Mössbauer spectroscopy, being sensitive to the hyperfine quadrupole interaction of the nucleus in the excited state, makes it possible to obtain additional information on the features of the spatial spin-modulated structure.
Ramin M. Abolfath; Anna Trojnar; Bahman Roostaei; Thomas Brabec; Pawel Hawrylak
2012-05-17
Dynamical magnetic and nuclear polarization in complex spin systems is discussed on the example of transfer of spin from exciton to the central spin of magnetic impurity in a quantum dot in the presence of a finite number of nuclear spins. The exciton is described in terms of the electron and heavy hole spins interacting via exchange interaction with magnetic impurity, via hypeprfine interaction with a finite number of nuclear spins and via dipole interaction with photons. The time-evolution of the exciton, magnetic impurity and nuclear spins is calculated exactly between quantum jumps corresponding to exciton radiative recombination. The collapse of the wavefunction and the refilling of the quantum dot with new spin polarized exciton is shown to lead to build up of magnetization of the magnetic impurity as well as nuclear spin polarization. The competition between electron spin transfer to magnetic impurity and to nuclear spins simultaneous with the creation of dark excitons is elucidated. The technique presented here opens up the possibility of studying optically induced Dynamical Magnetic and Nuclear Polarization in Complex Spin Systems.
Description of ^{158}Er at Ultrahigh Spin in Nuclear Density Functional Theory
Afanasjev, A. V.; Nazarewicz, Witold
2012-01-01
Rotational bands in 158Er at ultrahigh spin have been studied in the framework of relativistic and nonrelativistic nuclear density-functional theories. Consistent results are obtained across the theoretical models used but some puzzles remain when confronted with experiment. Namely, the many-body configurations which provide good description of experimental transition quadrupole moments and dynamic moments of inertia require substantial increase of the spins of observed bands as compared with experimental estimates, which are still subject to large uncertainties. If, however, the theoretical spin assignments turned out to be correct, experimental band 1 in 158Er would be the highest spin structure ever observed.
The classical nature of nuclear spin noise near clock transitions of Bi donors in silicon
Wen-Long Ma; Gary Wolfowicz; Shu-Shen Li; John J. L. Morton; Ren-Bao Liu
2015-05-07
Whether a quantum bath can be approximated as classical noise is a fundamental issue in central spin decoherence and also of practical importance in designing noise-resilient quantum control. Spin qubits based on bismuth donors in silicon have tunable interactions with nuclear spin baths and are first-order insensitive to magnetic noise at so-called clock-transitions (CTs). This system is therefore ideal for studying the quantum/classical nature of nuclear spin baths since the qubit-bath interaction strength determines the back-action on the baths and hence the adequacy of a classical noise model. We develop a Gaussian noise model with noise correlations determined by quantum calculations and compare the classical noise approximation to the full quantum bath theory. We experimentally test our model through dynamical decoupling sequence of up to 128 pulses, finding good agreement with simulations and measuring electron spin coherence times approaching one second - notably using natural silicon. Our theoretical and experimental study demonstrates that the noise from a nuclear spin bath is analogous to classical Gaussian noise if the back-action of the qubit on the bath is small compared to the internal bath dynamics, as is the case close to CTs. However, far from the CTs, the back-action of the central spin on the bath is such that the quantum model is required to accurately model spin decoherence.
Classical nature of nuclear spin noise near clock transitions of Bi donors in silicon
NASA Astrophysics Data System (ADS)
Ma, Wen-Long; Wolfowicz, Gary; Li, Shu-Shen; Morton, John J. L.; Liu, Ren-Bao
2015-10-01
Whether a quantum bath can be approximated as classical Gaussian noise is a fundamental issue in central spin decoherence and also of practical importance in designing noise-resilient quantum control. Spin qubits based on bismuth donors in silicon have tunable interactions with nuclear spin baths and are first-order insensitive to magnetic noise at so-called clock transitions (CTs). This system is therefore ideal for studying the quantum/classical Gaussian nature of nuclear spin baths since the qubit-bath interaction strength determines the back-action on the baths and hence the adequacy of a Gaussian noise model. We develop a Gaussian noise model with noise correlations determined by quantum calculations and compare the classical noise approximation to the full quantum bath theory. We experimentally test our model through a dynamical decoupling sequence of up to 128 pulses, finding good agreement with simulations and measuring electron spin coherence times approaching 1 s—notably using natural silicon. Our theoretical and experimental study demonstrates that the noise from a nuclear spin bath is analogous to classical Gaussian noise if the back-action of the qubit on the bath is small compared to the internal bath dynamics, as is the case close to CTs. However, far from the CTs, the back-action of the central spin on the bath is such that the quantum model is required to accurately model spin decoherence.
Spin Noise Detection of Nuclear Hyperpolarization at 1.2 K
Pöschko, Maria Theresia; Vuichoud, Basile; Milani, Jonas; Bornet, Aurélien; Bechmann, Matthias; Bodenhausen, Geoffrey; Jannin, Sami; Müller, Norbert
2015-01-01
We report proton spin noise spectra of a hyperpolarized solid sample of commonly used “DNP (dynamic nuclear polarization) juice” containing TEMPOL (4-hydroxy-2,2,6,6-tetramethylpiperidine N-oxide) and irradiated by a microwave field at a temperature of 1.2 K in a magnetic field of 6.7 T. The line shapes of the spin noise power spectra are sensitive to the variation of the microwave irradiation frequency and change from dip to bump, when the electron Larmor frequency is crossed, which is shown to be in good accordance with theory by simulations. Small but significant deviations from these predictions are observed, which can be related to spin noise and radiation damping phenomena that have been reported in thermally polarized systems. The non-linear dependence of the spin noise integral on nuclear polarization provides a means to monitor hyperpolarization semi-quantitatively without any perturbation of the spin system by radio frequency irradiation. PMID:26477605
Spin Noise Detection of Nuclear Hyperpolarization at 1.2?K.
Pöschko, Maria Theresia; Vuichoud, Basile; Milani, Jonas; Bornet, Aurélien; Bechmann, Matthias; Bodenhausen, Geoffrey; Jannin, Sami; Müller, Norbert
2015-12-01
We report proton spin noise spectra of a hyperpolarized solid sample of commonly used "DNP (dynamic nuclear polarization) juice" containing TEMPOL (4-hydroxy-2,2,6,6-tetramethylpiperidine N-oxide) and irradiated by a microwave field at a temperature of 1.2?K in a magnetic field of 6.7?T. The line shapes of the spin noise power spectra are sensitive to the variation of the microwave irradiation frequency and change from dip to bump, when the electron Larmor frequency is crossed, which is shown to be in good accordance with theory by simulations. Small but significant deviations from these predictions are observed, which can be related to spin noise and radiation damping phenomena that have been reported in thermally polarized systems. The non-linear dependence of the spin noise integral on nuclear polarization provides a means to monitor hyperpolarization semi-quantitatively without any perturbation of the spin system by radio frequency irradiation. PMID:26477605
Strongly polarizing weakly coupled 13C nuclear spins with optically pumped nitrogen-vacancy center
NASA Astrophysics Data System (ADS)
Wang, Ping; Liu, Bao; Yang, Wen
2015-11-01
Enhancing the polarization of nuclear spins surrounding the nitrogen-vacancy (NV) center in diamond has recently attracted widespread attention due to its various applications. Here we present an analytical formula that not only provides a clear physical picture for the recently observed polarization reversal of strongly coupled13C nuclei over a narrow range of magnetic field [H. J. Wang et al., Nat. Commun. 4, 1940 (2013)], but also demonstrates the possibility to strongly polarize weakly coupled13C nuclei. This allows sensitive magnetic field control of the 13C nuclear spin polarization for NMR applications and significant suppression of the 13C nuclear spin noise to prolong the NV spin coherence time.
Strongly polarizing weakly coupled 13C nuclear spins with optically pumped nitrogen-vacancy center
Wang, Ping; Liu, Bao; Yang, Wen
2015-01-01
Enhancing the polarization of nuclear spins surrounding the nitrogen-vacancy (NV) center in diamond has recently attracted widespread attention due to its various applications. Here we present an analytical formula that not only provides a clear physical picture for the recently observed polarization reversal of strongly coupled13C nuclei over a narrow range of magnetic field [H. J. Wang et al., Nat. Commun. 4, 1940 (2013)], but also demonstrates the possibility to strongly polarize weakly coupled13C nuclei. This allows sensitive magnetic field control of the 13C nuclear spin polarization for NMR applications and significant suppression of the 13C nuclear spin noise to prolong the NV spin coherence time. PMID:26521962
Theory of nuclear spin dephasing and relaxation by optically illuminated nitrogen-vacancy center
NASA Astrophysics Data System (ADS)
Wang, Ping; Yang, Wen
2015-11-01
Dephasing and relaxation of the nuclear spins coupled to the nitrogen-vacancy (NV) center during optical initialization and readout is an important issue for various applications of this hybrid quantum register. Here we present both an analytical description and a numerical simulation for this process, which agree reasonably with the experimental measurements. For an NV center under cyclic optical transition, our analytical formulas not only provide a clear physical picture, but also allow control of the nuclear spin dissipation by tuning an external magnetic field. For more general optical pumping, our analytical formulas reveal a significant contribution to the nuclear spin dissipation due to electron random hopping into/out of the m = 0 (or m=+/- 1) subspace. This contribution is not suppressed, even under saturated optical pumping and/or vanishing magnetic field, thus providing a possible solution to the puzzling observation of nuclear spin dephasing in zero perpendicular magnetic field Dutt et al (2007 Science 316 1312). It also implies that enhancing the degree of optical spin polarization of the nitrogen-vacancy center can reduce the effect of optically induced nuclear spin dissipation.
Theory of nuclear spin dephasing and relaxation by optically illuminated nitrogen-vancy center
Ping Wang; Wen Yang
2015-07-23
Dephasing and relaxation of the nuclear spins coupled to the nitrogen-vacancy (NV) center during optical initialization and readout is an important issue for various applications of this hybrid quantum register. Here we present both an analytical description and a numerical simulation for this process, which agree reasonably with the experimental measurements. For the NV center under cyclic optical transition, our analytical formula not only provide a clear physics picture, but also allows controlling the nuclear spin dissipation by tuning an external magnetic field. For more general optical pumping, our analytical formula reveals significant contribution to the nuclear spin dissipation due to electron random hopping into/out of the $m=0$ (or $m=\\pm1$) subspace. This contribution is not suppressed even under saturated optical pumping and/or vanishing magnetic field, thus providing a possible solution to the puzzling observation of nuclear spin dephasing in zero perpendicular magnetic field [M. V. G. Dutt \\textit{et al}., Science \\textbf{316}, 1312 (2007)]. It also implies that enhancing the degree of spin polarization of the nitrogen-vacancy center can reduce the effect of optical induced nuclear spin dissipation.
NASA Astrophysics Data System (ADS)
Adelnia, Fatemeh; Mariani, Manuel; Ammannato, Luca; Caneschi, Andrea; Rovai, Donella; Winpenny, Richard; Timco, Grigore; Corti, Maurizio; Lascialfari, Alessandro; Borsa, Ferdinando
2015-05-01
We present the room temperature proton nuclear magnetic resonance (NMR) nuclear spin-lattice relaxation rate (NSLR) results in two 1D spin chains: the Heisenberg antiferromagnetic (AFM) Eu(hfac)3NITEt and the magnetically frustrated Gd(hfac)3NITEt. The NSLR as a function of external magnetic field can be interpreted very well in terms of high temperature spin dynamics dominated by a long time persistence of the decay of the two-spin correlation function due to the conservation of the total spin value for isotropic Heisenberg chains. The high temperature spin dynamics are also investigated in Heisenberg AFM molecular rings. In both Cr8 closed ring and in Cr7Cd and Cr8Zn open rings, i.e., model systems for a finite spin segment, an enhancement of the low frequency spectral density is found consistent with spin diffusion but the high cut-off frequency due to intermolecular anisotropic interactions prevents a detailed analysis of the spin diffusion regime.
Nuclear-electronic spin systems, magnetic resonance, and quantum information processing
M. H. Mohammady
2013-05-04
A promising platform for quantum information processing is that of silicon impurities, where the quantum states are manipulated by magnetic resonance. Such systems, in abstraction, can be considered as a nucleus of arbitrary spin coupled to an electron of spin one-half via an isotropic hyperfine interaction. We therefore refer to them as "nuclear-electronic spin systems". The traditional example, being subject to intensive experimental studies, is that of phosphorus doped silicon (Si:P) which couples a spin one-half electron to a nucleus of the same spin, with a hyperfine strength of 117.5 MHz. More recently, bismuth doped silicon (Si:Bi) has been suggested as an alternative instantiation of nuclear-electronic spin systems, differing from Si:P by its larger nuclear spin and hyperfine strength of 9/2 and 1.4754 GHz respectively. The aim of this thesis has been to develop a model that is capable of predicting the magnetic resonance properties of nuclear-electronic spin systems. The theoretical predictions of this model have been tested against experimental data collected on Si:Bi at 4.044 GHz, and have proven quite successful. Furthermore, the larger nuclear spin and hyperfine strength of Si:Bi, compared with that of Si:P, are predicted to offer advantages for quantum information processing. Most notable amongst these is that magnetic field-dependent two-dimensional decoherence free subspaces, called optimal working points, have been identified to exist in Si:Bi, but not Si:P.
Loss, Daniel
. By virtue of these effects, the intramolecular hyper- fine contact interaction induces the nuclearLETTERS PUBLISHED ONLINE: 30 JANUARY 2011 | DOI: 10.1038/NPHYS1883 Electric-field-induced nuclear made of identical nuclei of non-zero spin exist in nuclear-spin modifications, and the interconversion
Weise, Wolfram
Spin-asymmetry energy of nuclear matter N. Kaiser Physik-Department T39, Technische Universität the density-dependent spin-asymmetry energy S kf of isospin-symmetric nuclear matter in the three of freedom in the description of the nuclear many- body dynamics. The contributions to the energy per
Coherent storage of microwave excitations in rare-earth nuclear spins.
Wolfowicz, Gary; Maier-Flaig, Hannes; Marino, Robert; Ferrier, Alban; Vezin, Hervé; Morton, John J L; Goldner, Philippe
2015-05-01
Interfacing between various elements of a computer--from memory to processors to long range communication--will be as critical for quantum computers as it is for classical computers today. Paramagnetic rare-earth doped crystals, such as Nd(3+):Y2SiO5(YSO), are excellent candidates for such a quantum interface: they are known to exhibit long optical coherence lifetimes (for communication via optical photons), possess a nuclear spin (memory), and have in addition an electron spin that can offer hybrid coupling with superconducting qubits (processing). Here we study two of these three elements, demonstrating coherent storage and retrieval between electron and (145)Nd nuclear spin states in Nd(3+):YSO. We find nuclear spin coherence times can reach 9 ms at ?5??K, about 2 orders of magnitude longer than the electron spin coherence, while quantum state and process tomography of the storage or retrieval operation between the electron and nuclear spin reveal an average state fidelity of 0.86. The times and fidelities are expected to further improve at lower temperatures and with more homogeneous radio-frequency excitation. PMID:25978214
Separation and conversion dynamics of nuclear-spin isomers of gaseous methanol.
Sun, Zhen-Dong; Ge, Meihua; Zheng, Yujun
2015-01-01
All symmetrical molecules with non-zero nuclear spin exist in nature as nuclear-spin isomers (NSIs). However, owing to the lack of experimental information, knowledge is rare about interconversions of NSIs of gaseous molecules with torsional symmetry. Here we report our separation and conversion observations on NSI-torsion-specific transition systems of gaseous methanol from a light-induced drift experiment involving partially spatial separation of the ortho and para isomers. We find that vibrationally excited molecules of the methanol spin isomer have a smaller collision cross-section than their ground-state counterparts. Interconversion of the enriched ortho isomer with the para isomer, which is generally considered improbable, has been quantitatively studied by sensitive detections of the spectral intensities. Rather counterintuitively, this reveals that the interconversion is inhibited with increasing pressure. Our results suggest that the spin conversion mechanism in methanol is via a quantum relaxation process with the quantum Zeno effect induced by molecular collisions. PMID:25880882
Separation and conversion dynamics of nuclear-spin isomers of gaseous methanol
NASA Astrophysics Data System (ADS)
Sun, Zhen-Dong; Ge, Meihua; Zheng, Yujun
2015-04-01
All symmetrical molecules with non-zero nuclear spin exist in nature as nuclear-spin isomers (NSIs). However, owing to the lack of experimental information, knowledge is rare about interconversions of NSIs of gaseous molecules with torsional symmetry. Here we report our separation and conversion observations on NSI-torsion-specific transition systems of gaseous methanol from a light-induced drift experiment involving partially spatial separation of the ortho and para isomers. We find that vibrationally excited molecules of the methanol spin isomer have a smaller collision cross-section than their ground-state counterparts. Interconversion of the enriched ortho isomer with the para isomer, which is generally considered improbable, has been quantitatively studied by sensitive detections of the spectral intensities. Rather counterintuitively, this reveals that the interconversion is inhibited with increasing pressure. Our results suggest that the spin conversion mechanism in methanol is via a quantum relaxation process with the quantum Zeno effect induced by molecular collisions.
Separation and conversion dynamics of nuclear-spin isomers of gaseous methanol
Sun, Zhen-Dong; Ge, Meihua; Zheng, Yujun
2015-01-01
All symmetrical molecules with non-zero nuclear spin exist in nature as nuclear-spin isomers (NSIs). However, owing to the lack of experimental information, knowledge is rare about interconversions of NSIs of gaseous molecules with torsional symmetry. Here we report our separation and conversion observations on NSI-torsion-specific transition systems of gaseous methanol from a light-induced drift experiment involving partially spatial separation of the ortho and para isomers. We find that vibrationally excited molecules of the methanol spin isomer have a smaller collision cross-section than their ground-state counterparts. Interconversion of the enriched ortho isomer with the para isomer, which is generally considered improbable, has been quantitatively studied by sensitive detections of the spectral intensities. Rather counterintuitively, this reveals that the interconversion is inhibited with increasing pressure. Our results suggest that the spin conversion mechanism in methanol is via a quantum relaxation process with the quantum Zeno effect induced by molecular collisions. PMID:25880882
NASA Astrophysics Data System (ADS)
Mance, Deni; Gast, Peter; Huber, Martina; Baldus, Marc; Ivanov, Konstantin L.
2015-06-01
We develop a theoretical description of Dynamic Nuclear Polarization (DNP) in solids under Magic Angle Spinning (MAS) to describe the magnetic field dependence of the DNP effect. The treatment is based on an efficient scheme for numerical solution of the Liouville-von Neumann equation, which explicitly takes into account the variation of magnetic interactions during the sample spinning. The dependence of the cross-effect MAS-DNP on various parameters, such as the hyperfine interaction, electron-electron dipolar interaction, microwave field strength, and electron spin relaxation rates, is analyzed. Electron spin relaxation rates are determined by electron paramagnetic resonance measurements, and calculations are compared to experimental data. Our results suggest that the observed nuclear magnetic resonance signal enhancements provided by MAS-DNP can be explained by discriminating between "bulk" and "core" nuclei and by taking into account the slow DNP build-up rate for the bulk nuclei.
Thurber, Kent R. Tycko, Robert
2014-05-14
We report solid state {sup 13}C and {sup 1}H nuclear magnetic resonance (NMR) experiments with magic-angle spinning (MAS) on frozen solutions containing nitroxide-based paramagnetic dopants that indicate significant perturbations of nuclear spin polarizations without microwave irradiation. At temperatures near 25 K, {sup 1}H and cross-polarized {sup 13}C NMR signals from {sup 15}N,{sup 13}C-labeled L-alanine in trinitroxide-doped glycerol/water are reduced by factors as large as six compared to signals from samples without nitroxide doping. Without MAS or at temperatures near 100 K, differences between signals with and without nitroxide doping are much smaller. We attribute most of the reduction of NMR signals under MAS near 25 K to nuclear spin depolarization through the cross-effect dynamic nuclear polarization mechanism, in which three-spin flips drive nuclear polarizations toward equilibrium with spin polarization differences between electron pairs. When T{sub 1e} is sufficiently long relative to the MAS rotation period, the distribution of electron spin polarization across the nitroxide electron paramagnetic resonance lineshape can be very different from the corresponding distribution in a static sample at thermal equilibrium, leading to the observed effects. We describe three-spin and 3000-spin calculations that qualitatively reproduce the experimental observations.
Nuclear spin-spin coupling anisotropy in the van der Waals-bonded 129Xe dimer.
Jokisaari, Jukka; Vaara, Juha
2013-07-21
The spin-spin coupling constant, J, in the van der Waals-bonded (129)Xe-(129)Xe dimer cannot be determined experimentally because of the magnetic equivalence of the two nuclei. In contrast, the anisotropy of the coupling tensor, ?J, can be obtained from the so called effective dipole-dipole coupling determined in a solid state inclusion compound whose cages accommodate two xenon atoms. For the determination of the experimental ?J((129)Xe, (129)Xe) we exploited the data reported earlier in this journal. [D. H. Brouwer et al., Phys. Chem. Chem. Phys., 2007, 9, 1093.] The experimental value and the value obtained from relativistic first-principles computation are in perfect agreement. To the best of our knowledge this is the first investigation of spin-spin coupling anisotropy in a van der Waals-bonded system. PMID:23743998
Interaction of Strain and Nuclear Spins in Silicon: Quadrupolar Effects on Ionized Donors
NASA Astrophysics Data System (ADS)
Franke, David P.; Hrubesch, Florian M.; Künzl, Markus; Becker, Hans-Werner; Itoh, Kohei M.; Stutzmann, Martin; Hoehne, Felix; Dreher, Lukas; Brandt, Martin S.
2015-07-01
The nuclear spins of ionized donors in silicon have become an interesting quantum resource due to their very long coherence times. Their perfect isolation, however, comes at a price, since the absence of the donor electron makes the nuclear spin difficult to control. We demonstrate that the quadrupolar interaction allows us to effectively tune the nuclear magnetic resonance of ionized arsenic donors in silicon via strain and determine the two nonzero elements of the S tensor linking strain and electric field gradients in this material to S11=1.5 ×1022 V /m2 and S44=6 ×1022 V /m2 . We find a stronger benefit of dynamical decoupling on the coherence properties of transitions subject to first-order quadrupole shifts than on those subject to only second-order shifts and discuss applications of quadrupole physics including mechanical driving of magnetic resonance, cooling of mechanical resonators, and strain-mediated spin coupling.
Synthesis of carbon-13 enriched disaccharides: lactose and sucrose
Walker, T.E.; Unkefer, P.J.; Unkefer, C.J.; Ehler, D.S.
1986-05-01
Disaccharides can be prepared enzymatically and by chemical synthesis. Lactose enriched with carbon-13 at C-1 can be synthesized by reacting K/sup 13/CN with a sugar having a one fewer carbon than the desired product. Thus, a mixture of 4-O-..beta..-D-galactopyranosyl-D-(1-/sup 13/C)glucose ((1-/sup 13/C)lactose) and 4-O-..beta..-D-galactopyranosyl-D-(1-/sup 13/C)mannose can be synthesized from 3-O-..beta..-D-galactopyranosyl-D-arabinose and K/sup 13/CN. (/sup 13/C)Sucrose is conveniently prepared in gram quantities from D-(/sup 13/C)fructose and UDP-glucose in a reaction catalyzed by the enzyme sucrose synthetase. This reaction proceeds smoothly at 25/sup 0/ over a period of hours to give an equilibrium mixture which can be separated chromatographically. The glucose portion of sucrose can be labeled using enzymatically-prepared UDP-(/sup 13/C)glucose. Labeled sucrose is important for the preparation of labeled starches to be used for structural and metabolic studies.
Effect of nuclear spin symmetry in cold and ultracold reactions: D + para/ortho-H$_2$
I. Simbotin; R. Côté
2015-05-12
We report results for reaction and vibrational quenching of the collision D with para-H$_2$($v,j=0$) and ortho-H$_2$($v,j=1$) at cold and ultracold temperatures. We investigate the effect of nuclear spin symmetry for barrier dominated processes ($0\\le v\\le 4$) and for one barrierless case ($v=5$). We find resonant structures for energies in the range corresponding to 0.01--10 K, which depend on the nuclear spin of H$_2$, arising from contributions of specific partial waves. We discuss the implications on the results in this benchmark system for ultracold chemistry.
Effect of nuclear spin symmetry in cold and ultracold reactions: D + para/ortho-H2
NASA Astrophysics Data System (ADS)
Simbotin, Ionel; Côté, Robin
2015-06-01
We report results for reaction and vibrational quenching of the collision D with para-H2(v,j=0) and ortho-H2(v,j=1) at cold and ultracold temperatures. We investigate the effect of nuclear spin symmetry for barrier dominated processes (0?slant v?slant 4) and for one barrierless case (v = 5). We find resonant structures for energies in the range corresponding to 0.01-10 K, which depend on the nuclear spin of H2, arising from contributions of specific partial waves. We discuss the implications on the results in this benchmark system for ultracold chemistry.
Simultaneous sub-second hyperpolarization of the nuclear and electron spins of phosphorus in silicon
A. Yang; M. Steger; T. Sekiguchi; M. L. W. Thewalt; T. D. Ladd; K. M. Itoh; H. Riemann; N. V. Abrosimov; P. Becker; H. -J. Pohl
2009-08-12
We demonstrate a method which can hyperpolarize both the electron and nuclear spins of 31P donors in Si at low field, where both would be essentially unpolarized in equilibrium. It is based on the selective ionization of donors in a specific hyperfine state by optically pumping donor bound exciton hyperfine transitions, which can be spectrally resolved in 28Si. Electron and nuclear polarizations of 90% and 76%, respectively, are obtained in less than a second, providing an initialization mechanism for qubits based on these spins, and enabling further ESR and NMR studies on dilute 31P in 28Si.
Dynamic Nuclear Spin Polarization in the Resonant Laser Excitation of an InGaAs Quantum Dot
Ludwig-Maximilians-Universität, München
] and negatively charged QDs [1012]. A particularly striking feature of resonant DNSP using the higher energy different energy level diagrams: for both charge states, the locking of the coupled electron- nuclear spinDynamic Nuclear Spin Polarization in the Resonant Laser Excitation of an InGaAs Quantum Dot A. Ho
Flatte, Michael E.
Electric Field Tunability of Nuclear and Electronic Spin Dynamics due to the Hyperfine Interaction) of the electronic and nuclear spin coherence times to small electric fields is predicted for both uniformly devices are based on precise control of the electronic charge distribution using electric fields, ignoring
Nuclear spin-orbit interaction from chiral pion-nucleon dynamics
N. Kaiser
2002-06-24
Using the two-loop approximation of chiral perturbation theory, we calculate the momentum and density dependent nuclear spin-orbit strength $U_{ls}(p,k_f)$. This quantity is derived from the spin-dependent part of the interaction energy $\\Sigma_{spin} = {i\\over 2} \\vec \\sigma \\cdot (\\vec q \\times\\vec p) U_{ls}(p,k_f)$ of a nucleon scattering off weakly inhomogeneous isospin symmetric nuclear matter. We find that iterated $1\\pi$-exchange generates at saturation density, $k_{f0}=272.7 $MeV, a spin-orbit strength at $p=0$ of $U_{ls}(0,k_{f0})\\simeq 35$ MeVfm$^2$ in perfect agreement with the empirical value used in the shell model. This novel spin-orbit strength is neither of relativistic nor of short range origin. The potential $V_{ls}$ underlying the empirical spin-orbit strength $\\widetilde U_{ls}= V_{ls} r_{ls}^2$ becomes a rather weak one, $V_{ls}\\simeq 17$ MeV, after the identification $r_{ls}= m_\\pi^{-1}$ as suggested by the present calculation. We observe however a strong $p$-dependence of $U_{ls}(p,k_{f0})$ leading even to a sign change above $p=200 $MeV. This and other features of the emerging spin-orbit Hamiltonian which go beyond the usual shell model parametrization leave questions about the ultimate relevance of the spin-orbit interaction generated by $2\\pi$-exchange for a finite nucleus. We also calculate the complex-valued isovector single-particle potential $U_I(p,k_f)+ i W_I(p,k_f)$ in isospin asymmetric nuclear matter proportional to $\\tau_3 (N-Z)/(N+Z)$. For the real part we find reasonable agreement with empirical values and the imaginary part vanishes at the Fermi-surface $p=k_f$.
NMR Investigation of Optical Polarization of Nuclear Spins in GaAs
NASA Astrophysics Data System (ADS)
Paravastu, Anant; Hayes, Sophia; Schwickert, Birgit; Reimer, Jeffrey; Dinh, Long; Balooch, Mehdi
2003-03-01
Light-induced nuclear spin alignments have been measured in GaAs as a function of photon energy, irradiation time, and sample temperature using NMR spectroscopy at 9.4 Tesla and 10 to 50 K. Significant optical enhancements were observed at a range of photon energies, starting just below the band gap and persisting through 100 meV above the gap. Irradiation above the band gap resulted in thermally activated NMR signal enhancements while sub band gap irradiation did not. Short and long irradiation time dependencies revealed insights into the nature of cross relaxation between electronic nuclear spins, contradicting mechanisms based on either localized electron-nuclear contact at defect sites or cross relaxation between nuclei and free electrons. We propose that the presence of a mobile or delocalized enabling electronic species characterized by a long electron-nuclear correlation time, such as an exciton, is necessary in any mechanism which explains the data.
Bordbar, G. H.; Bigdeli, M.
2008-01-15
In this paper, we calculate properties of the spin polarized asymmetrical nuclear matter and neutron star matter, using the lowest order constrained variational (LOCV) method with the AV{sub 18}, Reid93, UV{sub 14}, and AV{sub 14} potentials. According to our results, the spontaneous phase transition to a ferromagnetic state in the asymmetrical nuclear matter as well as neutron star matter do not occur.
Splitting of the one-body potential in spin-polarized isospin-symmetric nuclear matter
Sammarruca, Francesca
2010-08-15
Spin-polarized symmetric nuclear matter is studied within the Dirac-Brueckner-Hartree-Fock approach. We pay particular attention to the difference between the one-body potentials of upward and downward polarized nucleons. This is formally analogous to the Lane potential for isospin-asymmetric nuclear matter. We point out the necessity for additional information on this fundamentally important quantity and suggest ways to constrain it.
Coherent storage of microwave excitations in rare-earth nuclear spins
Gary Wolfowicz; Hannes Maier-Flaig; Robert Marino; Alban Ferrier; Hervé Vezin; John J. L. Morton; Philippe Goldner
2014-12-23
Interfacing between various elements of a computer - from memory to processors to long range communication - will be as critical for quantum computers as it is for classical computers today. Paramagnetic rare earth doped crystals, such as Nd$^{3+}$:Y$_2$SiO$_5$ (YSO), are excellent candidates for such a quantum interface: they are known to exhibit long optical coherence lifetimes (for communication via optical photons), possess a nuclear spin (memory) and have in addition an electron spin that can offer hybrid coupling with superconducting qubits (processing). Here we study two of these three elements, demonstrating coherent storage and retrieval between electron and $^{145}$Nd nuclear spin states in Nd$^{3+}$:YSO. We find nuclear spin coherence times can reach 9 ms at $\\approx 5$ K, about two orders of magnitude longer than the electron spin coherence, while quantum state and process tomography of the storage/retrieval operation reveal an average state fidelity of 0.86. The times and fidelities are expected to further improve at lower temperatures and with more homogeneous radio-frequency excitation.
Nuclear-Powered Millisecond Pulsars and the Maximum Spin Frequency of Neutron Stars
Deepto Chakrabarty; Edward H. Morgan; Michael P. Muno; Duncan K. Galloway; Rudy Wijnands; Michiel van der Klis; Craig B. Markwardt
2003-07-01
Millisecond pulsars are neutron stars (NSs) that are thought to have been spun-up by mass accretion from a stellar companion. It is unknown whether there is a natural brake for this process, or if it continues until the centrifugal breakup limit is reached at submillisecond periods. Many NSs that are accreting from a companion exhibit thermonuclear X-ray bursts that last tens of seconds, caused by unstable nuclear burning on their surfaces. Millisecond brightness oscillations during bursts from ten NSs (as distinct from other rapid X-ray variability that is also observed) are thought to measure the stellar spin, but direct proof of a rotational origin has been lacking. Here, we report the detection of burst oscillations at the known spin frequency of an accreting millisecond pulsar, and we show that these oscillations always have the same rotational phase. This firmly establishes burst oscillations as nuclear-powered pulsations tracing the spin of accreting NSs, corroborating earlier evidence. The distribution of spin frequencies of the 11 nuclear-powered pulsars cuts off well below the breakup frequency for most NS models, supporting theoretical predictions that gravitational radiation losses can limit accretion torques in spinning up millisecond pulsars.
Coherent population trapping of a single nuclear spin under ambient conditions
P. Jamonneau; G. Hétet; A. Dréau; J. -F. Roch; V. Jacques
2015-08-31
Coherent control of quantum systems has far-reaching implications in quantum engineering. In this context, coherent population trapping (CPT) involving dark resonances has played a prominent role, leading to a wealth of major applications including laser cooling of atoms and molecules, optical magnetometry, light storage and highly precise atomic clocks. Extending CPT methods to individual solid-state quantum systems has been only achieved in cryogenic environments for electron spin impurities and superconducting circuits. Here, we demonstrate efficient CPT of a single nuclear spin in a room temperature solid. To this end, we make use of a three-level system with a $\\Lambda$-configuration in the microwave domain, which consists of nuclear spin states addressed through their hyperfine coupling to the electron spin of a single nitrogen-vacancy defect in diamond. Dark state pumping requires a relaxation mechanism which, in atomic systems, is simply provided by spontaneous emission. In this work, the relaxation process is externally controlled through incoherent optical pumping and separated in time from consecutive coherent microwave excitations of the nuclear spin $\\Lambda$-system. Such a pumping scheme with controlled relaxation allows us (i) to monitor the sequential accumulation of population into the dark state and (ii) to reach a new regime of CPT dynamics for which periodic arrays of dark resonances can be observed, owing to multiple constructive interferences. This work offers new prospects for quantum state preparation, information storage in hybrid quantum systems and metrology.
Compilation of directly measured nuclear spins of ground states and long-lived isomers
MacDonald, Allison; Karamy, Babak; Setoodehnia, Kiana; Singh, Balraj
2013-02-15
A compilation of the nuclear spins of ground and isomeric states measured by direct methods is presented. The first compilation of direct measurements of nuclear spins and moments was published in 1976 (G. H. Fuller, J. Phys. Chem. Ref. Data 5, 835, (1976)) with literature covered up to 1974. To our knowledge, the present work is the first such compilation since then. It is anticipated that the area of direct spin measurement will continue to expand using the state-of-the-art radioactive ion-beam and laser techniques. Literature cutoff date for the present compilation is February 2013. It is intended that the present compilation will be kept updated in a timely manner.
Vasileia Filidou; Davide Ceresoli; John J. L. Morton; Feliciano Giustino
2012-01-27
The study of hyperfine interactions in optically excited fullerenes has recently acquired importance within the context of nuclear spin entanglement for quantum information technology. We here report a first-principles pseudopotential study of the hyperfine coupling parameters of optically excited fullerene derivatives as well as small organic radicals. The calculations are performed within the gauge-invariant projector-augmented wave method [C. Pickard and F. Mauri, Phys. Rev. B. 63, 245101 (2001)]. In order to establish the accuracy of this methodology we compare our results with all-electron calculations and with experiment. In the case of fullerene derivatives we study the hyperfine coupling in the spin-triplet exciton state and compare our calculations with recent electron paramagnetic resonance measurements [M. Schaffry et al., Phys. Rev. Lett. 104, 200501 (2010)]. We discuss our results in light of a recent proposal for entangling remote nuclear spins in photo-excited chromophores.
Ortho-Para Mixing Hyperfine Interaction in the H2O+ Nuclear Spin Equilibration
Oka, Takeshi
Ortho-Para Mixing Hyperfine Interaction in the H2O+ Ion and Nuclear Spin Equilibration Keiichi, United States *S Supporting Information ABSTRACT: The ortho to para conversion of water ion, H2O+ , due higher for H2O+ than for its neutral counterpart H2O where the magnetic field interacting with proton
The nuclear spin-isospin response to quasifree nucleon scattering
Taddeucci, T.N.
1995-12-31
The Neutron-Time-of-Flight (NTOF) facility at LAMPF has been used to measure complete sets of polarization-transfer coefficients for quasifree ({rvec p},{rvec n}) scattering from {sup 2}H, {sup 12}C, and {sup 40}Ca at 494 MeV and scattering angles of 12.5{degrees}, 18{degrees}, and 27{degrees} (q = 1.2, 1.7, 2.5 fm{sup {minus}1}). These measurements yield separated transverse ({sigma} {times} q) and longitudinal ({sigma}{center_dot}q) isovector spin responses. Comparison of the separated responses to calculations and to electron-scattering responses reveals a strong enhancement in the spin transverse channel. This excess transverse strength masks the effect of pionic correlations in the response ratio.
Preserving hyperpolarised nuclear spin order to study cancer metabolism
Marco-Rius, Irene
2014-06-10
pyruvate hydrate peak / area under pyruvate peak) with initial pyruvic acid concentration and pH. . . . . . . . . . . . . . . . . . . . . 107 4.1 Molecular structure and spin topology, showing J-couplings, of [1,4-13C2]fumarate. 110 4.2 90? pulse... %. 97 4.1 Measured scalar coupling constants for fumarate. . . . . . . . . . . . . . . . . . . . 110 4.2 Longitudinal (T1) and transverse (T2) relaxation time constants of fumaric acid. . 126 4.3 1H relaxation time constants measurements of fumarate...
Zelevinsky, Tanya
Nuclear spin effects in optical lattice clocks Martin M. Boyd, Tanya Zelevinsky, Andrew D. Ludlow study of the effect of nuclear spin on the performance of optical lattice clocks. With a state polarization are discussed as a method to reduce the nuclear spin-related systematic effects to below 10
Coherent transfer of nuclear spin polarization in field-cycling NMR experiments
Pravdivtsev, Andrey N.; Yurkovskaya, Alexandra V.; Ivanov, Konstantin L.; Vieth, Hans-Martin
2013-12-28
Coherent polarization transfer effects in a coupled spin network have been studied over a wide field range. The transfer mechanism is based on exciting zero-quantum coherences between the nuclear spin states by means of non-adiabatic field jump from high to low magnetic field. Subsequent evolution of these coherences enables conversion of spin order in the system, which is monitored after field jump back to high field. Such processes are most efficient when the spin system passes through an avoided level crossing during the field variation. The polarization transfer effects have been demonstrated for N-acetyl histidine, which has five scalar coupled protons; the initial spin order has been prepared by applying RF-pulses at high magnetic field. The observed oscillatory transfer kinetics is taken as a clear indication of a coherent mechanism; level crossing effects have also been demonstrated. The experimental data are in very good agreement with the theoretical model of coherent polarization transfer. The method suggested is also valid for other types of initial polarization in the spin system, most notably, for spin hyperpolarization.
Solid effect in magic angle spinning dynamic nuclear polarization
Smith, Albert A.
For over five decades, the solid effect (SE) has been heavily utilized as a mechanism for performing dynamic nuclear polarization (DNP). Nevertheless, it has not found widespread application in contemporary, high magnetic ...
Quantum-Bath Decoherence of Hybrid Electron-Nuclear Spin Qubits
S. J. Balian
2015-10-30
A major problem facing the realisation of scalable solid-state quantum computing is that of overcoming decoherence - the process whereby phase information encoded in a qubit is lost as the qubit interacts with its environment. Due to the vast number of environmental degrees of freedom, it is challenging to accurately calculate decoherence times $T_2$, especially when the qubit and environment are highly correlated. Hybrid or mixed electron-nuclear spin qubits, such as donors in silicon, possess 'optimal working points' (OWPs) which are sweet-spots for reduced decoherence in magnetic fields. Analysis of sharp variations of $T_2$ near OWPs was previously based on insensitivity to classical noise, even though hybrid qubits are situated in highly correlated quantum environments, such as the nuclear spin bath of $^{29}$Si impurities. This presented limited understanding of the decoherence mechanism and gave unreliable predictions for $T_2$. I present quantum many-body calculations of the qubit-bath dynamics, which (i) yield $T_2$ for hybrid qubits in excellent agreement with experiments in multiple regimes, (ii) elucidate the many-body nature of the nuclear spin bath and (iii) expose significant differences between quantum-bath and classical-field decoherence. To achieve these, the cluster correlation expansion was adapted to include electron-nuclear state mixing. In addition, an analysis supported by experiment was carried out to characterise the nuclear spin bath for a bismuth donor as the hybrid qubit, a simple analytical formula for $T_2$ was derived with predictions in agreement with experiment, and the established method of dynamical decoupling was combined with operating near OWPs in order to maximise $T_2$. Finally, the decoherence of a $^{29}$Si spin in proximity to the hybrid qubit was studied, in order to establish the feasibility for its use as a quantum register.
NASA Astrophysics Data System (ADS)
Shu, Lei; Maclaughlin, D. E.; Aoki, Y.; Tunashima, Y.; Yonezawa, Y.; Sanada, S.; Kikuchi, D.; Sato, H.; Heffner, R. H.; Higemoto, W.; Ohishi, K.; Ito, T. U.; Bernal, O. O.; Hillier, A. D.; Kadono, R.; Koda, A.; Ishida, K.; Sugawara, H.; Frederick, N. A.; Yuhasz, W. M.; Sayles, T. A.; Yanagisawa, T.; Maple, M. B.
2007-07-01
Zero- and longitudinal-field muon spin relaxation experiments have been carried out in the alloy series Pr(Os1-xRux)4Sb12 and Pr1-yLayOs4Sb12 to elucidate the anomalous dynamic muon spin relaxation observed in these materials. The damping rate ? associated with this relaxation varies with temperature, applied magnetic field, and dopant concentrations x and y in a manner consistent with the “hyperfine enhancement” of Pr141 nuclear spins first discussed by Bleaney [Physica (Utrecht) 69, 317 (1973)]. This mechanism arises from Van Vleck-like admixture of magnetic Pr3+ crystalline-electric-field-split excited states into the nonmagnetic singlet ground state by the nuclear hyperfine coupling, thereby increasing the strengths of spin-spin interactions between Pr141 and muon spins and within the Pr141 spin system. We find qualitative agreement with this scenario and conclude that electronic spin fluctuations are not directly involved in the dynamic muon spin relaxation.
Relativistic Force Field: Parametrization of (13)C-(1)H Nuclear Spin-Spin Coupling Constants.
Kutateladze, Andrei G; Mukhina, Olga A
2015-11-01
Previously, we reported a reliable DU8 method for natural bond orbital (NBO)-aided parametric scaling of Fermi contacts to achieve fast and accurate prediction of proton-proton spin-spin coupling constants (SSCC) in (1)H NMR. As sophisticated NMR experiments for precise measurements of carbon-proton SSCCs are becoming more user-friendly and broadly utilized by the organic chemistry community to guide and inform the process of structure determination of complex organic compounds, we have now developed a fast and accurate method for computing (13)C-(1)H SSCCs. Fermi contacts computed with the DU8 basis set are scaled using selected NBO parameters in conjunction with empirical scaling coefficients. The method is optimized for inexpensive B3LYP/6-31G(d) geometries. The parametric scaling is based on a carefully selected training set of 274 ((3)J), 193 ((2)J), and 143 ((1)J) experimental (13)C-(1)H spin-spin coupling constants reported in the literature. The DU8 basis set, optimized for computing Fermi contacts, which by design had evolved from optimization of a collection of inexpensive 3-21G*, 4-21G, and 6-31G(d) bases, offers very short computational (wall) times even for relatively large organic molecules containing 15-20 carbon atoms. The most informative SSCCs for structure determination, i.e., (3)J, were computed with an accuracy of 0.41 Hz (rmsd). The new unified approach for computing (1)H-(1)H and (13)C-(1)H SSCCs is termed "DU8c". PMID:26414291
Nuclear orientation of radon isotopes by spin-exchange optical pumping
Kitano, M.; Calaprice, F.P.; Pitt, M.L.; Clayhold, J.; Happer, W.; Kadar-Kallen, M.; Musolf, M.; Ulm, G.; Wendt, K.; Chupp, T.
1988-05-23
This paper reports the first demonstration of nuclear orientation of radon atoms. The method employed was spin exchange with potassium atoms polarized by optical pumping. The radon isotopes were produced at the ISOLDE isotope separator of CERN. The nuclear alignment of /sup 209/Rn and /sup 223/Rn has been measured by observation of ..gamma..-ray anisotropies and the magnetic dipole moment for /sup 209/Rn has been measured by the nuclear-magnetic-resonance method to be chemically bond..mu..chemically bond = 0.838 81(39)..mu../sub N/.
Spin- and isospin-polarized states of nuclear matter in the Dirac-Brueckner-Hartree-Fock model
Francesca Sammarruca
2011-04-03
Spin-polarized isospin asymmetric nuclear matter is studied within the Dirac-Brueckner-Hartree-Fock approach. After a brief review of the formalism, we present and discuss the self-consistent single-particle potentials at various levels of spin and isospin asymmetry. We then move to predictions of the energy per particle, also under different conditions of isospin and spin polarization. Comparison with the energy per particle in isospin symmetric or asymmetric unpolarized nuclear matter shows no evidence for a phase transition to a spin ordered state, neither ferromagnetic nor antiferromagnetic.
Spin- and isospin-polarized states of nuclear matter in the Dirac-Brueckner-Hartree-Fock model
Sammarruca, Francesca
2011-06-15
Spin-polarized isospin asymmetric nuclear matter is studied within the Dirac-Brueckner-Hartree-Fock approach. After a brief review of the formalism, we present and discuss the self-consistent single-particle potentials at various levels of spin and isospin asymmetry. We then move to predictions of the energy per particle, also under different conditions of isospin and spin polarization. Comparison with the energy per particle in isospin symmetric or asymmetric unpolarized nuclear matter shows no evidence for a phase transition to a spin-ordered state, neither ferromagnetic nor antiferromagnetic.
Nuclear-Spin Relaxation in Two-Dimensional Metals at High Magnetic Fields: Hg3-?AsF6
NASA Astrophysics Data System (ADS)
Ehrenfreund, E.; Ron, A.; Weger, M.
1981-09-01
An unusual linear dependence of the nuclear-spin relaxation rate upon the magnetic field is observed in the incommensurate linear-chain mercury compound Hg3-?AsF6. It is shown that in two-dimensional metals the planar cyclotron motion of the conduction electrons in a strong magnetic field gives rise to a divergence of the spin-spin correlation function. This new effect, combined with the small orbits resulting from the incommensurate structure, can explain the observed nuclear-spin relaxation behavior in the pseudo two-dimensional metal Hg3-?AsF6.
Advances and applications of dynamic-angle spinning nuclear magnetic resonance
Baltisberger, J.H.
1993-06-01
This dissertation describes nuclear magnetic resonance experiments and theory which have been developed to study quadrupolar nuclei (those nuclei with spin greater than one-half) in the solid state. Primarily, the technique of dynamic-angle spinning (DAS) is extensively reviewed and expanded upon in this thesis. Specifically, the improvement in both the resolution (two-dimensional pure-absorptive phase methods and DAS angle choice) and sensitivity (pulse-sequence development), along with effective spinning speed enhancement (again through choice of DAS conditions or alternative multiple pulse schemes) of dynamic-angle spinning experiment was realized with both theory and experimental examples. The application of DAS to new types of nuclei (specifically the {sup 87}Rb and {sup 85}Rb nuclear spins) and materials (specifically amorphous solids) has also greatly expanded the possibilities of the use of DAS to study a larger range of materials. This dissertation is meant to demonstrate both recent advances and applications of the DAS technique, and by no means represents a comprehensive study of any particular chemical problem.
Disorder-enhanced nuclear spin relaxation at Landau level filling factor one
NASA Astrophysics Data System (ADS)
Guan, Tong; Benedikt, Friess; Li, Yong-Qing; Yan, Shi-Shen; Vladimir, Umansky; Klaus von, Klitzing; Jurgen, H. Smet
2015-06-01
The nuclear spin relaxation rate (1/T1) is measured for GaAs two-dimensional (2D) electron systems in the quantum Hall regime with an all-electrical technique for agitating and probing the nuclear spins. A “tilted plateau” feature is observed near the Landau level filling factor ? = 1 in 1/T1 versus ?. Both the width and magnitude of the plateau increase with decreasing electron density. At low temperatures, 1/T1 exhibits an Arrhenius temperature dependence within the tilted plateau regime. The extracted energy gaps are up to two orders of magnitude smaller than the corresponding charge transport gaps. These results point to a nontrivial mechanism for the disorder-enhanced nuclear spin relaxation, in which microscopic inhomogeneities play a key role for the low energy spin excitations related to skyrmions. Project supported by the National Basic Research Program of China (Grant Nos. 2012CB921703 and 2015CB921102), the National Natural Science Foundation of China (Grant Nos. 91121003, 11374337, and 61425015), the Chinese Academy of Sciences, the BMBF, and the German-Israel Foundation.
Atomic-scale nuclear spin imaging using quantum-assisted sensors in diamond
NASA Astrophysics Data System (ADS)
Ajoy, Ashok; Bissbort, Ulf; Liu, Yixiang; Marseglia, Luca; Saha, Kasturi; Cappellaro, Paola
2015-05-01
Recent developments in materials fabrication and coherent control have brought quantum magnetometers based on electronic spin defects in diamond close to single nuclear spin sensitivity. These quantum sensors have the potential to be a revolutionary tool in proteomics, thus helping drug discovery: They can overcome some of the challenges plaguing other experimental techniques (x-ray and NMR) and allow single protein reconstruction in their natural conditions. While the sensitivity of diamond-based magnetometers approaches the single nuclear spin level, the outstanding challenge is to resolve contributions arising from distinct nuclear spins in a dense sample and use the acquired signal to reconstruct their positions. This talk describes a strategy to boost the spatial resolution of NV-based magnetic resonance imaging, by combining the use of a quantum memory intrinsic to the NV system with Hamiltonian engineering by coherent quantum control. The proposed strategy promises to make diamond-based quantum sensors an invaluable technology for bioimaging, as they could achieve the reconstruction of biomolecules local structure without the need to crystallize them, to synthesize large ensembles or to alter their natural environment.
Microscopic control of $^{29}$Si nuclear spins near phosphorus donors in silicon
Järvinen, J; Ahokas, J; Sheludyakov, S; Vainio, O; Lehtonen, L; Vasiliev, S; Fujii, Y; Mitsudo, S; Mizusaki, T; Gwak, M; Lee, SangGap; Lee, Soonchil; Vlasenko, L
2014-01-01
Dynamic nuclear polarization of $^{29}$Si nuclei in resolved lattice sites near the phosphorus donors in natural silicon of has been created using the Overhauser and solid effects. Polarization has been observed as a pattern of well separated holes and peaks in the electron spin resonance line of the donor. The Overhauser effect in ESR hole burning experiments was used to manipulate the polarization of $^{29}$Si spins at ultra low (100-500 mK) temperatures and in high magnetic field of 4.6 T. Extremely narrow holes of 15 mG width were created after several seconds of pumping.
Natural reference for nuclear high-spin states
Rowley, Neil; Ollier, James; Simpson, John
2009-08-15
We suggest two new representations of the data on rotational nuclei. The first is reference-free and the second arises from a natural reference related to the variable moment of inertia model parameters of the ground-state band of the system. As such, neither representation contains any free parameters. By defining a 'configuration spin' we show how a new ground-state band reference can be applied. Its use allows a complete description of the changes associated with the first, and higher, band crossings. We apply these new representations to discuss the nature of the first band crossing along even-even isotopic chains in the erbium and osmium isotopes and to odd-even nuclei in the vicinity of {sup 158}Er.
Room-temperature high-speed nuclear-spin quantum memory in diamond
J. H. Shim; I. Niemeyer; J. Zhang; D. Suter
2013-01-03
Quantum memories provide intermediate storage of quantum information until it is needed for the next step of a quantum algorithm or a quantum communication process. Relevant figures of merit are therefore the fidelity with which the information can be written and retrieved, the storage time, and also the speed of the read-write process. Here, we present experimental data on a quantum memory consisting of a single $^{13}$C nuclear spin that is strongly coupled to the electron spin of a nitrogen-vacancy (NV) center in diamond. The strong hyperfine interaction of the nearest-neighbor carbon results in transfer times of 300 ns between the register qubit and the memory qubit, with an overall fidelity of 88 % for the write - storage - read cycle. The observed storage times of 3.3 ms appear to be limited by the T$_1$ relaxation of the electron spin. We discuss a possible scheme that may extend the storage time beyond this limit.
The Nuclear Spin-Orbit Force in Chiral Effective Field Theories
R. J. Furnstahl; John J. Rusnak; Brian D. Serot
1997-09-28
A compelling feature of relativistic mean-field phenomenology has been the reproduction of spin-orbit splittings in finite nuclei after fitting only to equilibrium properties of infinite nuclear matter. This successful result occurs when the velocity dependence of the equivalent central potential that leads to saturation arises primarily because of a reduced nucleon effective mass. The spin-orbit interaction is then also specified when one works in a four-component Dirac framework. Here the nature of the spin-orbit force in more general chiral effective field theories of nuclei is examined, with an emphasis on the role of the tensor coupling of the isoscalar vector meson (omega) to the nucleon.
Localization-delocalization transition in the dynamics of dipolar-coupled nuclear spins
NASA Astrophysics Data System (ADS)
Álvarez, Gonzalo A.; Suter, Dieter; Kaiser, Robin
2015-08-01
Nonequilibrium dynamics of many-body systems are important in many scientific fields. Here, we report the experimental observation of a phase transition of the quantum coherent dynamics of a three-dimensional many-spin system with dipolar interactions. Using nuclear magnetic resonance (NMR) on a solid-state system of spins at room-temperature, we quench the interaction Hamiltonian to drive the evolution of the system. Depending on the quench strength, we then observe either localized or extended dynamics of the system coherence. We extract the critical exponents for the localized cluster size of correlated spins and diffusion coefficient around the phase transition separating the localized from the delocalized dynamical regime. These results show that NMR techniques are well suited to studying the nonequilibrium dynamics of complex many-body systems.
Spin-dipole strength functions of 4He with realistic nuclear forces
NASA Astrophysics Data System (ADS)
Horiuchi, W.; Suzuki, Y.
2013-03-01
Both isoscalar and isovector spin-dipole excitations of 4He are studied using realistic nuclear forces in the complex scaling method. The ground state of 4He and discretized continuum states with J?=0-,1-,2- for A=4 nuclei are described in explicitly correlated Gaussians reinforced with global vectors for angular motion. Two- and three-body decay channels are specifically treated to take into account final state interactions. The observed resonance energies and widths of the negative-parity levels are all in fair agreement with those calculated from both the spin-dipole and electric-dipole strength functions as well as the energy eigenvalues of the complex scaled Hamiltonian. Spin-dipole sum rules, both non-energy-weighted and energy-weighted, are discussed in relation to tensor correlations in the ground state of 4He.
High-pressure Magic Angle Spinning Nuclear Magnetic Resonance
Hoyt, David W.; Turcu, Romulus VF; Sears, Jesse A.; Rosso, Kevin M.; Burton, Sarah D.; Felmy, Andrew R.; Hu, Jian Z.
2011-10-01
A high-pressure magic angle spinning (MAS) NMR capability, consisting of a reusable high-pressure MAS rotor, a high-pressure loading/reaction chamber for in situ sealing and re-opening of the high-pressure MAS rotor, and a MAS probe with a localized RF coil for background signal suppression, is reported. The unusual technical challenges associated with development of a reusable high-pressure MAS rotor are addressed in part by modifying standard ceramics for the rotor sleeve to include micro-groves at the internal surface at both ends of the cylinder. In this way, not only is the advantage of ceramic cylinders for withstanding very high-pressure utilized, but also plastic bushings can be glued tightly in place so that other plastic sealing mechanisms/components and O-rings can be mounted to create the desired high-pressure seal. Using this strategy, sealed internal pressures exceeding 150 bars have been achieved and sustained under ambient external pressure with minimal penetration loss of pressure for 72 hours. As an application example, in situ 13C MAS NMR studies of mineral carbonation reaction intermediates and final products of forsterite (Mg2SiO4) reacted with supercritical CO2 and H2O at 150 bar and 50?C are reported, with relevance to geological sequestration of carbon dioxide.
High-pressure magic angle spinning nuclear magnetic resonance.
Hoyt, David W; Turcu, Romulus V F; Sears, Jesse A; Rosso, Kevin M; Burton, Sarah D; Felmy, Andrew R; Hu, Jian Zhi
2011-10-01
A high-pressure magic angle spinning (MAS) NMR capability, consisting of a reusable high-pressure MAS rotor, a high-pressure rotor loading/reaction chamber for in situ sealing and re-opening of the high-pressure MAS rotor, and a MAS probe with a localized RF coil for background signal suppression, is reported. The unusual technical challenges associated with development of a reusable high-pressure MAS rotor are addressed in part by modifying standard ceramics for the rotor sleeve by abrading the internal surface at both ends of the cylinder. In this way, not only is the advantage of ceramic cylinders for withstanding very high-pressure utilized, but also plastic bushings can be glued tightly in place so that other removable plastic sealing mechanisms/components and O-rings can be mounted to create the desired high-pressure seal. Using this strategy, sealed internal pressures exceeding 150 bars have been achieved and sustained under ambient external pressure with minimal loss of pressure for 72 h. As an application example, in situ(13)C MAS NMR studies of mineral carbonation reaction intermediates and final products of forsterite (Mg(2)SiO(4)) reacted with supercritical CO(2) and H(2)O at 150 bar and 50°C are reported, with relevance to geological sequestration of carbon dioxide. PMID:21862372
Asymmetry and Spin-Orbit Effects in Binding Energy in the Effective Nuclear Surface Approximation
A. G. Magner; A. I. Sanzhur; A. M. Gzhebinsky
2008-12-19
Isoscalar and isovector particle densities are derived analytically by using the approximation of a sharp edged nucleus within the local energy density approach with the proton-neutron asymmetry and spin-orbit effects. Equations for the effective nuclear-surface shapes as collective variables are derived up to the higher order corrections in the form of the macroscopic boundary conditions. The analytical expressions for the isoscalar and isovector tension coefficients of the nuclear surface binding energy and the finite-size corrections to the $\\beta $ stability line are obtained.
Xiao, Yunlong; Zhang, Yong; Liu, Wenjian
2014-10-28
Both kinetically balanced (KB) and kinetically unbalanced (KU) rotational London orbitals (RLO) are proposed to resolve the slow basis set convergence in relativistic calculations of nuclear spin-rotation (NSR) coupling tensors of molecules containing heavy elements [Y. Xiao and W. Liu, J. Chem. Phys. 138, 134104 (2013)]. While they perform rather similarly, the KB-RLO Ansatz is clearly preferred as it ensures the correct nonrelativistic limit even with a finite basis. Moreover, it gives rise to the same “direct relativistic mapping” between nuclear magnetic resonance shielding and NSR coupling tensors as that without using the London orbitals [Y. Xiao, Y. Zhang, and W. Liu, J. Chem. Theory Comput. 10, 600 (2014)].
Diamond as a solid state quantum computer with a linear chain of nuclear spins system
G. V. López
2013-10-02
By removing a $^{12}C$ atom from the tetrahedral configuration of the diamond, replace it by a $^{13}C$ atom, and repeating this in a linear direction, it is possible to have a linear chain of nuclear spins one half and to build a solid state quantum computer. One qubit rotation and controlled-not (CNOT) quantum gates are obtained immediately from this configuration, and CNOT quantum gate is used to determined the design parameters of this quantum computer.
Obaid, Rana; Kinzel, Daniel; Oppel, Markus González, Leticia
2014-10-28
Despite the concept of nuclear spin isomers (NSIs) exists since the early days of quantum mechanics, only few approaches have been suggested to separate different NSIs. Here, a method is proposed to discriminate different NSIs of a quinodimethane derivative using its electronic excited state dynamics. After electronic excitation by a laser field with femtosecond time duration, a difference in the behavior of several quantum mechanical operators can be observed. A pump-probe experimental approach for separating these different NSIs is then proposed.
A nuclear spin-based 129Xe and 131Xe using optical polarization
NASA Astrophysics Data System (ADS)
Zhou, Binquan; Chen, Linlin; Lei, Guanqun; Quan, Wei; Meng, Xiaofeng; Fang, Jiancheng
2015-10-01
We present a design for a spin-exchange optical pumping system to produce large quantities of highly polarized 129Xe and 131Xe. Low xenon concentrations in the flowing gas mixture which allow the laser to maintain high Cs polarization. The large spin-exchange rate between Cs and Xe through the long-lived van der Waals molecules at low pressure, combined with a high flow rate, results in large production rates of hyperpolarized xenon. The fast rates make it possible to obtain large nuclear polarizations after several minutes of optical pumping with a laser.At high Xe pressures. According to the theory, the longitudinal spin-elaxation rate 1T1 of Xe in a high-pressure sample containing only Xe and Cs vapor has the simple form is the velocity averaged binary spin-exchange cross section, It is the relaxation rate due to wall collisions and perhaps magnetic field inhomogeneities. Our results complement earlier studies performed at 129Xe pressures of about 20 Torr and 131Xe pressures of about 20 Torr and N2 pressures of 600 Torr . This work is useful for predicting spin-exchange rates between polarized Cs atoms and Xe nuclei.
Nuclear structure aspects of spin-independent WIMP scattering off xenon
L. Vietze; P. Klos; J. Menéndez; W. C. Haxton; A. Schwenk
2015-02-19
We study the structure factors for spin-independent WIMP scattering off xenon based on state-of-the-art large-scale shell-model calculations, which are shown to yield a good spectroscopic description of all experimentally relevant isotopes. Our results are based on the leading scalar one-body currents only. At this level and for the momentum transfers relevant to direct dark matter detection, the structure factors are in very good agreement with the phenomenological Helm form factors used to give experimental limits for WIMP-nucleon cross sections. In contrast to spin-dependent WIMP scattering, the spin-independent channel, at the one-body level, is less sensitive to nuclear structure details. In addition, we explicitly show that the structure factors for inelastic scattering are suppressed by ~ 10^{-4} compared to the coherent elastic scattering response. This implies that the detection of inelastic scattering will be able to discriminate clearly between spin-independent and spin-dependent scattering. Finally, we provide fits for all calculated structure factors.
Sideband Cooling while Preserving Coherences in the Nuclear Spin State in Group-II-like Atoms
Reichenbach, Iris; Deutsch, Ivan H.
2007-09-21
We propose a method for laser cooling group-II-like atoms without changing the quantum state of their nuclear spins, thus preserving coherences that are usually destroyed by optical pumping in the cooling process. As group-II-like atoms have a {sup 1}S{sub 0} closed-shell ground state, nuclear spin and electronic angular momentum are decoupled, allowing for their independent manipulation. The hyperfine interaction that couples these degrees of freedom in excited states can be suppressed through the application of external magnetic fields. Our protocol employs resolved-sideband cooling on the forbidden clock transition, {sup 1}S{sub 0}{yields}{sup 3}P{sub 0}, with quenching via coupling to the rapidly decaying {sup 1}P{sub 1} state, deep in the Paschen-Back regime. This makes it possible to laser cool neutral atomic qubits without destroying the quantum information stored in their nuclear spins, as shown in two examples, {sup 171}Yb and {sup 87}Sr.
Quantum cognition: The possibility of processing with nuclear spins in the brain
NASA Astrophysics Data System (ADS)
Fisher, Matthew P. A.
2015-11-01
The possibility that quantum processing with nuclear spins might be operative in the brain is explored. Phosphorus is identified as the unique biological element with a nuclear spin that can serve as a qubit for such putative quantum processing-a neural qubit-while the phosphate ion is the only possible qubit-transporter. We identify the "Posner molecule", Ca9(PO4)6, as the unique molecule that can protect the neural qubits on very long times and thereby serve as a (working) quantum-memory. A central requirement for quantum-processing is quantum entanglement. It is argued that the enzyme catalyzed chemical reaction which breaks a pyrophosphate ion into two phosphate ions can quantum entangle pairs of qubits. Posner molecules, formed by binding such phosphate pairs with extracellular calcium ions, will inherit the nuclear spin entanglement. A mechanism for transporting Posner molecules into presynaptic neurons during vesicle endocytosis is proposed. Quantum measurements can occur when a pair of Posner molecules chemically bind and subsequently melt, releasing a shower of intra-cellular calcium ions that can trigger further neurotransmitter release and enhance the probability of post-synaptic neuron firing. Multiple entangled Posner molecules, triggering non-local quantum correlations of neuron firing rates, would provide the key mechanism for neural quantum processing. Implications, both in vitro and in vivo, are briefly mentioned.
Quantum Cognition: The possibility of processing with nuclear spins in the brain
Fisher, Matthew P A
2015-01-01
The possibility that quantum processing with nuclear spins might be operative in the brain is proposed and then explored. Phosphorus is identified as the unique biological element with a nuclear spin that can serve as a qubit for such putative quantum processing - a neural qubit - while the phosphate ion is the only possible qubit-transporter. We identify the ``Posner molecule", $\\text{Ca}_9 (\\text{PO}_4)_6$, as the unique molecule that can protect the neural qubits on very long times and thereby serve as a (working) quantum-memory. A central requirement for quantum-processing is quantum entanglement. It is argued that the enzyme catalyzed chemical reaction which breaks a pyrophosphate ion into two phosphate ions can quantum entangle pairs of qubits. Posner molecules, formed by binding such phosphate pairs with extracellular calcium ions, will inherit the nuclear spin entanglement. A mechanism for transporting Posner molecules into presynaptic neurons during a ``kiss and run" exocytosis, which releases neurot...
Quantum Cognition: The possibility of processing with nuclear spins in the brain
Matthew P. A. Fisher
2015-08-29
The possibility that quantum processing with nuclear spins might be operative in the brain is proposed and then explored. Phosphorus is identified as the unique biological element with a nuclear spin that can serve as a qubit for such putative quantum processing - a neural qubit - while the phosphate ion is the only possible qubit-transporter. We identify the "Posner molecule", $\\text{Ca}_9 (\\text{PO}_4)_6$, as the unique molecule that can protect the neural qubits on very long times and thereby serve as a (working) quantum-memory. A central requirement for quantum-processing is quantum entanglement. It is argued that the enzyme catalyzed chemical reaction which breaks a pyrophosphate ion into two phosphate ions can quantum entangle pairs of qubits. Posner molecules, formed by binding such phosphate pairs with extracellular calcium ions, will inherit the nuclear spin entanglement. A mechanism for transporting Posner molecules into presynaptic neurons during a "kiss and run" exocytosis, which releases neurotransmitters into the synaptic cleft, is proposed. Quantum measurements can occur when a pair of Posner molecules chemically bind and subsequently melt, releasing a shower of intra-cellular calcium ions that can trigger further neurotransmitter release and enhance the probability of post-synaptic neuron firing. Multiple entangled Posner molecules, triggering non-local quantum correlations of neuron firing rates, would provide the key mechanism for neural quantum processing. Implications, both in vitro and in vivo, are briefly mentioned.
Nuclear spin singlet states as a contrast mechanism for NMR spectroscopy.
Devience, Stephen J; Walsworth, Ronald L; Rosen, Matthew S
2013-10-01
Nuclear magnetic resonance (NMR) spectra of complex chemical mixtures often contain unresolved or hidden spectral components, especially when strong background signals overlap weaker peaks. In this article we demonstrate a quantum filter utilizing nuclear spin singlet states, which allows undesired NMR spectral background to be removed and target spectral peaks to be uncovered. The quantum filter is implemented by creating a nuclear spin singlet state with spin quantum numbers j?=?0,?mz ?=?0 in a target molecule, applying a continuous RF field to both preserve the singlet state and saturate the magnetization of undesired molecules and then mapping the target molecule singlet state back into an NMR observable state so that its spectrum can be read out unambiguously. The preparation of the target singlet state can be carefully controlled with pulse sequence parameters, so that spectral contrast can be achieved between molecules with very similar structures. We name this NMR contrast mechanism 'Suppression of Undesired Chemicals using Contrast-Enhancing Singlet States' (SUCCESS) and we demonstrate it in vitro for three target molecules relevant to neuroscience: aspartate, threonine and glutamine. PMID:23606451
{sigma}-nuclear spin-orbit coupling from two-pion exchange
Kaiser, N.
2007-12-15
Using SU(3) chiral perturbation theory we calculate the density-dependent complex-valued spin-orbit coupling strength U{sub {sigma}}{sub ls}(k{sub f})+iW{sub {sigma}}{sub ls}(k{sub f}) of a {sigma} hyperon in the nuclear medium. The leading long-range {sigma}N interaction arises from iterated one-pion exchange with a {lambda} or a {sigma} hyperon in the intermediate state. We find from this unique long-range dynamics a sizable ''wrong-sign'' spin-orbit coupling strength of U{sub {sigma}}{sub ls}(k{sub f0}){approx_equal}-20 MeV fm{sup 2} at normal nuclear matter density {rho}{sub 0}=0.16 fm{sup -3}. The strong {sigma}N{yields}{lambda}N conversion process contributes at the same time an imaginary part of W{sub {sigma}}{sub ls}(k{sub f0}){approx_equal}-12 MeV fm{sup 2}. When combined with estimates of the short-range contribution the total {sigma}-nuclear spin-orbit coupling becomes rather weak.
A NEW METHOD FOR EXTRACTING SPIN-DEPENDENT NEUTRON STRUCTURE FUNCTIONS FROM NUCLEAR DATA
Kahn, Y.F.; Melnitchouk, W.
2009-01-01
High-energy electrons are currently the best probes of the internal structure of nucleons (protons and neutrons). By collecting data on electrons scattering off light nuclei, such as deuterium and helium, one can extract structure functions (SFs), which encode information about the quarks that make up the nucleon. Spin-dependent SFs, which depend on the relative polarization of the electron beam and the target nucleus, encode quark spins. Proton SFs can be measured directly from electron-proton scattering, but those of the neutron must be extracted from proton data and deuterium or helium-3 data because free neutron targets do not exist. At present, there is no reliable method for accurately determining spin-dependent neutron SFs in the low-momentum-transfer regime, where nucleon resonances are prominent and the functions are not smooth. The focus of this study was to develop a new method for extracting spin-dependent neutron SFs from nuclear data. An approximate convolution formula for nuclear SFs reduces the problem to an integral equation, for which a recursive solution method was designed. The method was then applied to recent data from proton and deuterium scattering experiments to perform a preliminary extraction of spin-dependent neutron SFs in the resonance region. The extraction method was found to reliably converge for arbitrary test functions, and the validity of the extraction from data was verifi ed using a Bjorken integral, which relates integrals of SFs to a known quantity. This new information on neutron structure could be used to assess quark-hadron duality for the neutron, which requires detailed knowledge of SFs in all kinematic regimes.
Quantitative nuclear magnetic resonance analysis of solid formoterol fumarate and its dihydrate.
Apperley, David C; Harris, Robin K; Larsson, Tomas; Malmstrom, Torsten
2003-12-01
Carbon-13 cross-polarization magic-angle spinning nuclear magnetic resonance spectra of anhydrous formoterol fumarate and the dihydrate are presented, together with some relaxation time measurements. The latter enabled quantitation of mixtures of the anhydrate and dihydrate to be made. Quantitative nuclear magnetic resonance measurements were then performed on mixtures of the two forms formulated in lactose. Relative amounts of the forms could be assessed at a total formulation level of 2%, whereas the dihydrate on its own in lactose was detectable at the 0.45% level. The optimum experiment involves dipolar dephasing, because that minimizes the intensity of signals from the lactose. PMID:14603494
Spin-orbit effects on nuclear state preparation at the S -T+ anti-crossing in double quantum dots
NASA Astrophysics Data System (ADS)
Rancic, Marko; Burkard, Guido
2014-03-01
We explore the interplay of spin-orbit and hyperfine effects on the nuclear preparation schemes in two-electron double quantum dots, e.g. in GaAs. The quantity of utmost interest is the electron spin decoherence time T2* in dependence of the number of sweeps through the electron spin singlet S triplet T+ anti-crossing. Decoherence of the electron spin is caused by the difference field induced by the nuclear spins. We study the case where a singlet S(2 , 0) is initialized, in which both electrons are in the left dot. Subsequently, the system is driven repeatedly through the anti-crossing and back using linear electrical bias sweeps. Our model describes the passage through the anti-crossing with a large number of equally spaced, step-like parameter increments. We develop a numerical method describing the nuclear spins fully quantum mechanically, which allows us to track their dynamics. Both Rashba and Dresselhaus spin-orbit terms do depend on the angle ? between the [ 110 ] crystallographic and the inter-dot axis. Our results show that the suppression of decoherence (and therefore the enhancement of T2*) is inversely proportional to the strength of the spin-orbit interaction, which is tuned by varying the angle ?. We acknowledge the S3Nano Marie Curie ITN for support and funding.
Ignition conditions for inertial confinement fusion targets with a nuclear spin-polarized DT fuel
NASA Astrophysics Data System (ADS)
Temporal, M.; Brandon, V.; Canaud, B.; Didelez, J. P.; Fedosejevs, R.; Ramis, R.
2012-10-01
The nuclear fusion cross-section is modified when the spins of the interacting nuclei are polarized. In the case of deuterium-tritium it has been theoretically predicted that the nuclear fusion cross-section could be increased by a factor ? = 1.5 if all the nuclei were polarized. In inertial confinement fusion this would result in a modification of the required ignition conditions. Using numerical simulations it is found that the required hot-spot temperature and areal density can both be reduced by about 15% for a fully polarized nuclear fuel. Moreover, numerical simulations of a directly driven capsule show that the required laser power and energy to achieve a high gain scale as ?-0.6 and ?-0.4 respectively, while the maximum achievable energy gain scales as ?0.9.
Single particle potentials of asymmetric nuclear matter in different spin-isospin channels
Wei Zuo; Sheng-Xin Gan; Umberto Lombardo
2013-10-04
We investigate the neutron and proton single particle (s.p.) potentials of asymmetric nuclear matter and their isospin dependence in various spin-isospin $ST$ channels within the framework of the Brueckner-Hartree-Fock approach. It is shown that in symmetric nuclear matter, the s.p. potentials in both the isospin-singlet T=0 channel and isospin-triplet T=1 channel are essentially attractive, and the magnitudes in the two different channels are roughly the same. In neutron-rich nuclear matter, the isospin-splitting of the proton and neutron s.p. potentials turns out to be mainly determined by the isospin-singlet T=0 channel contribution which becomes more attractive for proton and more repulsive for neutron at higher asymmetries.
Zumbühl, Dominik
is of fundamental importance, leading to many interesting effects including dynamic nuclear polarization (DNP) [1 on the metallic side. The observed NSR power law / T0:6 is qualitatively consistent with the combined effects refrig- eration schemes. Finally, we investigate effects of nuclear spin inhomogeneities. The sp
Bigdeli, M.; Bordbar, G. H.; Poostforush, A.
2010-09-15
The lowest order constrained variational technique has been used to investigate some of the thermodynamic properties of spin-polarized hot asymmetric nuclear matter, such as the free energy, symmetry energy, susceptibility, and equation of state. We have shown that the symmetry energy of the nuclear matter is substantially sensitive to the value of spin polarization. Our calculations show that the equation of state of the polarized hot asymmetric nuclear matter is stiffer for higher values of the polarization as well as the isospin asymmetry parameter. Our results for the free energy and susceptibility show that spontaneous ferromagnetic phase transition cannot occur for hot asymmetric matter.
Impact of hadronic and nuclear corrections on global analysis of spin-dependent parton distributions
Jimenez-Delgado, Pedro; Accardi, Alberto; Melnitchouk, Wally
2014-02-01
We present the first results of a new global next-to-leading order analysis of spin-dependent parton distribution functions from the most recent world data on inclusive polarized deep-inelastic scattering, focusing in particular on the large-x and low-Q^2 regions. By directly fitting polarization asymmetries we eliminate biases introduced by using polarized structure function data extracted under nonuniform assumptions for the unpolarized structure functions. For analysis of the large-x data we implement nuclear smearing corrections for deuterium and 3He nuclei, and systematically include target mass and higher twist corrections to the g_1 and g_2 structure functions at low Q^2. We also explore the effects of Q^2 and W^2 cuts in the data sets, and the potential impact of future data on the behavior of the spin-dependent parton distributions at large x.
Size dependence of 13C nuclear spin-lattice relaxation in micro- and nanodiamonds
NASA Astrophysics Data System (ADS)
Panich, A. M.; Sergeev, N. A.; Shames, A. I.; Osipov, V. Yu; Boudou, J.-P.; Goren, S. D.
2015-02-01
Size dependence of physical properties of nanodiamond particles is of crucial importance for various applications in which defect density and location as well as relaxation processes play a significant role. In this work, the impact of defects induced by milling of micron-sized synthetic diamonds was studied by magnetic resonance techniques as a function of the particle size. EPR and 13C NMR studies of highly purified commercial synthetic micro- and nanodiamonds were done for various fractions separated by sizes. Noticeable acceleration of 13C nuclear spin-lattice relaxation with decreasing particle size was found. We showed that this effect is caused by the contribution to relaxation coming from the surface paramagnetic centers induced by sample milling. The developed theory of the spin-lattice relaxation for such a case shows good compliance with the experiment.
Size dependence of 13C nuclear spin-lattice relaxation in micro- and nanodiamonds.
Panich, A M; Sergeev, N A; Shames, A I; Osipov, V Yu; Boudou, J-P; Goren, S D
2015-02-25
Size dependence of physical properties of nanodiamond particles is of crucial importance for various applications in which defect density and location as well as relaxation processes play a significant role. In this work, the impact of defects induced by milling of micron-sized synthetic diamonds was studied by magnetic resonance techniques as a function of the particle size. EPR and (13)C NMR studies of highly purified commercial synthetic micro- and nanodiamonds were done for various fractions separated by sizes. Noticeable acceleration of (13)C nuclear spin-lattice relaxation with decreasing particle size was found. We showed that this effect is caused by the contribution to relaxation coming from the surface paramagnetic centers induced by sample milling. The developed theory of the spin-lattice relaxation for such a case shows good compliance with the experiment. PMID:25646270
Magic radio-frequency dressing of nuclear spins in high-accuracy optical clocks.
Zanon-Willette, Thomas; de Clercq, Emeric; Arimondo, Ennio
2012-11-30
A Zeeman-insensitive optical clock atomic transition is engineered when nuclear spins are dressed by a nonresonant radio-frequency field. For fermionic species as (87)Sr, (171)Yb, and (199)Hg, particular ratios between the radio-frequency driving amplitude and frequency lead to "magic" magnetic values where a net cancelation of the Zeeman clock shift and a complete reduction of first-order magnetic variations are produced within a relative uncertainty below the 10(-18) level. An Autler-Townes continued fraction describing a semiclassical radio-frequency dressed spin is numerically computed and compared to an analytical quantum description including higher-order magnetic field corrections to the dressed energies. PMID:23368116
Resonance-inclined optical nuclear spin polarization of liquids in diamond structures
Qiong Chen; Ilai Schwarz; Fedor Jelezko; Alex Retzker; Martin B Plenio
2015-10-12
Dynamic nuclear polarization (DNP) of molecules in a solution at room temperature has potential to revolutionize nuclear magnetic resonance spectroscopy and imaging. The prevalent methods for achieving DNP in solutions are typically most effective in the regime of small interaction correlation times between the electron and nuclear spins, limiting the size of accessible molecules. To solve this limitation, we design a mechanism for DNP in the liquid phase that is applicable for large interaction correlation times. Importantly, while this mechanism makes use of a resonance condition similar to solid-state DNP, the polarization transfer is robust to a relatively large detuning from the resonance due to molecular motion. We combine this scheme with optically polarized nitrogen vacancy (NV) center spins in nanodiamonds to design a setup that employs optical pumping and is therefore not limited by room temperature electron thermal polarisation. We illustrate numerically the effectiveness of the model in a flow cell containing nanodiamonds immobilized in a hydrogel, polarising flowing water molecules 4700-fold above thermal polarisation in a magnetic field of 0.35 T, in volumes detectable by current NMR scanners.
Nuclear spin-lattice relaxation from fractional wobbling in a cone
A. E. Sitnitsky
2011-06-29
We consider nuclear spin-lattice relaxation rate resulted from a fractional diffusion equation for anomalous rotational wobbling in a cone. The mechanism of relaxation is assumed to be due to dipole-dipole interaction of nuclear spins and is treated within the framework of the standard Bloemberger, Purcell, Pound - Solomon scheme. We consider the general case of arbitrary orientation of the cone axis relative the magnetic field. The BPP-Solomon scheme is shown to remain valid for systems with the distribution of the cone axes depending only on the tilt relative the magnetic field but otherwise being isotropic. We consider the case of random isotropic orientation of cone axes relative the magnetic field taking place in powders. Also we consider the case of their predominant orientation along or opposite the magnetic field and that of their predominant orientation transverse to the magnetic field which may be relevant for, e.g., liquid crystals. Besides we treat in details the model case of the cone axis directed along the magnetic field. The latter provides direct comparison of the limiting case of our formulas with the textbook formulas for ordinary isotropic rotational diffusion. We show that the present model enables one to obtain naturally the well known power law for Larmor frequency dependence of the spin-lattice relaxation rate. The latter is observed in some complex systems. From this law the dependence of the fractional diffusion coefficient on the fractional index is obtained to have a rather simple functional form. The dependence of the spin-lattice relaxation rate on the cone half-width for the case of ordinary rotational diffusion yields results similar to those predicted by the model-free approach.
NASA Astrophysics Data System (ADS)
Belorizky, Elie; Fries, Pascal H.; Helm, Lothar; Kowalewski, Jozef; Kruk, Danuta; Sharp, Robert R.; Westlund, Per-Olof
2008-02-01
The enhancement of the spin-lattice relaxation rate for nuclear spins in a ligand bound to a paramagnetic metal ion [known as the paramagnetic relaxation enhancement (PRE)] arises primarily through the dipole-dipole (DD) interaction between the nuclear spins and the electron spins. In solution, the DD interaction is modulated mostly by reorientation of the nuclear spin-electron spin axis and by electron spin relaxation. Calculations of the PRE are in general complicated, mainly because the electron spin interacts so strongly with the other degrees of freedom that its relaxation cannot be described by second-order perturbation theory or the Redfield theory. Three approaches to resolve this problem exist in the literature: The so-called slow-motion theory, originating from Swedish groups [Benetis et al., Mol. Phys. 48, 329 (1983); Kowalewski et al., Adv. Inorg. Chem. 57, (2005); Larsson et al., J. Chem. Phys. 101, 1116 (1994); T. Nilsson et al., J. Magn. Reson. 154, 269 (2002)] and two different methods based on simulations of the dynamics of electron spin in time domain, developed in Grenoble [Fries and Belorizky, J. Chem. Phys. 126, 204503 (2007); Rast et al., ibid. 115, 7554 (2001)] and Ann Arbor [Abernathy and Sharp, J. Chem. Phys. 106, 9032 (1997); Schaefle and Sharp, ibid. 121, 5387 (2004); Schaefle and Sharp, J. Magn. Reson. 176, 160 (2005)], respectively. In this paper, we report a numerical comparison of the three methods for a large variety of parameter sets, meant to correspond to large and small complexes of gadolinium(III) and of nickel(II). It is found that the agreement between the Swedish and the Grenoble approaches is very good for practically all parameter sets, while the predictions of the Ann Arbor model are similar in a number of the calculations but deviate significantly in others, reflecting in part differences in the treatment of electron spin relaxation. The origins of the discrepancies are discussed briefly.
Simulation of an entangled state in a chain of three nuclear spins system
Gustavo V. Lopez; Lorena Lara
2006-08-28
We study the formation of an entangled state in a one-dimensional chain of three nuclear spins system which interact weakly through the Ising type of interaction and taking into account first and second neighbor interactions. We can get this entangled state using two pulses ($\\pi/2$ and $\\pi$ pulses), and we study the efficiency of getting this entangled state as a function of the ratio of the second neighbor interaction coupling constant to the first neighbor interaction coupling constant ($J'/J$). We found that for $J'/J\\ge 0.04$, the entangled state is well defined.
Jonathan P. King; Keunhong Jeong; Christophoros C. Vassiliou; Chang S. Shin; Ralph H. Page; Claudia E. Avalos; Hai-Jing Wang; Alexander Pines
2015-01-13
We report bulk, room-temperature hyperpolarization of 13C nuclear spins observed via high-field nuclear magnetic resonance (NMR). The hyperpolarization is achieved by optical pumping (OP) of nitrogen vacancy defect centers in diamond accompanied by dynamic nuclear polarization (DNP). The technique harnesses the large optically-induced spin polarization of NV- centers at room temperature, which is many orders of magnitude greater than thermal equilibrium polarization and typically achievable only at sub-Kelvin temperatures. Transfer of the spin polarization to the 13C nuclear spins is accomplished via a combination of OP and microwave irradiation. The OP/DNP is performed at 420 mT, where inductive detection of NMR is feasible, in contrast to the typically exploited level anticrossing regimes at 100 mT and 50 mT. Here, we report a bulk nuclear spin polarization of 6%. This polarization was generated in situ and detected with a standard, inductive NMR probe without the need for sample shuttling or precise crystal orientation. Hyperpolarization via OP/DNP should operate at arbitrary magnetic fields, enabling orders of magnitude sensitivity enhancement for NMR of solids and liquids at ambient conditions.
A. Ong; J. C. Berengut; V. V. Flambaum
2010-06-29
In this paper we consider the contribution of the anomalous magnetic moments of protons and neutrons to the nuclear charge density. We show that the spin-orbit contribution to the mean-square charge radius, which has been neglected in recent nuclear calculations, can be important in light halonuclei. We estimate the size of the effect in helium, lithium, and beryllium nuclei. It is found that the spin-orbit contribution represents a ~2% correction to the charge density at the center of the Be-7 nucleus. We derive a simple expression for the correction to the mean-square charge radius due to the spin-orbit term and find that in light halonuclei it may be larger than the Darwin-Foldy term and comparable to finite size corrections. A comparison of experimental and theoretical mean-square radii including the spin-orbit contribution is presented.
Gustavo V. Lopez; Lorena Lara
2006-08-28
For a one-dimensional chain of four nuclear spins (1/2) and taking into account first and second neighbor interactions among the spin system, we make the numerical simulation of Shor prime factorization algorithm of the integer number N=4 to study the influence of the second neighbor interaction on the performance of this algorithm. It is shown that the optimum Rabi's frequency to control the non-resonant effects is dominated by the second neighbor interaction coupling parameter ($J'$), and that a good Shor quantum factorization is achieved for a ratio of second to first coupling constant of $J'/J\\ge 0.04$.
Quantum-state tomography of a single nuclear spin qubit of an optically manipulated ytterbium atom
Noguchi, Atsushi; Kozuma, Mikio; Eto, Yujiro; Ueda, Masahito
2011-09-15
A single Yb atom is loaded into a high-finesse optical cavity with a moving lattice, and its nuclear spin state is manipulated using a nuclear magnetic resonance technique. A highly reliable quantum state control with fidelity and purity greater than 0.98 and 0.96, respectively, is confirmed by the full quantum state tomography; a projective measurement with high speed (500 {mu}s) and high efficiency (0.98) is accomplished using the cavity QED technique. Because a hyperfine coupling is induced only when the projective measurement is operational, the long coherence times (T{sub 1}=0.49 s and T{sub 2}=0.10 s) are maintained.
Quantum State Engineering using Single Nuclear Spin Qubit of Optically Manipulated Ytterbium Atom
Atsushi Noguchi; Yujiro Eto; Masahito Ueda; Mikio Kozuma
2011-01-12
A single Yb atom is loaded into a high-finesse optical cavity with a moving lattice, and its nuclear spin state is manipulated using a nuclear magnetic resonance technique. A highly reliable quantum state control with fidelity and purity greater than 0.98 and 0.96, respectively, is confirmed by the full quantum state tomography; a projective measurement with high speed (500us) and high efficiency (0.98) is accomplished using the cavity QED technique. Because a hyperfine coupling is induced only when the projective measurement is operational, the long coherence times (T_1 = 0.49 s and T_2 = 0.10 s) are maintained. Our technique can be applied for implementing a scalable one-way quantum computation with a cluster state in an optical lattice.
Augustine, Mathew P.
Nuclear spin relaxation of sodium cations in bacteriophage Pf1 solutions D. N. Sobieski, N. R The nuclear magnetic resonance NMR spectra for the I=3/2 23 Na cation dissolved into filamentous bacteriophage
Limits on New Long Range Nuclear Spin-Dependent Forces Set with a K-{sup 3}He Comagnetometer
Vasilakis, G.; Brown, J. M.; Kornack, T. W.; Romalis, M. V.
2009-12-31
A magnetometer using spin-polarized K and {sup 3}He atoms occupying the same volume is used to search for anomalous nuclear spin-dependent forces generated by a separate {sup 3}He spin source. We measure changes in the {sup 3}He spin precession frequency with a resolution of 18 pHz and constrain anomalous spin forces between neutrons to be less than 2x10{sup -8} of their magnetic or less than 2x10{sup -3} of their gravitational interactions on a length scale of 50 cm. We present new limits on neutron coupling to light pseudoscalar and vector particles, including torsion, and constraints on recently proposed models involving unparticles and spontaneous breaking of Lorentz symmetry.
Quantum correlations in a system of nuclear s=1/2 spins in a strong magnetic field
E. B. Fel'dman; E. I. Kuznetsova; M. A. Yurishchev
2012-09-19
Entanglement and quantum discord for a pair of nuclear spins $s=1/2$ in a nanopore filled with a gas of spin-carrying molecules (atoms) are studied. The correlation functions describing dynamics of dipolar coupled spins in a nanopore are found. The dependence of spin-pair entanglement on the temperature and the number of spins is obtained from the reduced density matrix, which is centrosymmetric (CS). An analytic expression for the concurrence is obtained for an arbitrary CS density matrix. It is shown that the quantum discord as a measure of quantum correlations attains a significant value at low temperatures. It is shown also that the discord in the considered model has "flickering" character and disappears periodically in the course of the time evolution of the system. The geometric discord is studied for arbitrary $4\\times 4$ CS density matrices.
NASA Astrophysics Data System (ADS)
Behera, B.; Viñas, X.; Routray, T. R.; Centelles, M.
2015-04-01
The properties of spin polarized pure neutron matter and symmetric nuclear matter (SNM) are studied using the finite range simple effective interaction, upon its parametrization revisited. Out of the total twelve parameters involved, we now determine ten of them from nuclear matter (NM), against the nine parameters in our earlier calculation, as required in order to have predictions in both spin polarized NM and finite nuclei in unique manner being free from uncertainty found using the earlier parametrization. The information on the effective mass splitting in polarized neutron matter of the microscopic calculations is used to constrain the one more parameter, that was earlier determined from finite nucleus, and in doing so the quality of the description of finite nuclei is not compromised. The interaction with the new set of parameters is used to study the possibilities of ferromagnetic and antiferromagnetic transitions in completely polarized SNM. Emphasis is given to analyse the results analytically, as far as possible, to elucidate the role of the interaction parameters involved in the predictions.
Writing electronic ferromagnetic states in a high-temperature paramagnetic nuclear spin system
D. O. Soares-Pinto; J. Teles; A. M. Souza; E. R. deAzevedo; R. S. Sarthour; T. J. Bonagamba; M. S. Reis; I. S. Oliveira
2011-06-30
In this paper we use the Nuclear Magnetic Resonance (NMR) to write eletronic states of a ferromagnetic system into a high-temperature paramagnetic nuclear spins. Through the control of phase and duration of radiofrequency pulses we set the NMR density matrix populations, and apply the technique of quantum state tomography to experimentally obtain the matrix elements of the system, from which we calculate the temperature dependence of magnetization for different magnetic fields. The effects of the variation of temperature and magnetic field over the populations can be mapped in the angles of spins rotations, carried out by the RF pulses. The experimental results are compared to the Brillouin functions of ferromagnetic ordered systems in the mean field approximation for two cases: the mean field is given by (i) $B=B_0+\\lambda M$ and (ii) $B=B_0+\\lambda M + \\lambda^\\prime M^3$, where $B_0$ is the external magnetic field, and $\\lambda, \\lambda^\\prime$ are mean field parameters. The first case exhibits second order transition, whereas the second case has first order transition with temperature hysteresis. The NMR simulations are in good agreement with the magnetic predictions.
K?ístková, Anežka; Malkin, Vladimir G.; Komorovsky, Stanislav; Repisky, Michal; Malkina, Olga L.
2015-03-21
In this work, we report on the development and implementation of a new scheme for efficient calculation of indirect nuclear spin-spin couplings in the framework of four-component matrix Dirac-Kohn-Sham approach termed matrix Dirac-Kohn-Sham restricted magnetic balance resolution of identity for J and K, which takes advantage of the previous restricted magnetic balance formalism and the density fitting approach for the rapid evaluation of density functional theory exchange-correlation response kernels. The new approach is aimed to speedup the bottleneck in the solution of the coupled perturbed equations: evaluation of the matrix elements of the kernel of the exchange-correlation potential. The performance of the new scheme has been tested on a representative set of indirect nuclear spin-spin couplings. The obtained results have been compared with the corresponding results of the reference method with traditional evaluation of the exchange-correlation kernel, i.e., without employing the fitted electron densities. Overall good agreement between both methods was observed, though the new approach tends to give values by about 4%-5% higher than the reference method. On the average, the solution of the coupled perturbed equations with the new scheme is about 8.5 times faster compared to the reference method.
NASA Astrophysics Data System (ADS)
Harter, William; Mitchell, Justin
2009-06-01
At several points in his defining works on molecular spectroscopy, Herzberg notes that ``because nuclear moments ldots are so very slight ldots transitions between species ldots are very strictly forbiddenldots '' Herzberg's most recent statement of such selection rules pertained to spherical top spin-species. It has since been shown that spherical top species (as well as those of lower symmetry molecules) converge exponentially with momentum quanta J and K to degenerate level clusters wherein even ``very slight'' nuclear fields and moments cause pervasive resonance and total spin species mixing. Ultra-high resolution spectra of Borde, et .al and Pfister et .al shows how SF_6 and SiF_4 Fluorine nuclear spin levels rearrange from total-spin multiplets to NMR-like patterns as their superfine structure converges. Similar super-hyperfine effects are anticipated for lower symmetry molecules exhibiting converging superfine level-clusters. Examples include PH_3 molecules and asymmetric tops. Following this we consider models that treat nuclear spins as coupled rotors undergoing generalized Hund-case transitions from spin-lab-momentum coupling to various spin-rotor correlations. G. A. Herzberg, Electronic Spectra of Polyatomic Molecules, (Von Norstrand Rheinhold 1966) p. 246. W G. Harter and C. W Patterson, Phys. Rev. A 19, 2277 (1979) W. G. Harter, Phys. Rev. A 24, 192 (1981). Ch. J. Borde, J. Borde, Ch. Breant, Ch. Chardonnet, A. Van Lerberghe, and Ch. Salomon, in Laser Spectroscopy VII, T. W Hensch and Y. R. Shen, eds. (Springer-Verlag, Berlin, 1985). O. Pfister, F. Guernet, G. Charton, Ch. Chardonnet, F. Herlemont, and J. Legrand, J. Opt. Soc. Am. B 10, 1521 (1993). O. Pfister, Ch. Chardonnet, and Ch. J. Bordè, Phys. Rev. Lett. 76, 4516 (1996) S. N. Yurchenko, W. Thiel, S. Patchkovskii, and P. Jensen, Phys. Chem. Chem. Phys.7, 573 (2005)
NASA Astrophysics Data System (ADS)
Mazurek, K.; Dudek, J.; Maj, A.; Rouvel, D.
2015-03-01
We present a theoretical analysis of the competition between the so-called nuclear Jacobi and Poincaré shape transitions as a function of spin at high temperatures. The latter condition implies the method of choice, a realistic version of the nuclear liquid drop model, here the Lublin-Strasbourg drop model. We address specifically the fact that the Jacobi and Poincaré shape transitions are accompanied by the flattening of the total nuclear energy landscape as a function of the relevant deformation parameters, which enforces large-amplitude oscillation modes that need to be taken into account. For that purpose we introduce an approximate form of the collective Schrödinger equation whose solutions are used to calculate the most probable deformations associated with the nuclear Jacobi and Poincaré transitions. We discuss selected aspects of the new description focusing on the critical-spin values for both types of these transitions.
Thurber, Kent R.; Potapov, Alexey; Yau, Wai-Ming; Tycko, Robert
2012-01-01
We describe an apparatus for solid state nuclear magnetic resonance (NMR) with dynamic nuclear polarization (DNP) and magic-angle spinning (MAS) at 20–25 K and 9.4 Tesla. The MAS NMR probe uses helium to cool the sample space and nitrogen gas for MAS drive and bearings, as described earlier (Thurber et al., J. Magn. Reson. 2008) [1], but also includes a corrugated waveguide for transmission of microwaves from below the probe to the sample. With a 30 mW circularly polarized microwave source at 264 GHz, MAS at 6.8 kHz, and 21 K sample temperature, greater than 25-fold enhancements of cross-polarized 13C NMR signals are observed in spectra of frozen glycerol/water solutions containing the triradical dopant DOTOPA-TEMPO when microwaves are applied. As demonstrations, we present DNP-enhanced one-dimensional and two-dimensional 13C MAS NMR spectra of frozen solutions of uniformly 13C-labeled L-alanine and melittin, a 26-residue helical peptide that we have synthesized with four uniformly 13C-labeled amino acids. PMID:23238592
Measuring the Spin Correlation of Nuclear Muon Capture in HELIUM-3.
NASA Astrophysics Data System (ADS)
McCracken, Dorothy Jill
1996-06-01
We have completed the first measurement of the spin correlation of nuclear muon capture in ^3 He: mu^- + ^3He to nu _{mu} + ^3 H. From this spin correlation, we can extract the induced pseudoscalar form factor, F_{ rm p}, of the weak charged nuclear current. This form factor is not well known experimentally. If nuclear muon capture were a purely leptonic weak interaction, the current would have no pseudoscalar coupling, and therefore F_{rm p} arises from QCD contributions. Since ^3He is a fairly well understood system, a precise measurement of F_{rm p} could provide a direct test of the theories which describe QCD at low energies. This experiment was performed at TRIUMF in Vancouver, BC, using a muon beam. We stopped unpolarized muons in a laser polarized target filled with ^3 He and Rb vapor. The muons were captured into atomic orbitals, forming muonic ^3He which was then polarized via collisions with the optically pumped Rb vapor. When polarized muons undergo nuclear capture in ^3He, the total capture rate is proportional to (1 + {rm A_ {v}P_{v}cos} theta) where theta is the angle between the muon polarization and the triton recoil direction, P_{rm v} is the muon vector polarization and A_ {rm v} is the vector analyzing power. The partially conserved axial current hypothesis (PCAC) predicts that A_{rm v} = 0.524 +/- 0.006 Our measurement of A_{rm v} is in agreement with this prediction: A_{rm v } = 0.604 +/- 0.093 (stat.) _sp{-.142}{+.112}(syst.). This thesis will describe the design, construction, and operation of the device which simultaneously served as a polarized target and a gridded ion chamber. The ion chamber apparatus enabled us to identify recoil tritons as well as determine their direction of motion. The directional information was obtained by fitting the shapes of the pulses generated by the tritons. In addition, this thesis will describe in detail the analysis of these pulses which resulted in a measurement of the raw forward/backward asymmetry of the triton recoil direction. This asymmetry was measured to a precision of 11.5%. With the techniques employed in this experiment, a clear path exists to obtaining a precise measurement of the induced pseudoscalar coupling of the charged weak nuclear current. Plans for a future run, in which we will improve upon these techniques, are underway.
Decomposition of EOS of Asymmetric Nuclear Matter into Different Spin-isospin Channels
Wei Zuo; Shan-Gui Zhou; Jun-Qing Li; En-Guang Zhao; Werner Scheid
2013-10-04
We investigate the equation of state of asymmetric nuclear matter and its isospin dependence in various spin-isospin $ST$ channels within the framework of the Brueckner-Hartree-Fock approach extended to include a microscopic three-body force (TBF). It is shown that the potential energy per nucleon in the isospin-singlet T=0 channel is mainly determined by the contribution from the tensor SD coupled channel. At high densities, the TBF effect on the isospin-triplet T=1 channel contribution turns out to be much larger than that on the T=0 channel contribution. At low densities around and below the normal nuclear matter density, the isospin dependence is found to come essentially from the isospin-singlet SD channel and the isospin-triplet T=1 component is almost independent of isospin-asymmetry. As the density increases, the T=1 channel contribution becomes sensitive to the isospin-asymmetry and at high enough densities its isospin-dependence may even become more pronounced than that of the T=0 contribution. The present results may provide some microscopic constraints for improving effective nucleon-nucleon interactions in nuclear medium and for constructing new functionals of effective nucleon-nucleon interaction based on microscopic many-body theories.
NASA Astrophysics Data System (ADS)
Cheng, Lan; Gauss, Jürgen; Stanton, John F.
2013-08-01
A cost-effective treatment of scalar-relativistic effects on nuclear magnetic shieldings based on the spin-free exact-two-component theory in its one-electron variant (SFX2C-1e) is presented. The SFX2C-1e scheme gains its computational efficiency, in comparison to the four-component approach, from a focus on spin-free contributions and from the elimination of the small component. For the calculation of nuclear magnetic shieldings, the separation of spin-free and spin-dependent terms in the parent four-component theory is carried out here for the matrix representation of the Dirac equation in terms of a restricted-magnetically balanced gauge-including atomic orbital basis. The resulting spin-free four-component matrix elements required to calculate nuclear magnetic shieldings are then used to construct the corresponding SFX2C-1e Hamiltonian and its perturbed counterpart in the context of SFX2C-1e analytic derivative theory. To demonstrate the applicability of the approach, we report coupled-cluster calculations for prototypical problems such as the 17O shieldings of transition-metal oxo complexes (MO_4^{2-}, M = Cr, Mo, and W) and the 129Xe shieldings of xenon fluorides (XeF2, XeF4, and XeF6).
Cheng, Lan; Gauss, Jürgen; Stanton, John F
2013-08-01
A cost-effective treatment of scalar-relativistic effects on nuclear magnetic shieldings based on the spin-free exact-two-component theory in its one-electron variant (SFX2C-1e) is presented. The SFX2C-1e scheme gains its computational efficiency, in comparison to the four-component approach, from a focus on spin-free contributions and from the elimination of the small component. For the calculation of nuclear magnetic shieldings, the separation of spin-free and spin-dependent terms in the parent four-component theory is carried out here for the matrix representation of the Dirac equation in terms of a restricted-magnetically balanced gauge-including atomic orbital basis. The resulting spin-free four-component matrix elements required to calculate nuclear magnetic shieldings are then used to construct the corresponding SFX2C-1e Hamiltonian and its perturbed counterpart in the context of SFX2C-1e analytic derivative theory. To demonstrate the applicability of the approach, we report coupled-cluster calculations for prototypical problems such as the (17)O shieldings of transition-metal oxo complexes (MO4(2-), M = Cr, Mo, and W) and the (129)Xe shieldings of xenon fluorides (XeF2, XeF4, and XeF6). PMID:23927241
Frydman, Lucio
Fast radio-frequency amplitude modulation in multiple-quantum magic-angle-spinning nuclear magnetic of this experiment has been the poor efficiency of the radio-frequency pulses used in converting multiple-modulated radio-frequency pulses, and which can yield substantial signal and even resolution enhancements over
Dumoulin, Serge O.
fMRI: From Nuclear Spins to Brain Function Ugurbil, Uludag, Berliner 1 12 Functional MRI of the visual system Serge O. Dumoulin Experimental Psychology, Helmholtz Institute, Utrecht University, Utrecht of the visual system 12.8 Conclusion Abstract Vision is the dominant sense in humans and the visual system
Ortho-para mixing hyperfine interaction in the H2O+ ion and nuclear spin equilibration.
Tanaka, Keiichi; Harada, Kensuke; Oka, Takeshi
2013-10-01
The ortho to para conversion of water ion, H2O(+), due to the interaction between the magnetic moments of the unpaired electron and protons has been theoretically studied to calculate the spontaneous emission lifetime between the ortho- and para-levels. The electron spin-nuclear spin interaction term, Tab(Sa?Ib + Sb?Ia) mixes ortho (I = 1) and para (I = 0) levels to cause the "forbidden" ortho to para |?I| = 1 transition. The mixing term with Tab = 72.0 MHz is 4 orders of magnitude higher for H2O(+) than for its neutral counterpart H2O where the magnetic field interacting with proton spins is by molecular rotation rather than the free electron. The resultant 10(8) increase of ortho to para conversion rate possibly makes the effect of conversion in H2O(+) measurable in laboratories and possibly explains the anomalous ortho to para ratio recently reported by Herschel heterodyne instrument for the far-infrared (HIFI) observation. Results of our calculations show that the ortho ? para mixings involving near-degenerate ortho and para levels are high (?10(-3)), but they tend to occur at high energy levels, ?300 K. Because of the rapid spontaneous emission, such high levels are not populated in diffuse clouds unless the radiative temperature of the environment is very high. The low-lying 101 (para) and 111 (ortho) levels of H2O(+) are mixed by ?10(-4) making the spontaneous emission lifetime for the para 101 ? ortho 000 transition 520 years and 5200 years depending on the F value of the hyperfine structure. Thus the ortho ? para conversion due to the unpaired electron is not likely to seriously affect thermalization of interstellar H2O(+) unless either the radiative temperature is very high or number density of the cloud is very low. PMID:23530629
Titov, Anatoly
(Dated: 2 February 2006) The effects of nuclear spin-dependent parity nonconservation (NSD-PNC), which primarily fo- cused on the nuclear-spin-independent PNC effect,[5, 11 28] arising from the weak chargeA Program to Study Nuclear Spin-Dependent Parity Non-Conservation Using Simple Molecules S.B. Cahn
Nuclear spin-lattice relaxation of 205TI in TIMo 6Se 8
NASA Astrophysics Data System (ADS)
Nishihara, H.; Ohtani, T.; Sano, Y.; Nakamura, Y.
1991-12-01
Temperature dependence of the nuclear spin-lattice relaxation rate of 205TI has been studied in a superconducting Chevrel compound TIMo 6Se 8. The rate follows the Korringa relation in the normal state with (T 1T) -1=3.4×10 2 (sK) -1. It follows a power law with T 1-1=2.64×10 -3T 6.9 in the superconducting state. An enhancement of the relaxation rate just below T c was not observed. These suggest that TIMo 6Se 8 is a new example of gapless superconductors. The relaxation behaviors in this Chevrel compound, which has low T c but has high H C2 is discussed in comparison with those in high-Tc oxides.
Keun, Hector
2014-01-01
Magic angle spinning nuclear magnetic resonance (MAS-NMR) spectroscopy offers a convenient means for the rapid determination of metabolic profiles from intact malignant tissues with high resolution. The implementation of MAS-NMR spectroscopy requires minimal sample processing, hence being compatible with complementary histological or biochemical analyses. The metabolites routinely detected in (1)H MAS-NMR spectra can simultaneously inform on many of the metabolic alterations that characterize malignant cells, including altered choline metabolism and the so-called Warburg effect. Clinical MAS-NMR profiles have been attributed with diagnostic or prognostic value, correlating to disease subtype, tumor stage/grade, response to chemotherapy, and patient survival. Herein, the scientific rationale behind MAS-NMR and its utility for translational cancer research and patient stratification is summarized. Moreover, a basic protocol for the analysis of tumor samples by MAS-NMR spectroscopy is detailed. PMID:24924139
Nuclear Spin-Isospin Correlations, Parity Violation, and the $f_?$ Problem
Gerald A. Miller
2003-01-13
The strong interaction effects of isospin- and spin-dependent nucleon-nucleon correlations observed in many-body calculations are interpreted in terms of a one-pion exchange mechanism. Including such effects in computations of nuclear parity violating effects leads to enhancements of about 10%. A larger effect arises from the one-boson exchange nature of the parity non-conserving nucleon- nucleon interaction, which depends on both weak and strong meson-nucleon coupling constants. Using values of the latter that are constrained by nucleon-nucleon phase shifts leads to enhancements of parity violation by factors close to two. Thus much of previously noticed discrepancies between weak coupling constants extracted from different experiments can be removed.
Features of influence of dc magnetic field pulses on a nuclear spin echo in magnets
NASA Astrophysics Data System (ADS)
Mamniashvili, G. I.; Gegechkori, T. O.; Akhalkatsi, A. M.; Gavasheli, C. A.
2012-06-01
Signal intensities of a two-pulse nuclear spin echo as a function of parameters of dc magnetic field pulses are measured in the series of materials: Li0.5Fe2.5-xZnxO4 (x < 0.25) (enriched in 57Fe isotope to 96.8%), NiMnSb, Co2MnSi, La1-????MnO3 (x = 0.2; 0.25) and polycrystalline Co. Two types of dependences of these signals on a supplying time of such pulses with respect to the times of the exciting RF pulses are found. The mechanisms of influence of a domain structure and a dynamic frequency shift on the observed features of the investigated signals are discussed.
The Study of High Spin States in Nuclear Rotation by the Cranked Nilsson Strutinsky Model
Kardan, A.; Miri-Hakimabad, H.; Rafat-Motevalli, L.
2010-11-24
A heavy-ion reaction can populate nuclear states of very high angular momentum with values of the order of I = 60 achievable. The reaction produces such configurations with a considerable internal excitation, but the emission of a few neutrons reduces the excitation energy effectively while not decreasing the spin by much. At sufficiently high spin the pairing is destroyed completely and the rigid-body moment of inertia becomes a good approximation. Even in this regime, however, the single-particle structure remains important and shell effects can be studied in terms of a rotating phenomenological shell model. On the theoretical side the cranked Nilsson strutinsky model has proved to be a successful tool to describe rapidly rotating nucleus. Indeed, this model gives a microscopic description of the influence of rotation on single-particle motion. This paper will concentrate on introduction to the cranked Nilsson strutinsky model in details. First, we explain the cranking model and the rotating liquid-drop model, then introduce the shell correction method. Also, we describe terminating bands, which show a continuous transition from high collectivity to a pure particle-hole state.
Menghetti, L.; Basso, C.; Nava, A.; Angelini, A.; Thiene, G.
1996-01-01
OBJECTIVE: Arrhythmogenic right ventricular cardiomyopathy (ARVC) is a myocardial disorder characterised clinically by ventricular arrhythmias that can cause cardiac arrest and morphologically by fatty or fibro-fatty myocardial atrophy of the right ventricle. In vivo tissue characterisation without endomyocardial biopsy would be useful. The aim of this study was to investigate the diagnostic accuracy of spin-echo nuclear magnetic resonance (NMR) for tissue characterisation in ARVC. PATIENTS AND METHODS: Twenty three subjects (15 men and eight women, aged 18-49, mean 34) were studied with spin-echo T1-weighted NMR and multislice scan. Fifteen had a clinical diagnosis of ARVC and eight were controls (age and sex matched subjects). Data were independently evaluated by two expert observers. RESULTS: In the control group NMR was always negative (100% specificity). Ten of the 15 patients with ARVC had an abnormal NMR result (67% sensitivity), with areas that had a signal intensity close to that of pericardial or subcutaneous fat. In the remaining five cases the NMR signal was inadequate. Nine patients underwent both NMR and endomyocardial biopsy; biopsy was positive in eight (89%) and NMR was positive in five (56%). CONCLUSIONS: NMR is a useful non-invasive diagnostic tool in the evaluation of fatty replacement in ARVC. The technique can be used with other procedures in the initial diagnostic evaluation and is a useful alternative tool in the long term follow up of patients with ARVC. Images PMID:9014792
Nuclear spin imaging with hyperpolarized nuclei created by brute force method
NASA Astrophysics Data System (ADS)
Tanaka, Masayoshi; Kunimatsu, Takayuki; Fujiwara, Mamoru; Kohri, Hideki; Ohta, Takeshi; Utsuro, Masahiko; Yosoi, Masaru; Ono, Satoshi; Fukuda, Kohji; Takamatsu, Kunihiko; Ueda, Kunihiro; Didelez, Jean-P.; Prossati, Giorgio; de Waard, Arlette
2011-05-01
We have been developing a polarized HD target for particle physics at the SPring-8 under the leadership of the RCNP, Osaka University for the past 5 years. Nuclear polarizaton is created by means of the brute force method which uses a high magnetic field (~17 T) and a low temperature (~ 10 mK). As one of the promising applications of the brute force method to life sciences we started a new project, "NSI" (Nuclear Spin Imaging), where hyperpolarized nuclei are used for the MRI (Magnetic Resonance Imaging). The candidate nuclei with spin ½hslash are 3He, 13C, 15N, 19F, 29Si, and 31P, which are important elements for the composition of the biomolecules. Since the NMR signals from these isotopes are enhanced by orders of magnitudes, the spacial resolution in the imaging would be much more improved compared to the practical MRI used so far. Another advantage of hyperpolarized MRI is that the MRI is basically free from the radiation, while the problems of radiation exposure caused by the X-ray CT or PET (Positron Emission Tomography) cannot be neglected. In fact, the risk of cancer for Japanese due to the radiation exposure through these diagnoses is exceptionally high among the advanced countries. As the first step of the NSI project, we are developing a system to produce hyperpolarized 3He gas for the diagnosis of serious lung diseases, for example, COPD (Chronic Obstructive Pulmonary Disease). The system employs the same 3He/4He dilution refrigerator and superconducting solenoidal coil as those used for the polarized HD target with some modification allowing the 3He Pomeranchuk cooling and the following rapid melting of the polarized solid 3He to avoid the depolarization. In this report, the present and future steps of our project will be outlined with some latest experimental results.
Optically addressable nuclear spins in a solid with a six-hour coherence time
NASA Astrophysics Data System (ADS)
Zhong, Manjin; Hedges, Morgan P.; Ahlefeldt, Rose L.; Bartholomew, John G.; Beavan, Sarah E.; Wittig, Sven M.; Longdell, Jevon J.; Sellars, Matthew J.
2015-01-01
Space-like separation of entangled quantum states is a central concept in fundamental investigations of quantum mechanics and in quantum communication applications. Optical approaches are ubiquitous in the distribution of entanglement because entangled photons are easy to generate and transmit. However, extending this direct distribution beyond a range of a few hundred kilometres to a worldwide network is prohibited by losses associated with scattering, diffraction and absorption during transmission. A proposal to overcome this range limitation is the quantum repeater protocol, which involves the distribution of entangled pairs of optical modes among many quantum memories stationed along the transmission channel. To be effective, the memories must store the quantum information encoded on the optical modes for times that are long compared to the direct optical transmission time of the channel. Here we measure a decoherence rate of 8 × 10-5 per second over 100 milliseconds, which is the time required for light transmission on a global scale. The measurements were performed on a ground-state hyperfine transition of europium ion dopants in yttrium orthosilicate (151Eu3+:Y2SiO5) using optically detected nuclear magnetic resonance techniques. The observed decoherence rate is at least an order of magnitude lower than that of any other system suitable for an optical quantum memory. Furthermore, by employing dynamic decoupling, a coherence time of 370 +/- 60 minutes was achieved at 2 kelvin. It has been almost universally assumed that light is the best long-distance carrier for quantum information. However, the coherence time observed here is long enough that nuclear spins travelling at 9 kilometres per hour in a crystal would have a lower decoherence with distance than light in an optical fibre. This enables some very early approaches to entanglement distribution to be revisited, in particular those in which the spins are transported rather than the light.
Dynamic-angle spinning and double rotation of quadrupolar nuclei
Mueller, K.T. California Univ., Berkeley, CA . Dept. of Chemistry)
1991-07-01
Nuclear magnetic resonance (NMR) spectroscopy of quadrupolar nuclei is complicated by the coupling of the electric quadrupole moment of the nucleus to local variations in the electric field. The quadrupolar interaction is a useful source of information about local molecular structure in solids, but it tends to broaden resonance lines causing crowding and overlap in NMR spectra. Magic- angle spinning, which is routinely used to produce high resolution spectra of spin-{1/2} nuclei like carbon-13 and silicon-29, is incapable of fully narrowing resonances from quadrupolar nuclei when anisotropic second-order quadrupolar interactions are present. Two new sample-spinning techniques are introduced here that completely average the second-order quadrupolar coupling. Narrow resonance lines are obtained and individual resonances from distinct nuclear sites are identified. In dynamic-angle spinning (DAS) a rotor containing a powdered sample is reoriented between discrete angles with respect to high magnetic field. Evolution under anisotropic interactions at the different angles cancels, leaving only the isotropic evolution of the spin system. In the second technique, double rotation (DOR), a small rotor spins within a larger rotor so that the sample traces out a complicated trajectory in space. The relative orientation of the rotors and the orientation of the larger rotor within the magnetic field are selected to average both first- and second-order anisotropic broadening. The theory of quadrupolar interactions, coherent averaging theory, and motional narrowing by sample reorientation are reviewed with emphasis on the chemical shift anisotropy and second-order quadrupolar interactions experienced by half-odd integer spin quadrupolar nuclei. The DAS and DOR techniques are introduced and illustrated with application to common quadrupolar systems such as sodium-23 and oxygen-17 nuclei in solids.
Fully Relativistic Calculations of Faraday and Nuclear Spin-Induced Optical Rotation in Xenon.
Ikäläinen, Suvi; Lantto, Perttu; Vaara, Juha
2012-01-10
Nuclear spin-induced optical rotation (NSOR) arising from the Faraday effect may constitute an advantageous novel method for the detection of nuclear magnetization. We present first-principles nonrelativistic and relativistic, two- and four-component, basis-set limit calculations of this phenomenon for xenon. It is observed that only by utilization of relativistic methods may one qualitatively reproduce experimental liquid-state NSOR data. Relativistic effects lower the results by 50% as compared to nonrelativistic values. Indeed, relativistic Hartree-Fock calculations at the four-component or exact two-component (X2C) level account for the discrepancy between experimental results and earlier nonrelativistic theory. The nuclear magnetic shielding constant of traditional nuclear magnetic resonance as well as the Verdet constant parametrizing optical rotation due to an external magnetic field were also calculated. A comparison between results obtained using Hartree-Fock and density-functional theory methods at relativistic and nonrelativistic levels, as well as coupled cluster methods at the nonrelativistic level, was carried out. Completeness-optimized basis sets were employed throughout, for the first time in fully relativistic calculations. Full relativity decreases the Verdet constant by 4%. X2C theory decreases the absolute value of NSOR by 10-20% as compared to the four-component data, while for Verdet constants, the results are only slightly smaller than the fully relativistic values. For both properties, two-component calculations decrease the computational time by roughly 90%. Density-functional methods yield substantially larger values of NSOR than the Hartree-Fock theory or experiments. Intermolecular interactions are found to decrease NSOR and, hence, compensate for the electron correlation effect. PMID:26592871
Fractionated Mercury Isotopes in Fish: The Effects of Nuclear Mass, Spin, and Volume
NASA Astrophysics Data System (ADS)
Das, R.; Odom, A. L.
2007-12-01
Mercury is long known as a common environmental contaminant. In methylated form it is even more toxic and the methylation process is facilitated by microbial activities. Methyl mercury easily crosses cell membrane and accumulates in soft tissues of fishes and finally biomagnifies with increasing trophic levels. Natural variations in the isotopic composition of mercury have been reported and such variations have emphasized mass dependent fractionations, while theory and laboratory experiments indicate that mass-independent isotopic fractionation (MIF) effects are likely to be found as well. This study focuses on the MIF of mercury isotopes in the soft tissues of fishes. Samples include both fresh water and marine fish, from different continents and oceans. Approximately 1 gm of fish soft tissue was dissolved in 5 ml of conc. aqua regia for 24 hrs and filtered through a ¬¬¬100 ?m filter paper and diluted with DI water. Hg is measured as a gaseous phase generated by reduction of the sample with SnCl2 in a continuous- flow cold-vapor generator connected to a Thermo-Finnigan Neptune MC-ICPMS. To minimize instrumental fractionation isotope ratios were measured by sample standard bracketing and reported as ?‰ relative to NIST SRM 3133 Hg standard where ?AHg = [(A Hg/202Hg)sample/(A Hg/202Hg)NIST313] -1 ×1000‰. In this study we have measured the isotope ratios 198Hg/202Hg, 199Hg/202Hg, 200Hg/202Hg, 201Hg/202Hg and 204Hg/202Hg. In all the fish samples ?198Hg, ?200Hg, ?202Hg, ?204Hg define a mass- dependent fractionation sequence, where as the ?199Hg and ?201Hg depart from the mass- dependent fractionation line and indicate an excess of the odd-N isotopes. The magnitude of the deviation (?AHg where A=199 or 201) as obtained by difference between the measured ?199Hg and ?201Hg of the samples and the value obtained by linear scaling defined by the even-N isotopes ranges from approximately 0.2 ‰ to 3‰. The ratios of ?199Hg /?201Hg range from 0.8 to 1.3, and thus more than one mass-independent isotope effect is inferred. MIF of mercury can be caused by the nuclear volume effect. Schauble, 2007 has calculated nuclear volume fractionation scaling factors for a number of common mercury chemical species in equilibrium with Hg° vapor. From his calculations the nuclear field shift effect is larger in ?199Hg than in ?201Hg by approximately a factor of two. The predominant mercury chemical species in fish is methylmercury cysteine. From the experimental studies of Buchachenko and others (2004) on the reaction of methylmercury chloride with creatine kinase it seems reasonable to predicted that the thiol functional groups of cysteine gets enriched in 199Hg and 201Hg. Here the magnetic isotope effect (MIE) produces a kinetic partial separation of isotopes with non-zero nuclear spin quantum numbers from the even-N isotopes. The ratio of enrichment of ?201Hg /?199Hg is predicted from theory to be 1.11, which is the ratio of the magnetic moments of 199Hg and 201Hg. Because mercury possesses two odd-N isotopes, it is possible to detect and evaluate the effects of two distinct, mass-independent isotope fractionating processes. From the data obtained on fish samples, we can deconvolute the contributions of the isotope effects of nuclear mass, spin and volume. For these samples the role of spin or the magnetic isotope effect is the most dominant.
Field-induced spin reorientation in [Fe/Cr ] n multilayers studied by nuclear resonance reflectivity
NASA Astrophysics Data System (ADS)
Andreeva, M.; Gupta, A.; Sharma, G.; Kamali, S.; Okada, K.; Yoda, Y.
2015-10-01
We present depth-resolved nuclear resonance reflectivity studies of the magnetization evolution in [57Fe(3nm ) /Cr (1.2 nm ) ] 10 multilayer under applied external field. The measurements have been performed at the station BL09XU of SPring-8 at different values of the external field (0-1500 Oe). We apply the joint fit of the delayed reflectivity curves and the time spectra of the nuclear resonance reflectivity measured at different grazing angles for enhancement of the depth resolution and reliability of results. We show that the azimuth angle, which is used in all papers devoted to the magnetization profile determination, has a more complicated physical sense due to the partially coherent averaging of the scattering amplitudes from magnetic lateral domains. We describe how to select the true azimuth angle from the determined "effective azimuth angle." Finally we obtain the noncollinear twisted magnetization depth profiles where the spin-flop state appears sequentially in different 57Fe layers at increasing applied field.
Gustavo V. Lopez; Lorena Lara
2006-08-28
For a one-dimensional chain of three nuclear spins (one half), we make the numerical simulation of quantum teleportation of a given state from one end of the chain to the other end, taking into account first and second neighbor interactions among the spins. It is shown that a well defined teleportation protocol is achieved for a ratio of the first to second neighbor interaction coupling constant of $J'/J\\ge 0.04$. We also show that the optimum Rabi's frequency to control the non-resonant effects is dominated by the second neighbor interaction coupling parameter ($J'$).
Spin gap behavior in Cu2Sc2Ge4O13 studied using Sc45 nuclear magnetic resonance
NASA Astrophysics Data System (ADS)
Lue, C. S.; Kuo, C. N.; Su, T. H.; Redhammer, G. J.
2007-01-01
We report the results of a Sc45 nuclear magnetic resonance (NMR) study on the quasi-one-dimensional compound Cu2Sc2Ge4O13 at temperatures between 4 and 300K . This material has been a subject of current interest due to indications of spin gap behavior. The temperature-dependent NMR shift exhibits a character of low-dimensional magnetism with a negative broad maximum at Tmax?170K . Below Tmax , the NMR shifts and spin lattice relaxation rates clearly indicate activated responses, confirming the existence of a spin gap in Cu2Sc2Ge4O13 . The experimental NMR data can be well fitted to the spin dimer model, yielding a spin gap value of about 275K which is close to the 25meV peak found in the inelastic neutron scattering measurement. A detailed analysis further points out that the nearly isolated dimer picture is proper for the understanding of spin gap nature in Cu2Sc2Ge4O13 .
A. E. Nikolaenko; E. A. Chekhovich; M. N. Makhonin; I. W. Drouzas; A. B. Vankov; J. Skiba-Szymanska; M. S. Skolnick; P. Senellart; A. Lemaitre; A. I. Tartakovskii
2009-01-15
Nuclear spin polarization dynamics are measured in optically pumped individual GaAs/AlGaAs interface quantum dots by detecting the time-dependence of the Overhauser shift in photoluminescence (PL) spectra. Long nuclear polarization decay times of ~ 1 minute have been found indicating inefficient nuclear spin diffusion from the GaAs dot into the surrounding AlGaAs matrix in externally applied magnetic field. A spin diffusion coefficient two orders lower than that previously found in bulk GaAs is deduced.
Microwave Field Distribution in a Magic Angle Spinning Dynamic Nuclear Polarization NMR Probe
Nanni, Emilio A.; Barnes, Alexander B.; Matsuki, Yoh; Woskov, Paul P.; Corzilius, Björn; Griffin, Robert G.; Temkin, Richard J.
2011-01-01
We present a calculation of the microwave field distribution in a magic angle spinning (MAS) probe utilized in dynamic nuclear polarization (DNP) experiments. The microwave magnetic field (B1S) profile was obtained from simulations performed with the High Frequency Structure Simulator (HFSS) software suite, using a model that includes the launching antenna, the outer Kel-F stator housing coated with Ag, the RF coil, and the 4 mm diameter sapphire rotor containing the sample. The predicted average B1S field is 13µT/W1/2, where S denotes the electron spin. For a routinely achievable input power of 5 W the corresponding value is ? SB1S = 0.84 MHz. The calculations provide insights into the coupling of the microwave power to the sample, including reflections from the RF coil and diffraction of the power transmitted through the coil. The variation of enhancement with rotor wall thickness was also successfully simulated. A second, simplified calculation was performed using a single pass model based on Gaussian beam propagation and Fresnel diffraction. This model provided additional physical insight and was in good agreement with the full HFSS simulation. These calculations indicate approaches to increasing the coupling of the microwave power to the sample, including the use of a converging lens and fine adjustment of the spacing of the windings of the RF coil. The present results should prove useful in optimizing the coupling of microwave power to the sample in future DNP experiments. Finally, the results of the simulation were used to predict the cross effect DNP enhancement (?) vs. ?1S/(2?) for a sample of 13C-urea dissolved in a 60:40 glycerol/water mixture containing the polarizing agent TOTAPOL; very good agreement was obtained between theory and experiment. PMID:21382733
Microwave field distribution in a magic angle spinning dynamic nuclear polarization NMR probe.
Nanni, Emilio A; Barnes, Alexander B; Matsuki, Yoh; Woskov, Paul P; Corzilius, Björn; Griffin, Robert G; Temkin, Richard J
2011-05-01
We present a calculation of the microwave field distribution in a magic angle spinning (MAS) probe utilized in dynamic nuclear polarization (DNP) experiments. The microwave magnetic field (B(1S)) profile was obtained from simulations performed with the High Frequency Structure Simulator (HFSS) software suite, using a model that includes the launching antenna, the outer Kel-F stator housing coated with Ag, the RF coil, and the 4mm diameter sapphire rotor containing the sample. The predicted average B(1S) field is 13?T/W(1/2), where S denotes the electron spin. For a routinely achievable input power of 5W the corresponding value is ?(S)B(1S)=0.84MHz. The calculations provide insights into the coupling of the microwave power to the sample, including reflections from the RF coil and diffraction of the power transmitted through the coil. The variation of enhancement with rotor wall thickness was also successfully simulated. A second, simplified calculation was performed using a single pass model based on Gaussian beam propagation and Fresnel diffraction. This model provided additional physical insight and was in good agreement with the full HFSS simulation. These calculations indicate approaches to increasing the coupling of the microwave power to the sample, including the use of a converging lens and fine adjustment of the spacing of the windings of the RF coil. The present results should prove useful in optimizing the coupling of microwave power to the sample in future DNP experiments. Finally, the results of the simulation were used to predict the cross effect DNP enhancement (?) vs. ?(1S)/(2?) for a sample of (13)C-urea dissolved in a 60:40 glycerol/water mixture containing the polarizing agent TOTAPOL; very good agreement was obtained between theory and experiment. PMID:21382733
De Weerd, R.J.E.M.; De Hann, J.W.; Van de Ven, L.J.M.; Achten, M.; Buck, H.M.
1982-06-24
Observed /sup 13/C NMR chemical shift changes with respect to their single micelles upon mixed-micelle formation of potassium dodecanoate and short-chain potassium carboxylates (hexanoate up to and including decanoate) are described in all but one case to increasing distances between the apolar ends of the long amphiphile chains as compared with its single micelle. Only for dodecanoate-hexanoate micellar systems can a different conformational equilibrium of the dodecanoate chain not be excluded. Furthermore, recently observed solvent effects upon mixing of n-alkanes of different chain lengths are compared with both the decanoate and nonanoate chemical shift changes upon mixing with the dodecanoate amphiphiles. This leads to the conclusion that the former detergents are mainly subject to increased intermolecular chain packing. Observed effects for the octanoate and heptanoate are not as pronounced, and these surfactants should be considered as borderline cases, while the hexanoate undergoes conformational changes toward more extended forms. 46 references.
Maskalick, D.G.
1984-01-01
It is expected that the internal motions of amino acid side chains and protein backbone segments influence and are in turn affected by charge-charge and related interactions, steric constraints, hydrophobic forces, and hydrogen bonding. As an initial test of this theory /sup 13/C-enriched glycine, alanine, and isoleucine have been substituted for the amino terminal valine of sperm whale myoglobin using semisynthetic techniques. /sup 13/C-NMR has been used to analyze the motions of the side chain and the protonation state of the alpha amino group as a function of pH. The addition of a single methyl group to the side chain can alter the alpha amino pK value by as much as 0.3 pH units indicating a delicately balanced set of change-charge interactions between the alpha amino group and the rest of the protein. Further evidence in support of the state theory was found upon examination of the internal motions of seven of nine isoleucine vectors. These motions were extracted from natural abundance /sup 13/C-NMR relaxation data. The results suggest a strong possibility that concerted motions are important. Also, an increase in temperature from 32/sup 0/C to 52/sup 0/C leads to an electrostatically driven tightening of the myoglobin structure as evidenced by no significant increase in motion amplitude of most of the vectors.
Carbon-13 CP-MAS nuclear magnetic resonance studies of teas.
Martínez-Richa, Antonio; Joseph-Nathan, Pedro
2003-05-01
13C CP-MAS NMR spectra of green and black tea were obtained and assigned based on the solid-state NMR spectra of tropolone, (+)-catechin hydrate, gallic acid, caffeine and flavone derivatives. The peak shape and chemical shifts observed for carbonyl carbons in CP-MAS spectra of teas indicate the existence of different chemical species, mainly free phenollic acids and ester derivatives of flavonoids. The peak patterns allow to establish differences between both teas. PMID:12763559
The Spin Dependence of Nuclear Muon Capture by Laser Polarized HELIUM-3.
NASA Astrophysics Data System (ADS)
Bogorad, Paul Lev
1995-01-01
Using the muon beam at TRIUMF, we have made the first measurement of the spin dependence of the reaction: mu^- + ^3He tonu +^3H. This spin dependence is quite sensitive to the induced pseudoscalar form factor, F_{P}, a piece of the weak charged nuclear current of ^3He about which, experimentally, relatively little is known. The ratio of F_{P} to F _{A}, the axial vector form factor, is predicted by the partially conserved axial current hypothesis (PCAC) and the Goldberger-Treiman relation. Thus, a measurement of F_{P} will test our understanding of strong interactions at low energies. The rate of nuclear muon capture in ^3 He is proportional to (1+A_{v }P_{v} {rm cos} theta), where theta is the angle between the muon polarization and the direction of the triton recoil, P_{v} is the muon vector polarization and A_{v } is the vector analyzing power, a preliminary value for which is: A_{v} = .604 +/-.093(stat.)_sp{-142}{+112 }(system.). This value is in agreement with the PCAC prediction of: A_{v}=.524 +/-.006. A measure of the strength of our technique is that the raw forward/backward asymmetry in the triton recoil direction was measured to 11.5% of itself. The design, construction and operation of the device that served both as a polarized target and as a detector for the recoil tritons is the main emphasis of this thesis. The detector, a gridded ion chamber, was incorporated inside a 5 liter target that was filled with 8 atmospheres of ^3He, 100 torr of N_2, and 6 grams of Rb. Muons stopped in the target formed muonic helium atoms and were polarized by collisions with Rb atoms that were optically pumped with lasers. The ion chamber produced clean signals despite operating under the severe conditions required for optical pumping. The direction of the tritons was determined by fitting the shapes of the ionization pulses. Future improvements of our technique appear to provide the most promising avenue to improved understanding of the induced pseudoscalar coupling, F_ {P}, as well as the induced pseudoscalar coupling of the proton, g_{P}. .
Nuclear magnetic resonance data of CBr4
NASA Astrophysics Data System (ADS)
Kalinowski, H.-O.; Kumar, M.; Gupta, V.; Gupta, R.
This document is part of Part 1 `Aliphatic Compounds' of Subvolume D 'Chemical Shifts and Coupling Constants for Carbon-13' of Landolt-Börnstein III/35 'Nuclear Magnetic Resonance Data', Group III 'Condensed Matter'.
. Terbium Double-Decker 1 S3. Nuclear Spin Read-Out 2 S4. Quantum Tunnelling of Magnetization 3 S5. Quantum magnetic field sweeps in three dimensions at field sweep rates up to 0.2 T/s. S2. TERBIUM DOUBLE-DECKER We used a Terbium (III) bis-phthalocyanine single molecule magnet (SMM), which is a metal-organic com
Experimental Investigation of Nuclear Spin Conversion in Interstellar Pre-Cometary Ices
NASA Astrophysics Data System (ADS)
Broadhurst, C. L.; Mumma, M. J.
1992-07-01
High resolution infrared spectroscopy of the H2O upsilon(sub)3 band in Comets P/Halley and Wilson has permitted measurement of individual rotational line intensities (Larson et al. 1989). Mumma et al. (1988) suggested that cosmogonic information is preserved in the relative abundances of the nuclear spin species. The H2O molecule is organized into ortho and para species. In order that the total wave function remain symmetric with respect to H atom exchange, o-species have only asymmetric rotational levels, while p-species have only symmetric levels. The lowest ortho level lies 24 cm^-1 (34 degrees K) above the lowest para level, so the ortho/para ratio will be temperature dependent. Above 60 degrees K, o/p achieves the constant statistical equilibrium value of 3/1. Spin species conversion is prohibited by collisional and radiative processes, and requires a strong nonuniform magnetic field. It is hypothesized that cometary water began as a thin layer of ice condensed on grains in cold interstellar molecular clouds. This ice was subject to UV radiation <200 nm, which initially set o/p at ~25 degrees K or below. The grains subsequently accreted to form comets and this o/p was carried into the nucleus and remained unaltered. When the comet becomes active, outbursts emanate from the interior, where the overburden has provided protection from cosmic ray damage. While in the Oort cloud, the outer layers of a comet experience cosmic ray processing that is capable of resetting o/p to the high temperature limit. Thus, a dynamically new comet, such as Wilson, might be expected to show a statistically equilibrated o/p, whereas a short-period comet, such as P/Halley, might show o/p characteristic of its formation. It also appears that D/H in cometary ice was established in interstellar cloud cores, and did not later equilibrate with nebular gas. D/H for Comet P/Halley lies in the range 6-48 x 10^-5 (Eberhardt et al. 1987), much higher than the diffuse ISM, protosolar, Jupiter, and Saturn values (0.5-3.6 x 10^-5). The cometary range is comparable to D/H for Earth (16 x 10^-5) as well as Uranus, Neptune, and Titan, indicating that these bodies acquired their hydrogen in the form of ices as opposed to nebular H2. Similarly, the D/H range for carbonaceous and ordinary chondrites is high (8-105 x 10^-5), and is thought to reflect incorporation of insterstellar material into meteorites (Zinner, 1988). We have developed a novel experimental apparatus to study nuclear spin conversion during formation and processing of thin mantles of water-based ices. Vapor is condensed in a specially designed cryogenic spectroscopy cell that has no paramagnetic surfaces. The cell is attached to the cold head of a closed-cycle He refrigerator, and the entire refrigerator shroud is placed inside an evacuable FTIR spectrometer. Ice samples are held at ~10 degrees K, and irradiated with VUV, thus simulating conditions in the intermediate density regions of interstellar clouds. The ice is then rapidly heated to the sublimation point; temperature during warm up and cool down is controllable to within 1 degree K. The resultant vapor is captured in the cell and the infrared spectrum collected with the FTS. First results from the experimental program will be presented. References: Eberhardt P. et al. (1987) Astron. Astrophys. 187, 481-184. Larson H.P. et al. (1989) Ap. J. 338, 1106-1114. Mumma et al. (1988) Proc. STScI Conference on Origins and Evolution of Planetary Systems. Zinner E. (1988) in Meteorites in the Early Solar System (eds. J.F. Kerridge and M.S. Matthews) pp. 956-983. Univ. Arizona Press, Tucson. AZ.
Hackmann, J; Glasenapp, Ph; Greilich, A; Bayer, M; Anders, F B
2015-11-13
The real-time spin dynamics and the spin noise spectra are calculated for p and n-charged quantum dots within an anisotropic central spin model extended by additional nuclear electric quadrupolar interactions and augmented by experimental data. Using realistic estimates for the distribution of coupling constants including an anisotropy parameter, we show that the characteristic long time scale is of the same order for electron and hole spins strongly determined by the quadrupolar interactions even though the analytical form of the spin decay differs significantly consistent with our measurements. The low frequency part of the electron spin noise spectrum is approximately 1/3 smaller than those for hole spins as a consequence of the spectral sum rule and the different spectral shapes. This is confirmed by our experimental spectra measured on both types of quantum dot ensembles in the low power limit of the probe laser. PMID:26613469
NASA Astrophysics Data System (ADS)
Hackmann, J.; Glasenapp, Ph.; Greilich, A.; Bayer, M.; Anders, F. B.
2015-11-01
The real-time spin dynamics and the spin noise spectra are calculated for p and n -charged quantum dots within an anisotropic central spin model extended by additional nuclear electric quadrupolar interactions and augmented by experimental data. Using realistic estimates for the distribution of coupling constants including an anisotropy parameter, we show that the characteristic long time scale is of the same order for electron and hole spins strongly determined by the quadrupolar interactions even though the analytical form of the spin decay differs significantly consistent with our measurements. The low frequency part of the electron spin noise spectrum is approximately 1 /3 smaller than those for hole spins as a consequence of the spectral sum rule and the different spectral shapes. This is confirmed by our experimental spectra measured on both types of quantum dot ensembles in the low power limit of the probe laser.
Infrared spectroscopic investigation of nuclear spin conversion in solid CH4.
Sugimoto, Takeru; Yamakawa, Koichiro; Arakawa, Ichiro
2015-12-14
Infrared spectra of solid CH4 were studied in the ?3 and ?4 vibrational regions. The phase I crystal around 30 K showed broad absorption bands, whereas the phase II crystal at 6.9-10.3 K exhibited splitting of these bands after annealing above 20 K. The split peaks were assigned to the librating and almost freely rotating molecules in phase II on the basis of the peak spacings and time evolution of the peak intensities. From the quantitative analysis of the temporal changes of the R(0) and R(1) peak intensities, the relaxation rates of the numbers of molecules with J = 0 (I = 2) and J = 1 (I = 1) were determined in the temperature range of 6.9-10.3 K. We fitted the function resulting from a combination of direct and indirect relaxation processes mediated by phonons to the temperature dependence of these rates and obtained the activation energies of the indirect process: C ? 36 K. Since this value is higher than the energies of perturbed J = 2 states relative to the J = 1 state, we argue that the nuclear spin conversion through the J = 3 state also takes place. PMID:26671373
Spurious finite-size instabilities in nuclear energy density functionals: Spin channel
NASA Astrophysics Data System (ADS)
Pastore, A.; Tarpanov, D.; Davesne, D.; Navarro, J.
2015-08-01
Background: It has been recently shown that some Skyrme functionals can lead to nonconverging results in the calculation of some properties of atomic nuclei. A previous study has pointed out a possible link between these convergence problems and the appearance of finite-size instabilities in symmetric nuclear matter (SNM) around saturation density. Purpose: We show that the finite-size instabilities not only affect the ground-state properties of atomic nuclei, but they can also influence the calculations of vibrational excited states in finite nuclei. Method: We perform systematic fully-self consistent random phase approximation (RPA) calculations in spherical doubly magic nuclei. We employ several Skyrme functionals and vary the isoscalar and isovector coupling constants of the time-odd term s .? s . We determine critical values of these coupling constants beyond which the RPA calculations do not converge because the RPA stability matrix becomes nonpositive. Results: By comparing the RPA calculations of atomic nuclei with those performed for SNM we establish a correspondence between the critical densities in the infinite system and the critical coupling constants for which the RPA calculations do not converge. Conclusions: We find a quantitative stability criterion to detect finite-size instabilities related to the spin s .? s term of a functional. This criterion could be easily implemented in the standard fitting protocols to fix the coupling constants of the Skyrme functional.
Cryogenic sample exchange NMR probe for magic angle spinning dynamic nuclear polarization
Barnes, Alexander B.; Mak-Jurkauskas, Melody L.; Matsuki, Yoh; Bajaj, Vikram S.; van der Wel, Patrick C. A.; DeRocher, Ronald; Bryant, Jeffrey; Sirigiri, Jagadishwar R.; Temkin, Richard J.; Lugtenburg, Johan; Herzfeld, Judith; Griffin, Robert G.
2009-01-01
We describe a cryogenic sample exchange system that dramatically improves the efficiency of magic angle spinning (MAS) dynamic nuclear polarization (DNP) experiments by reducing the time required to change samples and by improving long-term instrument stability. Changing samples in conventional cryogenic MAS DNP/NMR experiments involves warming the probe to room temperature, detaching all cryogenic, RF, and microwave connections, removing the probe from the magnet, replacing the sample, and reversing all the previous steps, with the entire cycle requiring a few hours. The sample exchange system described here — which relies on an eject pipe attached to the front of the MAS stator and a vacuum jacketed dewar with a bellowed hole — circumvents these procedures. To demonstrate the excellent sensitivity, resolution, and stability achieved with this quadruple resonance sample exchange probe, we have performed high precision distance measurements on the active site of the membrane protein bacteriorhodopsin. We also include a spectrum of the tripeptide N-f-MLF-OH at 100 K which shows 30 Hz linewidths. PMID:19356957
Spurious finite-size instabilities in nuclear energy density functionals: spin channel
A. Pastore; D. Tarpanov; D. Davesne; J. Navarro
2015-05-19
It has been recently shown, that some Skyrme functionals can lead to non-converging results in the calculation of some properties of atomic nuclei. A previous study has pointed out a possible link between these convergence problems and the appearance of finite-size instabilities in symmetric nuclear matter (SNM) around saturation density. We show that the finite-size instabilities not only affect the ground state properties of atomic nuclei, but they can also influence the calculations of vibrational excited states in finite nuclei. We perform systematic fully-self consistent Random Phase Approximation (RPA) calculations in spherical doubly-magic nuclei. We employ several Skyrme functionals and vary the isoscalar and isovector coupling constants of the time-odd term $\\mathbf{s}\\cdot \\Delta \\mathbf{s}$ . We determine critical values of these coupling constants beyond which the RPA calculations do not converge because RPA the stability matrix becomes non-positive.By comparing the RPA calculations of atomic nuclei with those performed for SNM we establish a correspondence between the critical densities in the infinite system and the critical coupling constants for which the RPA calculations do not converge. We find a quantitative stability criterion to detect finite-size instabilities related to the spin $\\mathbf{s}\\cdot \\Delta \\mathbf{s}$ term of a functional. This criterion could be easily implemented into the standard fitting protocols to fix the coupling constants of the Skyrme functional.
Spin-mapping of coal structures with ESE and ENDOR (Electron-Nuclear Double Resonance)
Belford, R.L.; Clarkson, R.B.
1989-03-01
Our Laboratory is presently engaged in developing a method to model sulfur-containing compounds in whole coal. It has been established that most of the organic sulfur in coal exists in the form of aromatic groups known as thiophenes. Sulfur-containing aromatic compounds such as thiophene, tetraphenylthiophene and thianthrene were adsorbed onto silica-alumina catalyst surfaces were used as models to emulate coal's anisotropic nature and abundance of unpaired electron spin density. The spectroscopic techniques used were Electron Paramagnetic Resonance (EPR), Electron-Nuclear Double Resonance (ENDOR). EPR spectroscopy is a well established method to characterize g-matrix anisotropy in transition metal compounds. With increased resolution, EPR has become very useful for characterizing the small but still detectable g-matrix anisotropy in organic systems such as coal and the model systems for coal. ENDOR spectroscopy involves the inducement of NMR transitions of the nearby protons while detecting them with an EPR detection scheme which is several orders of magnitude more sensitive than using a NMR detection scheme. Analysis of the ENDOR spectra produced hyperfine information which is characteristic of these sulfur-containing systems. This information will be needed to resolve anisotropic hyperfine spectral features attributable to sulfur content in the analysis of coal macerals. 2 refs., 3 figs.
P. Klos; J. Menéndez; D. Gazit; A. Schwenk
2015-01-23
We perform state-of-the-art large-scale shell-model calculations of the structure factors for elastic spin-dependent WIMP scattering off 129,131Xe, 127I, 73Ge, 19F, 23Na, 27Al, and 29Si. This comprehensive survey covers the non-zero-spin nuclei relevant to direct dark matter detection. We include a pedagogical presentation of the formalism necessary to describe elastic and inelastic WIMP-nucleus scattering. The valence spaces and nuclear interactions employed have been previously used in nuclear structure calculations for these mass regions and yield a good spectroscopic description of these isotopes. We use spin-dependent WIMP-nucleus currents based on chiral effective field theory (EFT) at the one-body level and including the leading long-range two-body currents due to pion exchange, which are predicted in chiral EFT. Results for all structure factors are provided with theoretical error bands due to the nuclear uncertainties of WIMP currents in nuclei.
Chalupský, Jakub Yanai, Takeshi
2013-11-28
The derivation, implementation, and validation of a new approximation to the two-electron spin–orbit coupling (SOC) terms is reported. The approximation, referred to as flexible nuclear screening spin–orbit, is based on the effective one-electron spin–orbit operator and accounts for two-electron SOC effects by screening nuclear charges. A highly flexible scheme for the nuclear screening is developed, mainly using parameterization based on ab initio atomic SOC calculations. Tabulated screening parameters are provided for contracted and primitive Gaussian-type basis functions of the ANO-RCC basis set for elements from H to Cm. The strategy for their adaptation to any other Gaussian basis set is presented and validated. A model to correct for the effect of splitting of transition metal d orbitals on their SOC matrix elements is introduced. The method is applied to a representative set of molecules, and compared to exact treatment and other approximative approaches at the same level of relativistic theory. The calculated SOC matrix elements are in very good agreement with their “exact” values; deviation below 1% is observed on average. The presented approximation is considered to be generally applicable, simple to implement, highly efficient, and accurate.
Nozirov, Farhod E-mail: farhod.nozirov@gmail.com; Stachów, Micha?; Kupka, Teobald E-mail: farhod.nozirov@gmail.com
2014-04-14
A theoretical prediction of nuclear magnetic shieldings and indirect spin-spin coupling constants in 1,1-, cis- and trans-1,2-difluoroethylenes is reported. The results obtained using density functional theory (DFT) combined with large basis sets and gauge-independent atomic orbital calculations were critically compared with experiment and conventional, higher level correlated electronic structure methods. Accurate structural, vibrational, and NMR parameters of difluoroethylenes were obtained using several density functionals combined with dedicated basis sets. B3LYP/6-311++G(3df,2pd) optimized structures of difluoroethylenes closely reproduced experimental geometries and earlier reported benchmark coupled cluster results, while BLYP/6-311++G(3df,2pd) produced accurate harmonic vibrational frequencies. The most accurate vibrations were obtained using B3LYP/6-311++G(3df,2pd) with correction for anharmonicity. Becke half and half (BHandH) density functional predicted more accurate {sup 19}F isotropic shieldings and van Voorhis and Scuseria's ?-dependent gradient-corrected correlation functional yielded better carbon shieldings than B3LYP. A surprisingly good performance of Hartree-Fock (HF) method in predicting nuclear shieldings in these molecules was observed. Inclusion of zero-point vibrational correction markedly improved agreement with experiment for nuclear shieldings calculated by HF, MP2, CCSD, and CCSD(T) methods but worsened the DFT results. The threefold improvement in accuracy when predicting {sup 2}J(FF) in 1,1-difluoroethylene for BHandH density functional compared to B3LYP was observed (the deviations from experiment were ?46 vs. ?115 Hz)
Proton to carbon-13 INEPT in solid-state NMR spectroscopy.
Elena, Bénédicte; Lesage, Anne; Steuernagel, Stefan; Böckmann, Anja; Emsley, Lyndon
2005-12-14
A refocused INEPT through-bond coherence transfer technique is demonstrated for NMR of rigid organic solids and is shown to provide a valuable building block for the development of NMR correlation experiments in biological solids. The use of efficient proton homonuclear dipolar decoupling in combination with a direct spectral optimization procedure provides minimization of the transverse dephasing of coherences and leads to very efficient through-bond (1)H-(13)C INEPT transfer for crystalline organic compounds. Application of this technique to 2D heteronuclear correlation spectroscopy leads to up to a factor of 3 increase in sensitivity for a carbon-13 enriched sample in comparison to standard through-bond experiments and provides excellent selectivity for one-bond transfer. The method is demonstrated on a microcrystalline sample of the protein Crh (2 x 10.4 kDa). PMID:16332079
Nuclear spin relaxation times in hydrogen-helium and methane-helium slush at 4 MHz using pulsed NMR
NASA Astrophysics Data System (ADS)
Hamida, J. A.
2005-03-01
We compare the nuclear spin-lattice and nuclear spin-spin relaxation times observed for small grains of hydrogen suspended in liquid helium (hydrogen-helium ``slush'') with that of methane-helium ``slush.'' The transport properties of these ``slush'' materials are critical to NASA's goal of realizing atomic propellant designs for future spacecraft. Atoms of active propellants are stored cryogenically in a host matrix such as hydrogen (H2) or methane (CH4) to prevent recombination while liquid helium is ideal for holding the host matrix and for easy transportation. The host matrix must therefore be stable in liquid helium. We find that for hydrogen ``slush,'' NMR rate is consistent with scattering at grain boundaries due to the large electric quadrupole moment of hydrogen; on the other hand the ``slush'' rate for methane is consistent with internal diffusion as opposed to surface scattering. We conclude that for atomic propellants, methane is a better host than hydrogen because grains of methane are better isolated from the helium bath.
Theory of long-lived nuclear spin states in methyl groups and quantum-rotor induced polarisation
Dumez, Jean-Nicolas; Håkansson, Pär; Mamone, Salvatore; Meier, Benno; Stevanato, Gabriele; Hill-Cousins, Joseph T.; Roy, Soumya Singha; Brown, Richard C. D.; Pileio, Giuseppe; Levitt, Malcolm H.
2015-01-28
Long-lived nuclear spin states have a relaxation time much longer than the longitudinal relaxation time T{sub 1}. Long-lived states extend significantly the time scales that may be probed with magnetic resonance, with possible applications to transport and binding studies, and to hyperpolarised imaging. Rapidly rotating methyl groups in solution may support a long-lived state, consisting of a population imbalance between states of different spin exchange symmetries. Here, we expand the formalism for describing the behaviour of long-lived nuclear spin states in methyl groups, with special attention to the hyperpolarisation effects observed in {sup 13}CH{sub 3} groups upon rapidly converting a material with low-barrier methyl rotation from the cryogenic solid state to a room-temperature solution [M. Icker and S. Berger, J. Magn. Reson. 219, 1 (2012)]. We analyse the relaxation properties of methyl long-lived states using semi-classical relaxation theory. Numerical simulations are supplemented with a spherical-tensor analysis, which captures the essential properties of methyl long-lived states.
NASA Astrophysics Data System (ADS)
Guerrero M., Roberto J.; Rojas, F.
2015-06-01
We have studied the thermal entanglement as a function of the temperature for a two-qubits Heisenberg spins system; we have included Dzyaloshinskii-Moriya interaction (DM), an external magnetic field (EMF) and hyperfine interaction due to the nuclear field of the surrounding nuclei. A critical value for the EMF was found, around mT, which characterizes two regimes of behavior of the thermal entanglement. Our results show that the DM term acts as a facilitator for the entanglement because it prolongs the nonzero thermal entanglement for larger temperatures. We found that the concurrence as a function of the temperature has a local maximum, for values of the magnetic field larger than the critical field. We also show that the critical temperature follows a polynomial growth as a function of the DM term, with characteristic behavior , and the hyperfine field implies a critical temperature as a function of the field variance, of the form . We show that in this system, the entanglement measure by the concurrence and the one-spin polarization observable exhibit opposite behavior, providing a method to obtain the entanglement from the measurement of an observable.
Severson, M.L.
1984-01-01
Theoretical studies are presented for the conformational dependencies of vicinal /sup 13/C-/sup 13/C coupling constants within a variety of saturated and unsaturated molecular frameworks. Using the molecular orbital approach of Blizzard and Santry, it is shown that three distinct patterns of dihedral angle versus /sup 3/H/sub CC/sup contract/ coupling are produced, depending upon the degree of double bonding present within the direct coupling path. By means of calculations that involve modifying the various exchange integrals, two of these coupling patterns are found to depend on sigma-..pi.. exchange. A rationalization of the origin of these coupling patterns is presented. In all systems studied, the orbital and dipolar contributions to the vicinal coupling constant are calculated to be negligible compared to the Fermi contact mechanism except in conjugated systems. The FP/INDO molecular orbital method is employed in the investigation of substitutent effects on /sup 1/H-/sup 1/H coupling constants in substituted ethanes, ethylenes, and benzenes. Substituent effects are simulated by varying the (1/2)(I + A) INDO parameters on two different types of pseudoatoms, one essentially a pseudo-hydrogen and the other involving 2s and 2p orbitals on two centers. A review of the theory of nuclear spin-spin coupling is presented.
Martin, Rachel W; Jachmann, Rebecca C; Sakellariou, Dimitris; Nielsen, Ulla Gro; Pines, Alexander
2005-08-01
High-resolution NMR spectra of materials subject to anisotropic broadening are usually obtained by rotating the sample about the magic angle, which is 54.7 degrees to the static magnetic field. In projected magic angle spinning (p-MAS), the sample is spun about two angles, neither of which is the magic angle. This provides a method of obtaining isotropic spectra while spinning at shallow angles. The p-MAS experiment may be used in situations where spinning the sample at the magic angle is not possible due to geometric or other constraints, allowing the choice of spinning angle to be determined by factors such as the shape of the sample, rather than by the spin physics. The application of this technique to bovine tissue samples is demonstrated as a proof of principle for future biological or medical applications. PMID:16032677
SivaRanjan, Uppala; Ramachandran, Ramesh
2014-02-01
A quantum-mechanical model integrating the concepts of reduced density matrix and effective Hamiltonians is proposed to explain the multi-spin effects observed in rotational resonance (R(2)) nuclear magnetic resonance (NMR) experiments. Employing this approach, the spin system of interest is described in a reduced subspace inclusive of its coupling to the surroundings. Through suitable model systems, the utility of our theory is demonstrated and verified with simulations emerging from both analytic and numerical methods. The analytic results presented in this article provide an accurate description/interpretation of R(2) experimental results and could serve as a test-bed for distinguishing coherent/incoherent effects in solid-state NMR. PMID:24511916
SivaRanjan, Uppala; Ramachandran, Ramesh
2014-02-07
A quantum-mechanical model integrating the concepts of reduced density matrix and effective Hamiltonians is proposed to explain the multi-spin effects observed in rotational resonance (R{sup 2}) nuclear magnetic resonance (NMR) experiments. Employing this approach, the spin system of interest is described in a reduced subspace inclusive of its coupling to the surroundings. Through suitable model systems, the utility of our theory is demonstrated and verified with simulations emerging from both analytic and numerical methods. The analytic results presented in this article provide an accurate description/interpretation of R{sup 2} experimental results and could serve as a test-bed for distinguishing coherent/incoherent effects in solid-state NMR.
Gustavo V. Lopez; Lorena Lara
2006-08-28
We present the study of a quantum Controlled-Controlled-Not gate, implemented in a chain of three nuclear spins weakly Ising interacting between all of them, that is, taking into account first and second neighbor spin interactions. This implementation is done using a single resonant $\\pi$-pulse on the initial state of the system (digital and superposition). The fidelity parameter is used to determine the behavior of the CCN quantum gate as a function of the ratio of the second neighbor interaction coupling constant to the first neighbor interaction coupling constant ($J'/J$). We found that for $J'/J\\ge 0.02$ we can have a well defined CCN quantum gate.
NASA Astrophysics Data System (ADS)
Ito, T. U.; Higemoto, W.; Sakai, A.; Tsujimoto, M.; Nakatsuji, S.
2015-09-01
The nature of multipolar order and hyperfine-enhanced (HE) 141Pr nuclear spin dynamics in PrV2Al20 was investigated using the muon spin relaxation technique. No explicit sign of time-reversal symmetry breaking was found below the multipolar order temperature TQ˜0.6 K in a zero applied field as anticipated on the basis of the antiferroquadrupolar (AFQ) order picture proposed by Sakai and Nakatsuji [J. Phys. Soc. Jpn. 80, 063701 (2011), 10.1143/JPSJ.80.063701]. Further evidence of the nonmagnetic ground state was obtained from the observation of HE 141Pr nuclear spin fluctuations in the MHz scale. A marked increase in the muon spin-lattice relaxation rate (1 /T1 ,?) was observed below 1 K with decreasing temperature, which was attributed to the perturbation on the HE 141Pr nuclear spin dynamics associated with the development of AFQ correlations. The longitudinal field dependence of 1 /T1 ,? revealed that the enhanced 141Pr nuclear spin accidentally has an effective gyromagnetic ratio close to that of the muon.
Electrically driven nuclear spin resonance in a single-molecule magnet
Vallette, Bruno
molecular magnet #12;Tb3+ TbPc2 molecular magnet #12;· terbium double-decker (TbPc2) electronic spin J = 6;· terbium double-decker (TbPc2) electronic spin J = 6 µ 9 µB mJ = ±5 (ES) E = 600 K mJ = ±6 (GS += · terbium double-decker (TbPc2) electronic spin J = 6 µ 9 µB mJ = ±5 (ES) E = 600 K mJ = ±6 (GS
Nuclear magnetic resonance data of C6H14NCl
NASA Astrophysics Data System (ADS)
Kalinowski, H.-O.; Kumar, M.; Gupta, V.; Gupta, R.
This document is part of Part 1 `Aliphatic Compounds' of Subvolume D 'Chemical Shifts and Coupling Constants for Carbon-13' of Landolt-Börnstein III/35 'Nuclear Magnetic Resonance Data', Group III 'Condensed Matter'.
Nuclear structure of 178Hf related to the spin-16, 31-year isomer
Yang Sun; Xian-Rong Zhou; Gui-Lu Long; En-Guang Zhao; Philip M. Walker
2004-05-19
The projected shell model is used to study the multi-quasiparticle and collective excitations of 178Hf. With an axially symmetric basis, the spin-16 isomer at 2.4 MeV appears to be well separated in energy/spin space from other configurations. However, projected energy surface calculations suggest that 178Hf has significant softness to axially asymmetric shapes, which can strongly modify the level distribution. The implications for photodeexitation of the isomer are discussed.
Efficient calculation of nuclear spin-rotation constants from auxiliary density functional theory.
Zuniga-Gutierrez, Bernardo; Camacho-Gonzalez, Monica; Bendana-Castillo, Alfonso; Simon-Bastida, Patricia; Calaminici, Patrizia; Köster, Andreas M
2015-09-14
The computation of the spin-rotation tensor within the framework of auxiliary density functional theory (ADFT) in combination with the gauge including atomic orbital (GIAO) scheme, to treat the gauge origin problem, is presented. For the spin-rotation tensor, the calculation of the magnetic shielding tensor represents the most demanding computational task. Employing the ADFT-GIAO methodology, the central processing unit time for the magnetic shielding tensor calculation can be dramatically reduced. In this work, the quality of spin-rotation constants obtained with the ADFT-GIAO methodology is compared with available experimental data as well as with other theoretical results at the Hartree-Fock and coupled-cluster level of theory. It is found that the agreement between the ADFT-GIAO results and the experiment is good and very similar to the ones obtained by the coupled-cluster single-doubles-perturbative triples-GIAO methodology. With the improved computational performance achieved, the computation of the spin-rotation tensors of large systems or along Born-Oppenheimer molecular dynamics trajectories becomes feasible in reasonable times. Three models of carbon fullerenes containing hundreds of atoms and thousands of basis functions are used for benchmarking the performance. Furthermore, a theoretical study of temperature effects on the structure and spin-rotation tensor of the H(12)C-(12)CH-DF complex is presented. Here, the temperature dependency of the spin-rotation tensor of the fluorine nucleus can be used to identify experimentally the so far unknown bent isomer of this complex. To the best of our knowledge this is the first time that temperature effects on the spin-rotation tensor are investigated. PMID:26374014
Efficient calculation of nuclear spin-rotation constants from auxiliary density functional theory
NASA Astrophysics Data System (ADS)
Zuniga-Gutierrez, Bernardo; Camacho-Gonzalez, Monica; Bendana-Castillo, Alfonso; Simon-Bastida, Patricia; Calaminici, Patrizia; Köster, Andreas M.
2015-09-01
The computation of the spin-rotation tensor within the framework of auxiliary density functional theory (ADFT) in combination with the gauge including atomic orbital (GIAO) scheme, to treat the gauge origin problem, is presented. For the spin-rotation tensor, the calculation of the magnetic shielding tensor represents the most demanding computational task. Employing the ADFT-GIAO methodology, the central processing unit time for the magnetic shielding tensor calculation can be dramatically reduced. In this work, the quality of spin-rotation constants obtained with the ADFT-GIAO methodology is compared with available experimental data as well as with other theoretical results at the Hartree-Fock and coupled-cluster level of theory. It is found that the agreement between the ADFT-GIAO results and the experiment is good and very similar to the ones obtained by the coupled-cluster single-doubles-perturbative triples-GIAO methodology. With the improved computational performance achieved, the computation of the spin-rotation tensors of large systems or along Born-Oppenheimer molecular dynamics trajectories becomes feasible in reasonable times. Three models of carbon fullerenes containing hundreds of atoms and thousands of basis functions are used for benchmarking the performance. Furthermore, a theoretical study of temperature effects on the structure and spin-rotation tensor of the H12C-12CH-DF complex is presented. Here, the temperature dependency of the spin-rotation tensor of the fluorine nucleus can be used to identify experimentally the so far unknown bent isomer of this complex. To the best of our knowledge this is the first time that temperature effects on the spin-rotation tensor are investigated.
Y. V. Stadnik; V. V. Flambaum
2015-01-22
We calculate the proton and neutron spin contributions for nuclei using semi-empirical methods, as well as a novel hybrid \\emph{ab initio}/semi-empirical method, for interpretation of experimental data. We demonstrate that core-polarisation corrections to \\emph{ab initio} nuclear shell model calculations generally reduce discrepancies in proton and neutron spin expectation values from different calculations. We derive constraints on the spin-dependent P,T-violating interaction of a bound proton with nucleons, which for certain ranges of exchanged pseudoscalar boson masses improve on the most stringent laboratory limits by several orders of magnitude. We derive a limit on the CPT and Lorentz-invariance-violating parameter $|\\tilde{b}_{\\perp}^p| < 7.6 \\times 10^{-33}$ GeV, which improves on the most stringent existing limit by a factor of 8, and demonstrate sensitivities to the parameters $\\tilde{d}_{\\perp}^p$ and $\\tilde{g}_{ D\\perp}^p$ at the level $\\sim 10^{-29} - 10^{-28}$ GeV, which is a one order of magnitude improvement compared to the corresponding existing sensitivities. We extend previous analysis of nuclear anapole moment data for Cs to obtain new limits on several other CPT and Lorentz-invariance-violating parameters: $\\left|b_0^p \\right| < 7 \\times 10^{-8}$ GeV, $\\left|d_{00}^p \\right| < 8 \\times 10^{-8}$, $\\left|b_0^n \\right| < 3 \\times 10^{-7}$ GeV and $\\left|d_{00}^n \\right| < 3 \\times 10^{-7}$.
Nuclear spin polarization following intermediate-energy heavy-ion reactions
Groh, D. E.; Pinter, J. S.; Mantica, P. F.; Mertzimekis, T. J.; Stuchbery, A. E.; Khoa, D. T.
2007-11-15
Intermediate-energy heavy-ion collisions can produce a spin polarization of the projectile-like species. Spin polarization has been observed for both nucleon removal and nucleon pickup processes. Qualitative agreement with measured spin polarization as a function of the momentum of the projectile-like fragment is found in a kinematic model that considers conservation of linear and angular momentum and assumes peripheral interactions between the fast projectile and target. Better quantitative agreement was reached by including more realistic angular distributions and deorientation caused by {gamma}-ray emission and by correcting for the out-of-plane acceptance. The newly introduced corrections were found to apply to both nucleon removal and nucleon pickup processes.
NASA Astrophysics Data System (ADS)
Roberts, Christopher Chad
1998-11-01
Phenylethynyl-terminated imide oligomers (PETI) are currently considered the state-of-the-art high performance resins for aerospace applications. The processing of these resins is more facile because of their low molecular weight, but PETI's cure to form a tough, solvent-resistant material. However, the final cure structure was a complete mystery. Hence, the present study was set forth with three essential goals. The determination of the final structure of the crosslinked polymer is of obvious importance. Second, the crosslinking mechanism and controlling factors is also of interest. Lastly, the final structure of the crosslinked polymers was correlated with mechanical and thermal properties, thereby helping to establish the structure-processing-properties relationships for PETI resins. These goals were accomplished by using a combination of synthesis of model compounds synthesis and proposed cure products, sp{13}C labeling of the ethynyl endgroup in PETI's, monitoring of the thermal cure using solid state sp{13}C NMR and ESR and molecular modeling techniques. Phenylethynyl endcapping agents, 4-(phenylethynyl)phthalic anhydride (PEPA) and 3-(phenylethynyl)aniline (3PEA), were synthesized via the palladium-catalyzed coupling of phenylacetylene with 4-bromophthalic anhydride or 3-iodonitrobenzene followed by reduction to 3PEA, respectively. Isolated yields of 41 and 86% for 3PEA and PEPA were obtained, respectively. Model compounds were synthesized from 3PEA and PEPA by reacting with them the appropriate aniline or phthalic anhydride derivative. Model compounds included N-pentafluorophenyl-4-(phenylethynyl)phthalimide (PEPA/F5An), N-(4-trifluoromethyl-phenyl)4-(phenylethynyl)phthalimide (PEPA/F3CAn), N-lbrack 3-(phenylethynyl)phenylrbrack\\ phthalimide (3PEA/PA), N-phenyl-4-(phenylethynyl)phthalimide (PEPA/An), N-(4-phenoxyphenyl)4-(phenylethynyl)phthalimide (PEPA/POAn), and N-(1-naphthyl)-4-(phenylethynyl)phthalimide (PEPA/Anaph). Proposed cure products such as cyclotrimers and linear oligomers (polyenes) were also synthesized from PEPA/An and analyzed in terms of spectroscopic and thermal properties. The conversion of alpha,beta-sp{13}C-acetophenone to alpha,beta-sp{13}C-phenylacetylene using a LDA/phosphate ester procedure was readily accomplished, and following a silver salt purification, the labeled enylacetylene was immediately reacted with 4-bromophthalic anhydride under Heck coupling conditions. A 29% yield of recrystallized 4-(phenylethynyl-alpha,beta-sp{13}Csb2)phthalic anhydride was obtained based on acetophenone. By adjusting the stoichiometry, sp{13}C labeled phenylethynyl-terminated imide oligomers (PETI) were synthesized with Msb{n} of 2,000 to 9,000 daltons. The thermal curing of PETI's and model compounds was monitored via solid state sp{13}C nuclear magnetic resonance, electron spin resonance spectroscopy and differential scanning calorimetry. Using solid state sp{13}C NMR, several cure products were identified. The effects of post-curing and oligomer chain length on the final structure of the cured resins were also examined. Electron spin resonance spectra were obtained on unlabeled PETI's before and after heating at 250-410sp°C. ESR signals suggest that the curing of these resins involves a carbon centered radical. The cure parameters of model compounds as determined by DSC were tabulated and compared. Molecular mechanics and semi-empirical calculations were employed to calculate theoretical bond orders, ionization potentials, HOMO-LUMO gaps, point charges and molecular volumes. The cure profiles of the model compounds were rationalized using these molecular parameters. All of the present data is consistent with the proposed curing mechanisms and cure products. The dominant factors include the chain length of the reactive oligomer, the backbone structure and steric hindrance around the ethynyl group. Although less defined, the electronics and flexibility around the ethynyl group also appear to be factors in determining the structure of the cured resin. In addition, several relationships between the fina
Evolution of nuclear shapes at high spins as determined by lifetime measurements
Johnson, N.
1986-01-01
Lifetime measurements of high spin states are obtained by the Doppler-shift recoil-distance method. Transition quadrupole moments are extracted from these data. Expanding on earlier experimental work, lifetime and moment of inertia measurements were made for /sup 172/W. The data for transition quadrupole moments for the yrast states reveals an unexpected drop at high spin which can be explained by the simultaneous alignment of h/sub 9/2/ protons and i/sub 13/2/ neutrons. This conclusion is supported by moment of inertia measurements which show evidence of a 3-band crossing. 9 refs., 10 figs., 2 tabs. (DWL)
Devices and process for high-pressure magic angle spinning nuclear magnetic resonance
Hoyt, David W; Sears, Jr., Jesse A; Turcu, Romulus V.F.; Rosso, Kevin M; Hu, Jian Zhi
2014-04-08
A high-pressure magic angle spinning (MAS) rotor is detailed that includes a high-pressure sample cell that maintains high pressures exceeding 150 bar. The sample cell design minimizes pressure losses due to penetration over an extended period of time.
Preparation of highly polarized nuclear spin systems using brute-force and low-field thermal mixing.
Gadian, David G; Panesar, Kuldeep S; Linde, Angel J Perez; Horsewill, Anthony J; Köckenberger, Walter; Owers-Bradley, John R
2012-04-28
Over the years, several strategies have been developed for generating highly polarized nuclear spin systems, including dynamic nuclear polarization, optical pumping, and methods exploiting parahydrogen. Here, we present an alternative strategy, using an enhanced 'brute-force' approach (i.e. exposure to low temperatures and high applied magnetic fields). The main problem with this approach is that it may take an excessively long time for the nuclear polarization to approach thermal equilibrium at low temperatures, since nuclear relaxation becomes exceedingly slow due to the loss of molecular motion. We show that low-field thermal mixing can alleviate the problem by increasing the rate at which slowly-relaxing nuclei reach equilibrium. More specifically, we show that polarization can be transferred from a relatively rapidly relaxing (1)H reservoir to more slowly relaxing (13)C and (31)P nuclei. The effects are particularly dramatic for the (31)P nuclei, which in experiments at a temperature of 4.2 K and a field of 2 T show a 75-fold enhancement in their effective rate of approach to equilibrium, and an even greater (150-fold) enhancement in the presence of a relaxation agent. The mixing step is also very effective in terms of the amount of polarization transferred-70-90% of the maximum theoretical value in the experiments reported here. These findings have important implications for brute-force polarization, for the problem becomes one of how to relax the solvent protons rather than individual more slowly-relaxing nuclei of interest. This should be a much more tractable proposition, and offers the additional attraction that a wide range of nuclear species can be polarized simultaneously. We further show that the (1)H reservoir can be tapped repeatedly through a number of consecutive thermal mixing steps, and that this could provide additional sensitivity enhancement in solid-state NMR. PMID:22407281
NASA Astrophysics Data System (ADS)
Furukawa, Takeshi
2014-09-01
We have been developing a new laser spectroscopy technique named as OROCHI (Optical RI-atom Observation in Condensed Helium as Ion-catcher) for measurements of nuclear spins and electromagnetic moments of low yield exotic radioisotopes (RIs). In this technique, we use superfluid helium (He II) liquid as a stopping material of RI beam in which in-situ laser spectroscopy of the RI atoms stopped in He II is carried out. The characteristic features of He II, i.e. high trapping efficiency of He II liquid for accelerated ion beams and the characteristics of atomic spectra in He II, enables us to measure the nuclear spins and moments of the extremely low yield RIs. So far, we have demonstrated the feasibility of our method to deduce the nuclear spins and moments with stable Rb, Cs, Ag and Au isotopes supplied into He II by laser sputtering technique. In addition, we have also succeeded in observing laser-radiowave/microwave double resonance signals of 84-87Rb atoms injected into He II as energetic ion beam. In these on-line experiment, the 84-87Rb isotope beams (intensity: up to 105 particles/s) were provided with RIPS beamline in RIKEN, and introduced into He II filled in a cryostat. Special care was taken in controlling the stopping position of injected Rb isotopes. Aluminum energy degraders of varied thickness from 0 to 0.8 mm were placed upstream of the beam injection window of the He II cryostat for optimizing the stopping position The 84-87Rb atoms stopped and then neutralized in He II were optically pumped and polarized with circularly polarized pumping laser light whose wavelength were tuned to 780 nm, D1 absorption line of Rb atoms in He II. The polarized atoms were subjected to irradiation of radiowave or microwave, and then we demonstrated the double resonance spectroscopy for observing the Zeeman transition of 84-87Rb atoms and the hyperfine transition of 87Rb, respectively In this presentation we will show the details of OROCHI technique and the present status of our development, in particular the result of the recent on-line experiment.
Solid-State Dynamic Nuclear Polarization at 263 GHz: Spectrometer Design and Experimental Results
Rosay, Melanie
Dynamic Nuclear Polarization (DNP) experiments transfer polarization from electron spins to nuclear spins with microwave irradiation of the electron spins for enhanced sensitivity in nuclear magnetic resonance (NMR) ...
Nuclear quadrupole resonance of spin 3/2 and entangled two-qubit states
NASA Astrophysics Data System (ADS)
Furman, G.; Goren, S. D.; Meerovich, V.; Sokolovsky, V.
2015-10-01
A single spin-3/2, possessing a quadrupole moment and placed in a non-uniform electric field, is isomorphic to a system of two spins of 1/2, which can be represented as two qubits. To create these qubits, the degeneracy of the energy levels is removed by applying two radio-frequency fields with different phases and directions. The properties of entanglement between two qubits are studied. We analyze the concurrence, the entropy of entanglement, and fluctuations of the entropy in the pure and mixed states. Concurrence and entropy of entanglement in a mixed state increase with decreasing temperature and approach to their values in a pure state. For a nucleus Cu in high temperature superconductor {{YBa}}2{{Cu}}3{{{O}}}7-? , the estimation of the temperature, at which entanglement appears, gives T ?slant 0.8 ?K.
NASA Technical Reports Server (NTRS)
1974-01-01
The survey of negative pion absorption reactions on light and medium nuclei was continued. Muon spin precession was studied using an iron target. An impulse approximation model of the pion absorption process implied that the ion will absorb almost exclusively on nucleon pairs, single nucleon absorption being suppressed by energy and momentum conservation requirements. For measurements on both paramagnetic and ferromagnetic iron, the external magnetic field was supplied by a large C-type electromagnet carrying a current of about 100 amperes.
Farnan, Ian; Cho, Herman; Weber, William J.
2007-07-01
In the characterisation of amorphization or local disordering due to actinide radiation damage, nuclear magnetic resonance (NMR) spectroscopy is attractive because it is element specific and equally sensitive to local structure in crystalline and amorphous materials. Here, we have applied high-resolution solid-state NMR spectroscopy (magic-angle spinning) to radiation damaged natural minerals containing {sup 238}U/{sup 232}Th to determine the 'number fraction' of amorphous material (fa) through spin-counting techniques. In samples with a known alpha dose, the number of atoms displaced per alpha decay may be determined from an integration of the spectrum. A protocol for performing similar radiological magic-angle spinning experiments on plutonium containing ceramic samples with an activity of > 5 GBq is described. Results obtained have allowed data from ancient, radiation damaged mineral samples of ZrSiO{sub 4} ({sup 238}U/{sup 232}Th) to be compared with modern {sup 238}/{sup 239}Pu doped ceramic ZrSiO{sub 4} samples. The number of atomic displacements per alpha particle from {sup 239}Pu is similar to that for {sup 238}U/{sup 232}Th (4980 {+-} 300/{alpha}). At lower {alpha}-doses there are significant differences in the amorphous volume fraction (observed by density and X-ray diffraction) and the number fraction of displaced atoms (as measured by NMR) as a function of cumulative dose. These differences arise from local density considerations that manifest themselves in the local structure of the amorphous and crystalline phases. Using ab initio simulations of the damaged crystalline and amorphous regions, the magnetic response of these structures and hence the NMR shifts can be compared with experiment to reveal the nature of radiation induced changes occurring at the local scale. (authors)
NASA Astrophysics Data System (ADS)
Chang, Zhiwei; Halle, Bertil
2013-10-01
In complex biological or colloidal samples, magnetic relaxation dispersion (MRD) experiments using the field-cycling technique can characterize molecular motions on time scales ranging from nanoseconds to microseconds, provided that a rigorous theory of nuclear spin relaxation is available. In gels, cross-linked proteins, and biological tissues, where an immobilized macromolecular component coexists with a mobile solvent phase, nuclear spins residing in solvent (or cosolvent) species relax predominantly via exchange-mediated orientational randomization (EMOR) of anisotropic nuclear (electric quadrupole or magnetic dipole) couplings. The physical or chemical exchange processes that dominate the MRD typically occur on a time scale of microseconds or longer, where the conventional perturbation theory of spin relaxation breaks down. There is thus a need for a more general relaxation theory. Such a theory, based on the stochastic Liouville equation (SLE) for the EMOR mechanism, is available for a single quadrupolar spin I = 1. Here, we present the corresponding theory for a dipole-coupled spin-1/2 pair. To our knowledge, this is the first treatment of dipolar MRD outside the motional-narrowing regime. Based on an analytical solution of the spatial part of the SLE, we show how the integral longitudinal relaxation rate can be computed efficiently. Both like and unlike spins, with selective or non-selective excitation, are treated. For the experimentally important dilute regime, where only a small fraction of the spin pairs are immobilized, we obtain simple analytical expressions for the auto-relaxation and cross-relaxation rates which generalize the well-known Solomon equations. These generalized results will be useful in biophysical studies, e.g., of intermittent protein dynamics. In addition, they represent a first step towards a rigorous theory of water 1H relaxation in biological tissues, which is a prerequisite for unravelling the molecular basis of soft-tissue contrast in clinical magnetic resonance imaging.
Sensing of single nuclear spins in random thermal motion with proximate nitrogen-vacancy centers
M. Bruderer; P. Fernández-Acebal; M. B. Plenio
2015-08-04
Nitrogen-vacancy (NV) centers in diamond have emerged as a valuable tool for sensing and polarizing spins. Motivated by potential applications in chemistry, biology and medicine we show that NV-based sensors are capable of detecting single spin targets even if they undergo diffusive motion in an ambient thermal environment. Focusing on experimentally relevant diffusion regimes we derive an effective model for the NV-target interaction, where parameters entering the model are obtained from numerical simulations of the target motion. The practicality of our approach is demonstrated by analyzing two realistic experimental scenarios: (i) time-resolved sensing of a fluorine target bound to an NHC-Ru catalyst that is immobilized on the diamond surface and (ii) detection of an electron spin label by an NV center in a nanodiamond, both attached to a vibrating chemokine receptor in thermal motion. We find in particular that the detachment of a fluorine target from the NHC-Ru carrier molecule can be monitored with a time resolution of a few seconds.
Crooker, S. A.; Kelley, M. R.; Martinez, N. J. D.; Nie, W.; Mohite, A.; Nayyar, I. H.; Tretiak, S.; Smith, D. L.; Liu, F.; Ruden, P. P.
2014-10-13
We use spectrally resolved magneto-electroluminescence (EL) measurements to study the energy dependence of hyperfine interactions between polaron and nuclear spins in organic light-emitting diodes. Using layered devices that generate bright exciplex emission, we show that the increase in EL emission intensity I due to small applied magnetic fields of order 100?mT is markedly larger at the high-energy blue end of the EL spectrum (?I/I???11%) than at the low-energy red end (?4%). Concurrently, the widths of the magneto-EL curves increase monotonically from blue to red, revealing an increasing hyperfine coupling between polarons and nuclei and directly providing insight into the energy-dependent spatial extent and localization of polarons.
Laser cooling and real-time measurement of the nuclear spin environment of a solid-state qubit.
Togan, E; Chu, Y; Imamoglu, A; Lukin, M D
2011-10-27
Control over quantum dynamics of open systems is one of the central challenges in quantum science and engineering. Coherent optical techniques, such as coherent population trapping involving dark resonances, are widely used to control quantum states of isolated atoms and ions. In conjunction with spontaneous emission, they allow for laser cooling of atomic motion, preparation and manipulation of atomic states, and rapid quantum optical measurements that are essential for applications in metrology. Here we show that these techniques can be applied to monitor and control individual atom-like impurities, and their local environment, in the solid state. Using all-optical manipulation of the electronic spin of an individual nitrogen-vacancy colour centre in diamond, we demonstrate optical cooling, real-time measurement and conditional preparation of its nuclear spin environment by post-selection. These methods offer potential applications ranging from all-optical nanomagnetometry to quantum feedback control of solid-state qubits, and may lead to new approaches for quantum information storage and processing. PMID:22031442
Mao, J-D; Schmidt-Rohr, K
2004-08-01
Selection of alkyl-carbon and suppression of aromatic-carbon 13C nuclear magnetic resonance (NMR) signals has been achieved by exploiting the symmetry-based, systematic difference in their 13C chemical-shift anisotropies (CSAs). Simple three- or five-pulse CSA-recoupling sequences with "gamma-integral" cleanly suppress the signals of all sp2- and sp-hybridized carbons. The chemical-shift-anisotropy-based dephasing is particularly useful for distinguishing the signals of di-oxygenated alkyl (O-C-O) carbons, found for instance as anomeric carbons in carbohydrates, from bands of aromatic carbons with similar 13C isotropic chemical shifts. The alkyl signals are detected with an efficiency of > 60%, with little differential dephasing. Combined with C-H dipolar dephasing, the CSA filter can identify ketal (unprotonated O-C-O) carbons unambiguously for the first time. Conversely, after short cross polarization and the CSA filter, O-CH-O (acetal) carbon signals are observed selectively. The methods are demonstrated on various model compounds and applied to a humic acid. PMID:15157537
Gaborieau, Marianne; Graf, Robert; Spiess, Hans Wolfgang
2005-09-01
Dipolar filters select 1H magnetization according to local dipolar dephasing, which corresponds to site mobility in systems with heterogeneous molecular mobility. Combined with a conventional exchange experiment, it is usually applied to polymeric samples exhibiting structures on the nanometer length scale associated with a strong dynamic contrast. There, the resulting 1H nuclear spin diffusion experiment yields the size of the structure. When the same experiment is applied to homopolymer melts exhibiting a weak dynamic contrast and dynamic heterogeneities on significant shorter length scales, the recorded magnetization decay is in agreement with decays expected from a heterogeneous nanostructure. However, dipolar filters actually can also select mobile parts of the repeat unit, e.g. the end of the alkyl side chains and the subsequent magnetization transfer then can occur via cross relaxation due to non coherent zero-quantum transitions (nuclear Overhauser effect, NOE). The difficulties of distinguishing these two cases are examined and it is demonstrated that NOE experiments exploiting magnetization selection via the dipolar filter allow quantifying the local dynamics of the side chains. This opens new possibilities for measurements of local dynamics in non isotopically labeled homopolymer melts. PMID:16102945
Nuclear magnetic resonance data of C17H16NCl3
NASA Astrophysics Data System (ADS)
Kalinowski, H.-O.; Kumar, M.; Gupta, V.; Gupta, R.
This document is part of Part 1 `Aliphatic Compounds' of Subvolume D 'Chemical Shifts and Coupling Constants for Carbon-13' of Landolt-Börnstein III/35 'Nuclear Magnetic Resonance Data', Group III 'Condensed Matter'.
Nuclear magnetic resonance data of C8H24OSSi4
NASA Astrophysics Data System (ADS)
Mikhova, B. M.
This document is part of Part 6 `Organic Metalloid Compounds' of Subvolume D 'Chemical Shifts and Coupling Constants for Carbon-13' of Landolt-Börnstein III/35 'Nuclear Magnetic Resonance Data', Group III 'Condensed Matter'.
Hu, Jian Zhi; Sears, Jr., Jesse A.; Hoyt, David W.; Mehta, Hardeep S.; Peden, Charles H. F.
2015-11-24
A continuous-flow (CF) magic angle sample spinning (CF-MAS) NMR rotor and probe are described for investigating reaction dynamics, stable intermediates/transition states, and mechanisms of catalytic reactions in situ. The rotor includes a sample chamber of a flow-through design with a large sample volume that delivers a flow of reactants through a catalyst bed contained within the sample cell allowing in-situ investigations of reactants and products. Flow through the sample chamber improves diffusion of reactants and products through the catalyst. The large volume of the sample chamber enhances sensitivity permitting in situ .sup.13C CF-MAS studies at natural abundance.
Ashbrook, Sharon E; Wimperis, Stephen
2009-11-21
Spin-locking of spin I=3/2 and I=5/2 nuclei in the presence of small resonance offset and second-order quadrupolar interactions has been investigated using both exact and approximate theoretical and experimental nuclear magnetic resonance (NMR) approaches. In the presence of second-order quadrupolar interactions, we show that the initial rapid dephasing that arises from the noncommutation of the state prepared by the first pulse and the spin-locking Hamiltonian gives rise to tensor components of the spin density matrix that are antisymmetric with respect to inversion, in addition to those symmetric with respect to inversion that are found when only a first-order quadrupolar interaction is considered. We also find that spin-locking of multiple-quantum coherence in a static solid is much more sensitive to resonance offset than that of single-quantum coherence and show that good spin-locking of multiple-quantum coherence can still be achieved if the resonance offset matches the second-order shift of the multiple-quantum coherence in the appropriate reference frame. Under magic angle spinning (MAS) conditions, and in the "adiabatic" limit, we demonstrate that rotor-driven interconversion of central-transition single- and three-quantum coherences for a spin I=3/2 nucleus can be best achieved by performing the spin-locking on resonance with the three-quantum coherence in the three-quantum frame. Finally, in the "sudden" MAS limit, we show that spin I=3/2 spin-locking behavior is generally similar to that found in static solids, except when the central-transition nutation rate matches a multiple of the MAS rate and a variety of rotary resonance phenomena are observed depending on the internal spin interactions present. This investigation should aid in the application of spin-locking techniques to multiple-quantum NMR of quadrupolar nuclei and of cross-polarization and homonuclear dipolar recoupling experiments to quadrupolar nuclei such as (7)Li, (11)B, (17)O, (23)Na, and (27)Al. PMID:19929062
Taddeucci, T.N.
1995-02-01
This report summarizes results of nuclear physics studies using intermediate energy (50-800 MeV) neutron probes carried out over the past five years using the Neutron Time-of-Flight (NTOF) Facility and Optically-Pumped Ion Source (OPPIS) at LAMPF and the `white` neutron source at the Weapons Neutron Research (WNR) facility. LAMPF did significant work in polarization transfer, while WNR took advantage of the wide neutron energy spectrum available to study energy dependent effects. The major focus of experiments with intermediate energy neutron probes for the next five years will be to explore fundamental details of the spin-isospin and energy dependence of the NN interaction and the nuclear response. To achieve this goal, the WNR white neutron source will be used for nucleon-nucleon and nucleon-nucleus interaction studies over a broad continuous range of incident neutron energy. Measurement of polarization observables using polarized targets or polarized beam should be possible, and will add an important extra dimension to these studies.
Zhe-Ying Wu; Chong Qi; Ramon Wyss; Hong-Liang Liu
2015-08-08
The microscopic energies and nuclear deformations of about 1850 even-even nuclei are calculated systematically within the macroscopic-microscopic framework using three Woods-Saxon parameterizations, with different isospin dependences, which were constructed mainly for nuclear spectroscopy calculations. Calculations are performed in the deformation space $(\\beta_2, \\gamma, \\beta_4)$. Both the monopole and doubly stretched quadrupole interactions are considered for the pairing channel. The ground state deformations obtained by the three calculations are quite similar to each other. Large differences are seen mainly in neutron-rich nuclei and in superheavy nuclei. Systematic calculations on the shape-coexisting second minima are also presented. As for the microscopic energies of the ground states, the results are also very close to each other. Only in a few cases the difference is larger than 2 MeV. The total binding energy is estimated by adding the macroscopic energy provided by the usual liquid drop model with its parameters fitted through the least square root and minimax criteria. Calculations are also compared with the results of other macroscopic-microscopic mass models. All the three calculations give similar values for the deformations, microscopic energies and binding energies of most nuclei. One may expect to have a better understanding of the isospin dependence of the spin-orbital force with more data on proton- and neutron-rich nuclei.
NASA Astrophysics Data System (ADS)
Morton, Donald C.; Schulhoff, Eva E.; Drake, G. W. F.
2015-12-01
We have calculated the electric dipole (E1) and magnetic quadrupole (M2) oscillator strengths and spontaneous decay rates for 24 spin-changing transitions of atomic helium. We included the effects of the finite nuclear mass and the anomalous magnetic moment of the electron augmented by the recently derived Pachucki term. The specific transitions for 4He are n{ }1{{{S}}}0-{n}\\prime { }3{{{P}}}{1,2} and n{ }3{{{S}}}1-{n}\\prime { }1{{{P}}}1 with n,{n}\\prime ?slant 3 and n?slant 10 for {n}\\prime =n. For the E1 calculations we used the Breit approximation and pseudostate expansions to perform the perturbation sums over intermediate states in both the length and velocity gauge as a check on both numerical accuracy and validity of the transition operators. The corrections for the nuclear mass and the electron anomaly tend to cancel, indicating that if one is included, then so should be the other. The tables give mass- and anomaly-dependent coefficients permitting the easy generation of results for the other isotopes of helium.
63,65Cu Nuclear Resonance Study of the Coupled Spin Dimers and Chains Compound Cu2Fe2Ge4O13
NASA Astrophysics Data System (ADS)
Kikuchi, Jun; Nagura, Shiro; Murakami, Kazumasa; Masuda, Takatsugu; Redhammer, Günther J.
2013-03-01
Nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) of Cu have been measured in a coupled spin dimers and chains compound Cu2Fe2Ge4O13. Cu NQR has also been measured in an isostructural material Cu2Sc2Ge4O13 including only spin dimers. Comparison of the temperature dependence of the 63Cu nuclear spin--lattice relaxation rate between the two compounds reveals that the Fe chains in Cu2Fe2Ge4O13 do not change a spin gap energy of the Cu dimers from that in Cu2Sc2Ge4O13, contributing additionally to the relaxation rate at the Cu site. A modestly large internal field of 3.39 T was observed at the Cu site in the antiferromagnetic state of Cu2Fe2 Ge4O13 at 4.2 K, which is partly because of quantum reduction of the ordered moment of a Cu atom. The internal field and the ordered moment of Cu are noncollinear due to large anisotropy of the hyperfine interaction at the Cu site. A model analysis of the internal field based on the fourfold planar coordination of Cu suggests that a 3d hole of the Cu2+ ion is mainly in the d(x2-y2) orbital state.
Romalis, Mike
and Calculations Junhui Shi, Suvi Ikalainen, Juha Vaara,¶ and Michael V. Romalis*,§ Department of Chemistry The rotation of light polarization is similar to the Faraday effect caused by a nuclear magnetic field to Faraday rotation changes by more than a factor of 2 for the simple chemicals studied. We apply the recent
NASA Astrophysics Data System (ADS)
De Paëpe, Gaël; Eléna, Bénédicte; Emsley, Lyndon
2004-08-01
The work presented here aims at understanding the performance of phase modulated heteronuclear decoupling sequences such as Cosine Modulation or Two Pulse Phase Modulation. To that end we provide an analytical description of the intrinsic behavior of Cosine Modulation decoupling with respect to radio-frequency-inhomogeneity and the proton-proton dipolar coupling network. We discover through a Modulation Frame average Hamiltonian analysis that best decoupling is obtained under conditions where the heteronuclear interactions are removed but notably where homonuclear couplings are recoupled at a homonuclear Rotary Resonance (HORROR) condition in the Modulation Frame. These conclusions are supported by extensive experimental investigations, and notably through the introduction of proton nutation experiments to characterize spin dynamics in solids under decoupling conditions. The theoretical framework presented in this paper allows the prediction of the optimum parameters for a given set of experimental conditions.
Effect of nuclear spin on chemical reactions and internal molecular rotation
Sterna, L.L.
1980-12-01
Part I of this dissertation is a study of the magnetic isotope effect, and results are presented for the separation of /sup 13/C and /sup 12/C isotopes. Two models are included in the theoretical treatment of the effect. In the first model the spin states evolve quantum mechanically, and geminate recombination is calculated by numerically integrating the collision probability times the probability the radical pair is in a singlet state. In the second model the intersystem crossing is treated via first-order rate constants which are average values of the hyperfine couplings. Using these rate constants and hydrodynamic diffusion equations, an analytical solution, which accounts for all collisions, is obtained for the geminate recombination. The two reactions studied are photolysis of benzophenone and toluene and the photolytic decomposition of dibenzylketone (1,3-diphenyl-2-propanone). No magnetic isotope effect was observed in the benzophenone reaction. /sup 13/C enrichment was observed for the dibenzylketone reaction, and this enrichment was substantially enhanced at intermediate viscosities and low temperatures. Part II of this dissertation is a presentation of theory and results for the use of Zeeman spin-lattice relaxation as a probe of methyl group rotation in the solid state. Experimental results are presented for the time and angular dependences of rotational polarization, the methyl group magnetic moment, and methyl-methyl steric interactions. The compounds studied are 2,6-dimethylphenol, methyl iodide, 1,4,5,8-tetramethylanthracene, 1,4,5,8-tetramethylnaphthalene, 1,2,4,5-tetramethylbenzene, and 2,3-dimethylmaleicanhydride.
Wood, R. M.; Saha, D.; McCarthy, L. A.; Tokarski, III, J. T.; Sanders, G. D.; Kuhns, P. L.; McGill, S. A.; Reyes, A. P.; Reno, J. L.; Stanton, C. J.; et al
2014-10-29
A combined experimental-theoretical study of optically pumped NMR (OPNMR) has been performed in a GaAs/Al0.1Ga0.9As quantum well film with thermally induced biaxial strain. The photon energy dependence of the Ga-71 OPNMR signal was recorded at magnetic fields of 4.9 and 9.4 T at a temperature of 4.8-5.4 K. The data were compared to the nuclear spin polarization calculated from differential absorption to spin-up and spin-down states of the conduction band using a modified Pidgeon Brown model. Reasonable agreement between theory and experiment is obtained, facilitating assignment of features in the OPNMR energy dependence to specific interband transitions. Despite the approximationsmore »made in the quantum-mechanical model and the inexact correspondence between the experimental and calculated observables, the results provide insight into how effects of strain and quantum confinement are manifested in OPNMR signals« less
Lafon, Olivier; Thankamony, Aany S. Lilly; Kokayashi, Takeshi; Carnevale, Diego; Vitzthum, Veronika; Slowing, Igor I.; Kandel, Kapil; Vezin, Herve; Amoureux, Jean-Paul; Bodenhausen, Geoffrey; Pruski, Marek
2012-12-21
We show that dynamic nuclear polarization (DNP) can be used to enhance NMR signals of 13C and 29Si nuclei located in mesoporous organic/inorganic hybrid materials, at several hundreds of nanometers from stable radicals (TOTAPOL) trapped in the surrounding frozen disordered water. The approach is demonstrated using mesoporous silica nanoparticles (MSN), functionalized with 3-(N-phenylureido)propyl (PUP) groups, filled with the surfactant cetyltrimethylammonium bromide (CTAB). The DNP-enhanced proton magnetization is transported into the mesopores via 1H–1H spin diffusion and transferred to rare spins by cross-polarization, yielding signal enhancements ?on/off of around 8. When the CTAB molecules are extracted, so that the radicals can enter the mesopores, the enhancements increase to ?on/off ? 30 for both nuclei. A quantitative analysis of the signal enhancements in MSN with and without surfactant is based on a one-dimensional proton spin diffusion model. The effect of solvent deuteration is also investigated.
NASA Astrophysics Data System (ADS)
Larsen, Russell G.; Halkides, Christopher J.; Singel, David J.
1993-05-01
A theoretical treatment is presented for the analysis of ESEEM spectra of I=1/2 nuclei coupled to an electron spin of high multiplicity, with specific attention to the case of S=5/2. This treatment is shown to account for the observed spectral behavior of 15N and 31P nuclei coupled to Mn2+ in a GDP complex with the protein N-ras p21. The treatment involves the decomposition of the multilevel electron spin system into a set of noninteracting two level systems, an approximation that is valid when the dispersed EPR spectral width is large compared to the microwave excitation bandwidth. The consequent spectral selectivity of the microwave excitation is accounted for, in ESEEM simulations, by attaching a weight to the ESEEM subspectra associated with each EPR transition, and calculating the total ESEEM spectrum as a weighted superposition of the subspectra. The simplest means of estimating the appropriate weight factors—identifying them with the cw EPR intensity of each transition, as deduced by simulation of the EPR spectra—leads to ESEEM simulations that account for the key features of the observed spectra, in particular, features that are peculiar to high multiplicity spin systems. In the studied Mn2+ system, no clear indication of orientation selective effects were found. A simple geometric representation is presented which enables the facile understanding of ESEEM spectra of nuclear spin I=1/2 coupled to an electron spin of high spin multiplicity in orientationally disordered solids. Analytical expressions are derived for the ESEEM frequencies, frequency dispersions and amplitudes. It is shown that in these systems external field variation can lead to an array of spectral line-narrowing and amplitude resonance phenomena analogous to those observed in S=1/2 systems.
NASA Astrophysics Data System (ADS)
Villanueva, G.; Mumma, M.; Bonev, B.; DiSanti, M.; Paganini, L.; Magee-Sauer, K.; Gibb, E.
2014-07-01
Comets are true remnants of our primordial Solar System, and provide unique clues to its formation and evolution, including the delivery of organics and water to our planet. A key indicator stored in the molecular structure of the nuclear ices is the spin temperature (T_{spin}), derived from spin-isomeric ratios (R_{spin}, e.g., ortho/para). At the time when cometary ices formed, the prevailing temperature defined the relative abundance of the different spin-isomeric species, and herewith R_{spin} and T_{spin} are normally treated as ''remnant thermometers'' probing the formation environments of cometary molecules. Radiative and collisional transitions between the ortho and para states are strongly forbidden and herewith this indicator is preserved over time. Most of our knowledge of this indicator comes from the measurements of the ortho-para ratios in water and NH_2 (a proxy for ammonia), suggesting a common T_{spin} near 30 K. This information is based on a restricted sample of comets, and the measurements are particularly sensitive to the molecular modeling technique and adopted spectral database. Here, we present new methodologies for extracting spin temperatures from ethane (C_2H_6), methane (CH_4), and methanol (CH_3OH), and advanced new models for ortho/para water (H_2O) and ammonia (NH_3). Our H_2O analysis is based on the most complete fluorescence radiative-transfer model to date, which incorporates 1,200 million transitions including those originating from high-energy levels that are activated in comets via a non-resonant cascade. In a similar fashion, we developed non-resonant fluorescence models for NH_3 and HCN, and quantum-band models for the ?_7 band of C_2H_6 and ?_3 band of CH_3OH. All models respect spin-symmetry non-conversion radiative rules, and make use of a realistic solar spectrum for the computation of fluorescence pumps. We applied these new methods to derive spin-isomeric ratios for H_2O, CH_4, C_2H_6, CH_3OH, and NH_3 from three high- quality cometary datasets: 1) C/2007 W1 (Boattini), 2) C/2001 A2 (LINEAR), and 3) 8P/Tuttle. We compare our results to the measured organic compositions for these comets, and present possible formation and evolution scenarios.
Komorovsky, Stanislav; Repisky, Michal; Malkin, Elena; Demissie, Taye B; Ruud, Kenneth
2015-08-11
We present an implementation of the nuclear spin-rotation (SR) constants based on the relativistic four-component Dirac-Coulomb Hamiltonian. This formalism has been implemented in the framework of the Hartree-Fock and Kohn-Sham theory, allowing assessment of both pure and hybrid exchange-correlation functionals. In the density-functional theory (DFT) implementation of the response equations, a noncollinear generalized gradient approximation (GGA) has been used. The present approach enforces a restricted kinetic balance condition for the small-component basis at the integral level, leading to very efficient calculations of the property. We apply the methodology to study relativistic effects on the spin-rotation constants by performing calculations on XHn (n = 1-4) for all elements X in the p-block of the periodic table and comparing the effects of relativity on the nuclear SR tensors to that observed for the nuclear magnetic shielding tensors. Correlation effects as described by the density-functional theory are shown to be significant for the spin-rotation constants, whereas the differences between the use of GGA and hybrid density functionals are much smaller. Our calculated relativistic spin-rotation constants at the DFT level of theory are only in fair agreement with available experimental data. It is shown that the scaling of the relativistic effects for the spin-rotation constants (varying between Z(3.8) and Z(4.5)) is as strong as for the chemical shieldings but with a much smaller prefactor. PMID:26574455
Magliozzo, R S; Peisach, J
1993-08-24
Electron spin echo envelope modulation (ESEEM) spectroscopy and computer simulation of spectra has been used to evaluate the nitrogen nuclear hyperfine and quadrupole coupling parameters for the proximal imidazole nitrogen directly coordinated to iron in three low-spin heme complexes, myoglobin-azide, -cyanide, and -mercaptoethanol (MbN3, MbCN, and MbRS). The variability in the weak electron-nuclear coupling parameters reveals the electronic flexibility within the heme group that depends on properties of the exogenous ligands. For example, the isotropic component of the nitrogen nuclear hyperfine coupling ranges from 4.4 MHz for MbN3 to 2.2 MHz for both MbCN and MbRS. The weaker coupling in MbCN and MbRS is taken as evidence for delocalization of unpaired electron spin from iron into the exogenous anionic ligands. The value of e2Qq, the nuclear quadrupole coupling constant for the axial imidazole nitrogen in MbCN and MbRS, was 2.5 MHz but was significantly larger, 3.2 MHz, in MbN3. This large value is considered evidence for a weakened sigma bond between the proximal imidazole and ferric iron in this form, and for a feature contributing to the origin of the high spin-low spin equilibrium exhibited by MbN3 [Beetlestone, J., & George, P. (1964) Biochemistry 5, 707-714]. The ESEEM results have allowed a correlation to be made between the orientation of the g tensor axes, the orientation of the p-pi orbital of the proximal imidazole nitrogen, and sigma- and pi-bonding features of the axial ligands. Furthermore, the proximal imidazole is suggested to act as a pi-acceptor in low-spin heme complexes in order to support strong sigma electron donation from the lone pair orbital to iron. An evaluation of the nitrogen nuclear hyperfine coupling parameters for the porphyrin pyrrole sites in MbRS reveals a large inequivalence in isotropic components consistent with an orientation of rhombic axes (and g tensor axes) that eclipses the Fe-Npyrrole vector directions. PMID:8395204
Long-time behavior of nuclear spin decays in various lattices
Sorte, E. G.; Saam, B.; Fine, B. V.
2011-02-01
The transverse NMR decays of {sup 129}Xe in polycrystalline xenon were recently shown to have a universal property: in the long-time regime these decays all converge to the same sinusoidally modulated exponential function irrespective of the initial transverse spin configuration prepared by a sequence of one or more radio frequency pulses. The present work constitutes a more comprehensive survey of this phenomenon. It examines transverse decays for several different isotopic concentrations of {sup 129}Xe, employs additional pulse sequences, and performs similar measurements in a different material: {sup 19}F in single-crystal and polycrystalline CaF{sub 2}. With the possible exception of polycrystalline CaF{sub 2} where the observation of the long-time behavior is limited by the experimental resolution, all these systems display the long-time universal behavior characterized by particular values of the exponential decay coefficient and beat frequency that were unique for each lattice. This behavior has been theoretically predicted based on the notion of microscopic chaos.
NASA Astrophysics Data System (ADS)
Moreno, Karlos X.; Nasr, Khaled; Milne, Mark; Sherry, A. Dean; Goux, Warren J.
2015-08-01
Here we report the polarization of the solvent OH protons by SABRE using standard iridium-based catalysts under slightly acidic conditions. Solvent polarization was observed in the presence of a variety of structurally similar N-donor substrates while no solvent enhancement was observed in the absence of substrate or para-hydrogen (p-H2). Solvent polarization was sensitive to the polarizing field and catalyst:substrate ratio in a manner similar to that of substrate protons. SABRE experiments with pyridine-d5 suggest a mechanism where hyperpolarization is transferred from the free substrate to the solvent by chemical exchange while measured hyperpolarization decay times suggest a complimentary mechanism which occurs by direct coordination of the solvent to the catalytic complex. We found the solvent hyperpolarization to decay nearly 3 times more slowly than its characteristic spin-lattice relaxation time suggesting that the hyperpolarized state of the solvent may be sufficiently long lived (?20 s) to hyperpolarize biomolecules having exchangeable protons. This route may offer future opportunities for SABRE to impact metabolic imaging.
Bohler, C.L.; Schearer, L.D.; Leduc, M.; Nacher, P.J.; Zachorowski, L.; Milner, R.G.; McKeown, R.D.; Woodward, C.E.
1988-04-15
Several Nd:YAP lasers were constructed which could be broadly tuned in the 1083-nm region which includes the helium 2/sup 3/S-2/sup 3/P transition, using a Lyot filter and thin, uncoated etalons within the laser cavity. 1 W of power could be extracted at 1083 nm through a 1% transmitting output coupler. This laser beam was used to optically pump metastable /sup 4/He and /sup 3/He 2/sup 3/S helium atoms in a weak discharge cell, spin polarizing the metastable ensemble. In a /sup 3/He cell the polarization is transferred to the nuclear spin system. A /sup 3/He target cell at 0.3 Torr was polarized to 52% in a few minutes. We describe the application of this system to the design of polarized targets for experiments in nuclear physics.
Morgan, C.F.; Schleich, T.; Caines, G.H.; Farnsworth, P.N. )
1989-06-13
The motional dynamics of lens cytoplasmic proteins present in calf lens homogenates were investigated by two {sup 13}C nuclear magnetic resonance (NMR) techniques sensitive to molecular motion to further define the organizational differences between the cortex and nucleus. For the study of intermediate (mobile) protein rotational reorientation motion time scales (rotational correlation time ({tau}{sub 0}) range of 1-500 ns), the authors employed {sup 13}C off-resonance rotating frame spin-lattice relaxation, whereas for the study of slow (solidlike) motions ({tau}{sub 0} {ge} 10 {mu}s) they used the solid-state NMR techniques of dipolar decoupling and cross-polarization. The frequency dependence of the peptide bond carbonyl off-resonance rotating frame spectral intensity ratio of the lens proteins present in native calf nuclear homogenate at 35{degree}C indicates the presence of a polydisperse mobile protein fraction with a {tau}{sub 0,eff} (mean) value of 57 ns. Lowering the temperature to 1{degree}C, a temperature which produces the cold cataract, results in an overall decrease in {tau}{sub 0,eff} to 43 ns, suggesting a selective removal of {beta}{sub H}-, LM-, and possibly {gamma}{sub s}-crystallins from the mobile lens protein population. The presence of solidlike or motionally restricted protein species was established by dipolar decoupling and cross-polarization. Comparison of proton dipolar-decoupled and nondecoupled {sup 13}C NMR spectra of native cortical homogenate at 20{degree}C indicates the absence of significant contributions from slowly tumbling, motionally restricted species. These studies establish the presence of both mobile and solidlike protein phases in calf lens nuclear homogenate, whereas for the native cortical homogenate, within the detection limits of NMR, the protein phase is mobile, except at low temperature where a small fraction of solidlike protein phase is present.
Nuclear spin dependence of the reaction of H{sub 3}{sup +} with H{sub 2}. I. Kinetics and modeling
Crabtree, Kyle N.; Tom, Brian A.; McCall, Benjamin J.
2011-05-21
The chemical reaction H{sub 3}{sup +}+ H{sub 2}{yields} H{sub 2}+H{sub 3}{sup +} is the simplest bimolecular reaction involving a polyatomic, yet is complex enough that exact quantum mechanical calculations to adequately model its dynamics are still unfeasible. In particular, the branching fractions for the ''identity,''''proton hop,'' and ''hydrogen exchange'' reaction pathways are unknown, and to date, experimental measurements of this process have been limited. In this work, the nuclear-spin-dependent steady-state kinetics of the H{sub 3}{sup +}+ H{sub 2} reaction is examined in detail, and employed to generate models of the ortho:para ratio of H{sub 3}{sup +} formed in plasmas of varying ortho:para H{sub 2} ratios. One model is based entirely on nuclear spin statistics, and is appropriate for temperatures high enough to populate a large number of H{sub 3}{sup +} rotational states. Efforts are made to include the influence of three-body collisions in this model by deriving nuclear spin product branching fractions for the H{sub 5}{sup +}+ H{sub 2} reaction. Another model, based on rate coefficients calculated using a microcanonical statistical approach, is appropriate for lower-temperature plasmas in which energetic considerations begin to compete with the nuclear spin branching fractions. These models serve as a theoretical framework for interpreting the results of laboratory studies on the reaction of H{sub 3}{sup +} with H{sub 2}.
Savukov, I M; Chen, H-Y; Karaulanov, T; Hilty, C
2013-07-01
The nuclear-spin optical rotation (NSOR) effect recently attracted much attention due to potential applications in combined optical-NMR spectroscopy and imaging. Currently, the main problem with applications of NSOR is low SNR and accuracy of measurements. In this work we demonstrate a new method for data acquisition and analysis based on a low-power laser and an emphasis on software based processing. This method significantly reduces cost and is suitable for application in most NMR spectroscopy laboratories for exploration of the NSOR effect. Despite the use of low laser power, SNR can be substantially improved with fairly simple strategies including the use of short wavelength and a multi-pass optical cell with in-flow pre-polarization in a 7 T magnet. Under these conditions, we observed that NSOR signal can be detected in less than 1 min and discuss strategies for further improvement of signal. With higher SNR than previously reported, NSOR constants can be extracted with improved accuracy. On the example of water, we obtained measurements at a level of accuracy of 5%. We include a detailed theoretical analysis of the geometrical factors of the experiment, which is required for accurate quantification of NSOR. This discussion is particularly important for relatively short detection cells, which will be necessary to use in spectroscopy or imaging applications that impose geometrical constraints. PMID:23685716
Crabtree, Kyle N.; Kauffman, Carrie A.; Tom, Brian A.; Becka, Eftalda; McGuire, Brett A.; McCall, Benjamin J.
2011-05-21
The nuclear spin dependence of the chemical reaction H{sub 3}{sup +}+ H{sub 2}{yields} H{sub 2} +H{sub 3}{sup +} has been studied in a hollow cathode plasma cell. Multipass infrared direct absorption spectroscopy has been employed to monitor the populations of several low-energy rotational levels of ortho- and para-H{sub 3}{sup +} (o-H{sub 3}{sup +} and p-H{sub 3}{sup +}) in hydrogenic plasmas of varying para-H{sub 2} (p-H{sub 2}) enrichment. The ratio of the rates of the proton hop (k{sup H}) and hydrogen exchange (k{sup E}) reactions {alpha}{identical_to}k{sup H}/k{sup E} is inferred from the observed p-H{sub 3}{sup +} fraction as a function of p-H{sub 2} fraction using steady-state chemical models. Measurements have been performed both in uncooled (T{sub kin}{approx} 350 K) and in liquid-nitrogen-cooled (T{sub kin}{approx} 135 K) plasmas, marking the first time this reaction has been studied at low temperature. The value of {alpha} has been found to decrease from 1.6 {+-} 0.1 at 350 K to 0.5 {+-} 0.1 at 135 K.
THE LOW-TEMPERATURE NUCLEAR SPIN EQUILIBRIUM OF H{sup +} {sub 3} IN COLLISIONS WITH H{sub 2}
Grussie, F.; Berg, M. H.; Wolf, A.; Kreckel, H.; Crabtree, K. N.; McCall, B. J.; Gaertner, S.; Schlemmer, S.
2012-11-01
Recent observations of H{sub 2} and H{sup +} {sub 3} in diffuse interstellar sightlines revealed a difference in the nuclear spin excitation temperatures of the two species. This discrepancy comes as a surprise, as H{sup +} {sub 3} and H{sub 2} should undergo frequent thermalizing collisions in molecular clouds. Non-thermal behavior of the fundamental H{sup +} {sub 3}/H{sub 2} collision system at low temperatures was considered as a possible cause for the observed irregular populations. Here, we present measurements of the steady-state ortho/para ratio of H{sup +} {sub 3} in collisions with H{sub 2} molecules in a temperature-variable radiofrequency ion trap between 45 and 100 K. The experimental results are close to the expected thermal outcome and they agree very well with a previous micro-canonical model. We briefly discuss the implications of the experimental results for the chemistry of the diffuse interstellar medium.
(1)H and (13)C magic-angle spinning nuclear magnetic resonance studies of the chicken eggshell.
Pisklak, Dariusz Maciej; Szeleszczuk, Lukasz; Wawer, Iwona
2012-12-19
The chicken eggshell, a product of biomineralization, contains inorganic and organic substances whose content changes during the incubation process. Bloch-decay (BD) (1)H, (13)C, and cross-polarization (CP) (13)C nuclear magnetic resonance (NMR) spectra of chicken eggshells were acquired under magic-angle spinning (MAS). Variable contact time (13)C CP MAS NMR experiments revealed the signals of carbonyl groups from organic and inorganic compounds. In the (13)C BD NMR spectra, a single peak at 168.1 ppm was detected, whereas in the (1)H BD spectra, the signals from water and the bicarbonate ion were assigned. A simultaneous decrease of the water signal in the (1)H MAS NMR spectra and an increase of the carbonate ion signal in the (13)C CP MAS NMR spectra of eggshells collected during the incubation period indicate the substitution of calcium ions by hydrogen ions in the calcium carbonate crystalline phase during the incubation of an egg. PMID:23157303
Chatterjee, A.; Ghosh, A.K.; Hagaman, E.W.
1982-01-01
The /sup 13/C NMR spectra analysis of the new bis(indole) alkaloid flexicorine and of its chemically modified derivatives were used to determine the structure of the natural base. Flexicorine is, apparently, the first 10'-hydroxy N'-unsubstituted indoline which preferentially exists in the original iminoquinone form. 2 tables.
The (13)C shieldings and (13)C-(199)Hg coupling constants of fourteen phenyl- and seven alkyl- and alkenyl-mercury compounds have been obtained. Substituent effects on the (13)C shieldings are similar to those in nonmercurated phenyl compounds, with a similar relationship between...
The pesticide Kepone, 1,1a,3,3a,4,5,5a,5b,6-decachlorooctahydro-1,3,4-metheno-2H-cyclobuta(cd)pentalen-2-one, the related compounds mirex, kelevan, a monohydro photoproduct of kelevan, kepone alcohol, kepone hydrate, and the mono- and dihydro photoproducts of Kepone hydrate and t...
NASA Astrophysics Data System (ADS)
Cui, J.; Roy, B.; Tanatar, M. A.; Ran, S.; Bud'ko, S. L.; Prozorov, R.; Canfield, P. C.; Furukawa, Y.
2015-11-01
We report 75As nuclear magnetic resonance (NMR) measurements of single-crystalline Ca (Fe1-xCox) 2As2 (x =0.023 , 0.028, 0.033, and 0.059) annealed at 350 °C for 7 days. From the observation of a characteristic shape of 75As NMR spectra in the stripe-type antiferromagnetic (AFM) state, as in the case of x =0 (TN=170 K), clear evidence for the commensurate AFM phase transition with the concomitant structural phase transition is observed in x =0.023 (TN=106 K) and x =0.028 (TN=53 K). Through the temperature dependence of the Knight shifts and the nuclear spin lattice relaxation rates (1 /T1 ), although stripe-type AFM spin fluctuations are realized in the paramagnetic state as in the case of other iron pnictide superconductors, we found a gradual decrease of the AFM spin fluctuations below a crossover temperature T* that was nearly independent of Co-substitution concentration, and it is attributed to a pseudogaplike behavior in the spin excitation spectra of these systems. The T* feature finds correlation with features in the temperature-dependent interplane resistivity, ?c(T ) , but not with the in-plane resistivity ?a(T ) . The temperature evolution of anisotropic stripe-type AFM spin fluctuations is tracked in the paramagnetic and pseudogap phases by the 1 /T1 data measured under magnetic fields parallel and perpendicular to the c axis. Based on our NMR data, we have added a pseudogaplike phase to the magnetic and electronic phase diagram of Ca (Fe1-xCox) 2As2 .
Liao, Shu-Hsien; Chen, Kuen-Lin; Wang, Chun-Min; Chieh, Jen-Jie; Horng, Herng-Er; Wang, Li-Min; Wu, C H; Yang, Hong-Chang
2014-01-01
In this work, we report the use of bio-functionalized magnetic nanoparticles (BMNs) and dynamic magnetic resonance (DMR) to characterize the time-dependent spin-spin relaxation time for sensitive bio-detection. The biomarkers are the human C-reactive protein (CRP) while the BMNs are the anti-CRP bound onto dextran-coated Fe3O4 particles labeled as Fe3O4-antiCRP. It was found the time-dependent spin-spin relaxation time, T2, of protons decreases as time evolves. Additionally, the ?T2 of of protons in BMNs increases as the concentration of CRP increases. We attribute these to the formation of the magnetic clusters that deteriorate the field homogeneity of nearby protons. A sensitivity better than 0.1 ?g/mL for assaying CRP is achieved, which is much higher than that required by the clinical criteria (0.5 mg/dL). The present MR-detection platform shows promise for further use in detecting tumors, viruses, and proteins. PMID:25397920
Liao, Shu-Hsien; Chen, Kuen-Lin; Wang, Chun-Min; Chieh, Jen-Jie; Horng, Herng-Er; Wang, Li-Min; Wu, C. H.; Yang, Hong-Chang
2014-01-01
In this work, we report the use of bio-functionalized magnetic nanoparticles (BMNs) and dynamic magnetic resonance (DMR) to characterize the time-dependent spin-spin relaxation time for sensitive bio-detection. The biomarkers are the human C-reactive protein (CRP) while the BMNs are the anti-CRP bound onto dextran-coated Fe3O4 particles labeled as Fe3O4-antiCRP. It was found the time-dependent spin-spin relaxation time, T2, of protons decreases as time evolves. Additionally, the ?T2 of of protons in BMNs increases as the concentration of CRP increases. We attribute these to the formation of the magnetic clusters that deteriorate the field homogeneity of nearby protons. A sensitivity better than 0.1 ?g/mL for assaying CRP is achieved, which is much higher than that required by the clinical criteria (0.5 mg/dL). The present MR-detection platform shows promise for further use in detecting tumors, viruses, and proteins. PMID:25397920
Effect of magic angle spinning on 13C spin-lattice and spin-spin relaxation in nanodiamonds
NASA Astrophysics Data System (ADS)
Panich, A. M.; Sergeev, N. A.; Olszewski, M.
2015-09-01
We report on 13C spin-lattice (R 1) and spin-spin (R 2) relaxation rate dependence on magic-angle-spinning (MAS) rate in highly purified synthetic nanodiamonds. Noticeable slowdown of both relaxation processes and reduction of nuclear spin diffusion coefficient D with increasing MAS rate was obtained. This effect is attributed to suppression of nuclear spin diffusion by MAS. We developed a theoretical approach that describes the MAS rate dependence of R 1, R 2 and D, allows quantitative analysis of the data and shows good compliance with the experiment.
Paramagnetic carbon-13 shifts induced by the free radical tempo. 2. Nitrogen heterocycles
Qui, Z.W.; Grant, D.M.; Pugmire, R.J.
1984-02-08
With use of the free radical Tempo as a shift and relaxation reagent, both paramagnetic shifts and spin-lattice relaxation rates of nitrogen heterocycles are reported. Paramagnetic shifts of these compounds are larger than the corresponding shifts of the aromatic hydrocarbons, indicating a stronger interaction between nitrogen heterocyclic compounds and Tempo. Paramagnetic shifts increase with the number of nitrogen atoms per molecule. For pyridine type compounds, both shift and relaxation data show that the stronger interaction is not at the adjacent positions to the nitrogen atoms. It would appear in these heterocyclic complexes with Tempo that the nitrogen atoms tend to orient away from the N-O group in Tempo. In contrast, imidazole and indole exhibit a much stronger interaction with the Tempo due to hydrogen bond formation, and the positions near the N-H group exhibit larger paramagnetic shifts and relaxation rates. An approximate static model involving an indole-Tempo, hydrogen-bond complex accounts for the relaxation data from which both an equilibrium constant of complexation and a hydrogen-bond distance in the indole-Tempo complex could be estimated.
Adam Miranowicz; Sahin K. Ozdemir; Jiri Bajer; Go Yusa; Nobuyuki Imoto; Yoshiro Hirayama; Franco Nori
2015-08-28
We discuss methods of quantum state tomography for solid-state systems with a large nuclear spin $I=3/2$ in nanometer-scale semiconductors devices based on a quantum well. Due to quadrupolar interactions, the Zeeman levels of these nuclear-spin devices become nonequidistant, forming a controllable four-level quantum system (known as quartit or ququart). The occupation of these levels can be selectively and coherently manipulated by multiphoton transitions using the techniques of nuclear magnetic resonance (NMR) [Yusa et al., Nature (London) 434, 101 (2005)]. These methods are based on an unconventional approach to NMR, where the longitudinal magnetization $M_z$ is directly measured. This is in contrast to the standard NMR experiments and tomographic methods, where the transverse magnetization $M_{xy}$ is detected. The robustness against errors in the measured data is analyzed by using the condition number based on the spectral norm. We propose several methods with optimized sets of rotations yielding the highest robustness against errors, as described by the condition number equal to 1, assuming an ideal experimental detection. This robustness is only slightly deteriorated, as given by the condition number equal to 1.05, for a more realistic "noisy" $M_z$ detection based on the standard cyclically-ordered phase sequence (CYCLOPS) method.
NASA Astrophysics Data System (ADS)
Miranowicz, Adam; Ã-zdemir, ?ahin K.; Bajer, Ji?í; Yusa, Go; Imoto, Nobuyuki; Hirayama, Yoshiro; Nori, Franco
2015-08-01
We discuss methods of quantum state tomography for solid-state systems with a large nuclear spin I =3 /2 in nanometer-scale semiconductors devices based on a quantum well. Due to quadrupolar interactions, the Zeeman levels of these nuclear-spin devices become nonequidistant, forming a controllable four-level quantum system (known as quartit or ququart). The occupation of these levels can be selectively and coherently manipulated by multiphoton transitions using the techniques of nuclear magnetic resonance (NMR) [Yusa et al., Nature (London) 434, 1001 (2005), 10.1038/nature03456]. These methods are based on an unconventional approach to NMR, where the longitudinal magnetization Mz is directly measured. This is in contrast to the standard NMR experiments and tomographic methods, where the transverse magnetization Mx y is detected. The robustness against errors in the measured data is analyzed by using the condition number based on the spectral norm. We propose several methods with optimized sets of rotations yielding the highest robustness against errors, as described by the condition number equal to 1, assuming an ideal experimental detection. This robustness is only slightly deteriorated, as given by the condition number equal to 1.05, for a more realistic "noisy" Mz detection based on the standard cyclically ordered phase sequence (CYCLOPS) method.
NASA Astrophysics Data System (ADS)
Park, Kyungdeock; Darabad, Robabeh; Feng, Guanru; Labruyere, Stephane; Baugh, Jonathan; Laflamme, Raymond
2015-03-01
The ability to perform multiple rounds of Quantum Error Correction (QEC) is an essential task for scalable quantum information processing, but experimental realizations of it are still in their infancy. Key requirements for QEC are high control fidelity and the ability to extract entropy from ancilla qubits. Nuclear Magnetic Resonance (NMR) quantum processors have demonstrated high control fidelity with up to 12 qubits. A remaining challenge is to prepare nearly pure ancilla qubits to enable QEC. Heat Bath Algorithmic Cooling (HBAC) is an efficient tool for extracting entropy from qubits that interact with a heat bath, allowing cooling below the bath temperature. For implementing HBAC with spins, a hyperfine coupled electron-nuclear system in a single crystal is more advantageous than conventional NMR systems since the electron, with higher polarization and faster relaxation, can act as a heat bath. We characterize 3 and 5 qubit spin systems in gamma-irradiated malonic acid and present simulation and experimental results of HBAC to benchmark our quantum control. Two control schemes are compared: electron nuclear double resonance and indirect control of nuclei via the anisotropic hyperfine interaction.
NASA Astrophysics Data System (ADS)
Nath, Nilamoni; Suryaprakash, N.
2010-08-01
A two dimensional correlation experiment for the measurement of short and long range homo- and hetero- nuclear residual dipolar couplings (RDCs) from the broad and featureless proton NMR spectra including 13C satellites is proposed. The method employs a single natural abundant 13C spin as a spy nucleus to probe all the coupled protons and permits the determination of RDCs of negligible strengths. The technique has been demonstrated for the study of organic chiral molecules aligned in chiral liquid crystal, where additional challenge is to unravel the overlapped spectrum of enantiomers. The significant advantage of the method is demonstrated in better chiral discrimination using homonuclear RDCs as additional parameters.
NASA Astrophysics Data System (ADS)
Demissie, Taye B.; Jaszu?ski, Micha?; Komorovsky, Stanislav; Repisky, Michal; Ruud, Kenneth
2015-10-01
We present nuclear spin-rotation constants, absolute nuclear magnetic resonance (NMR) shielding constants, and shielding spans of all the nuclei in 175LuX and 197AuX (X = 19F, 35Cl, 79Br, 127I), calculated using coupled-cluster singles-and-doubles with a perturbative triples (CCSD(T)) correction theory, four-component relativistic density functional theory (relativistic DFT), and non-relativistic DFT. The total nuclear spin-rotation constants determined by adding the relativistic corrections obtained from DFT calculations to the CCSD(T) values are in general in agreement with available experimental data, indicating that the computational approach followed in this study allows us to predict reliable results for the unknown spin-rotation constants in these molecules. The total NMR absolute shielding constants are determined for all the nuclei following the same approach as that applied for the nuclear spin-rotation constants. In most of the molecules, relativistic effects significantly change the computed shielding constants, demonstrating that straightforward application of the non-relativistic formula relating the electronic contribution to the nuclear spin-rotation constants and the paramagnetic contribution to the shielding constants does not yield correct results. We also analyze the origin of the unusually large absolute shielding constant and its relativistic correction of gold in AuF compared to the other gold monohalides.
Demissie, Taye B; Jaszu?ski, Micha?; Komorovsky, Stanislav; Repisky, Michal; Ruud, Kenneth
2015-10-28
We present nuclear spin-rotation constants, absolute nuclear magnetic resonance (NMR) shielding constants, and shielding spans of all the nuclei in (175)LuX and (197)AuX (X = (19)F, (35)Cl, (79)Br, (127)I), calculated using coupled-cluster singles-and-doubles with a perturbative triples (CCSD(T)) correction theory, four-component relativistic density functional theory (relativistic DFT), and non-relativistic DFT. The total nuclear spin-rotation constants determined by adding the relativistic corrections obtained from DFT calculations to the CCSD(T) values are in general in agreement with available experimental data, indicating that the computational approach followed in this study allows us to predict reliable results for the unknown spin-rotation constants in these molecules. The total NMR absolute shielding constants are determined for all the nuclei following the same approach as that applied for the nuclear spin-rotation constants. In most of the molecules, relativistic effects significantly change the computed shielding constants, demonstrating that straightforward application of the non-relativistic formula relating the electronic contribution to the nuclear spin-rotation constants and the paramagnetic contribution to the shielding constants does not yield correct results. We also analyze the origin of the unusually large absolute shielding constant and its relativistic correction of gold in AuF compared to the other gold monohalides. PMID:26520517
Bayro, Marvin J.
We describe magic-angle spinning NMR experiments designed to elucidate the interstrand architecture of amyloid fibrils. Three methods are introduced for this purpose, two being based on the analysis of long-range [superscript ...
Electron-nuclear relaxation times (T(1) sup e's) for (15)N and (13)C in natural abundance are measured for a series of amines of a wide range of pK(a)s using four paramagnetic relaxation reagents that are soluable in organic solutions. Cr(acac)3 and Cr(dpm)3 are seen to affect th...
Arora, K K; Collins, J G; MacLeod, J K; Williams, J F
1988-07-01
Methods for the synthesis of carbon-13 enriched substrates, intermediates and products of the pentose-phosphate pathway, viz. ribose, arabinose, xylulose and ribulose 5-phosphates, sedoheptulose mono- and bisphosphates, octulose (both the ido- and altro-epimers) mono- and bisphosphates, are described. The procedure of the classical Kiliani synthesis was adopted for the preparation of the two starting compounds, [1-13C]ribose and [1-13C]arabinose 5-phosphates. Using these initial reactants and enzymic methods involving the group-transferring enzymes, transketolase, aldolase and transaldolase, a variety of specifically 13C-labelled five-, six-, seven- and eight-carbon sugar phosphates were synthesized in high yield and purity. The isolation and authenticity of each of the 13C-labelled sugars were established by column, paper and thin layer chromatographic methods and specific enzymic assays. The purity and positional isotopic analysis of these sugar-P's were confirmed by 13C-NMR spectroscopy. These specifically 13C-enriched compounds are required for enzymatic, mechanistic and quantitative investigations of pentose-pathway reactions in animal, plant and tumour tissues in vitro and in vivo. PMID:3223986
NASA Astrophysics Data System (ADS)
Levine, J. G.; Wolff, E. W.; Jones, A. E.; Sime, L. C.
2011-02-01
The ice-core record of the carbon-13 content of atmospheric methane (?13CH4) has largely been used to constrain past changes in methane sources. The aim of this paper is to explore, for the first time, the contribution that changes in the strength of a minor methane sink?oxidation by atomic chlorine in the marine boundary layer (ClMBL)?could make to changes in ?13CH4 on glacial-interglacial timescales. Combining wind and temperature data from a variety of general circulation models with a simple formulation for the concentration of ClMBL, we find that changes in the strength of this sink, driven solely by changes in the atmospheric circulation, could have been responsible for changes in ?13CH4 of the order of 10% of the glacial-interglacial difference observed. We thus highlight the need to quantify past changes in the strength of this sink, including those relating to changes in the sea-ice source of sea salt aerosol.
Wood, R. M.; Saha, D.; McCarthy, L. A.; Tokarski, III, J. T.; Sanders, G. D.; Kuhns, P. L.; McGill, S. A.; Reyes, A. P.; Reno, J. L.; Stanton, C. J.; Bowers, C. R.
2014-10-29
A combined experimental-theoretical study of optically pumped NMR (OPNMR) has been performed in a GaAs/Al_{0.1}Ga_{0.9}As quantum well film with thermally induced biaxial strain. The photon energy dependence of the Ga-71 OPNMR signal was recorded at magnetic fields of 4.9 and 9.4 T at a temperature of 4.8-5.4 K. The data were compared to the nuclear spin polarization calculated from differential absorption to spin-up and spin-down states of the conduction band using a modified Pidgeon Brown model. Reasonable agreement between theory and experiment is obtained, facilitating assignment of features in the OPNMR energy dependence to specific interband transitions. Despite the approximations made in the quantum-mechanical model and the inexact correspondence between the experimental and calculated observables, the results provide insight into how effects of strain and quantum confinement are manifested in OPNMR signals
NASA Astrophysics Data System (ADS)
Nielsen, N. C.; Bildsøe, H.; Jakobsen, H. J.; Levitt, M. H.
1994-08-01
We describe an efficient method for the recovery of homonuclear dipole-dipole interactions in magic-angle spinning NMR. Double-quantum homonuclear rotary resonance (2Q-HORROR) is established by fulfilling the condition ?r=2?1, where ?r is the sample rotation frequency and ?1 is the nutation frequency around an applied resonant radio frequency (rf) field. This resonance can be used for double-quantum filtering and measurement of homonuclear dipolar interactions in the presence of magic-angle spinning. The spin dynamics depend only weakly on crystallite orientation allowing good performance for powder samples. Chemical shift effects are suppressed to zeroth order. The method is demonstrated for singly and doubly 13C labeled L-alanine.
Little, Reginald B; McClary, Felicia; Rice, Bria; Jackman, Corine; Mitchell, James W
2012-12-14
The recent observation of the explosive oxidation of graphene with enhancement for decreasing temperature and the requirements for synchronizing oxidants for collective oxidation-reduction (redox) reactions presented a chemical scenario for the thermal harvesting by the magnetic spin Hall Effect. More experimental data are presented to demonstrate such spin Hall Effect by determining the influence of spins of so-called spectator fermionic cations. Furthermore, the so-called spectator bosonic cations are discovered to cause a Klein tunneling effect during the redox reaction of graphene. The Na(+) and K(+), fermionic cations and the Mg(2+) and Ca(2+), bosonic cations were observed and compared under a variety of experimental conditions: adiabatic reactions with initial temperatures (18-22 °C); reactions toward infinite dilution; isothermal reactions under nonadiabatic conditions at low temperature of 18 °C; reactions under paramagnetic O(2) or diamagnetic N(2) atmospheres of different permeabilities; reactions in applied and no applied external magnetic field; and reactions toward excess concentrations of common and uncommon Na(+) and Mg(2+) cations. The observed reaction kinetics and dynamics under these various, diverse conditions are consistent with the spin Hall mechanism, energy harvesting and short time violation of Second Law of Thermodynamics for redox reactions of graphene by the Na(+)K(+) mixture and are consistent with the Klein tunnel mechanism for the redox reactions of graphene by the Mg(2+)Ca(2+) mixture. Mixed spin Hall and Klein tunnel mechanisms are discovered to slow and modulate explosive redox reactions. Such spin Hall Effect also gives explanation of recent tunneling of electrons through boron nitride. PMID:23108034
NASA Astrophysics Data System (ADS)
Liu, X. H.; Luo, H.; Qu, T. L.; Yang, K. Y.; Ding, Z. C.
2015-10-01
We report a novel method of measuring the spin polarization of alkali-metal atoms by detecting the NMR frequency shifts of noble gases. We calculated the profile of 87Rb D1 line absorption cross sections. We then measured the absorption profile of the sample cell, from which we calculated the 87Rb number densities at different temperatures. Then we measured the frequency shifts resulted from the spin polarization of the 87Rb atoms and calculated its polarization degrees at different temperatures. The behavior of frequency shifts versus temperature in experiment was consistent with theoretical calculation, which may be used as compensative signal for the NMRG closed-loop control system.
NASA Astrophysics Data System (ADS)
Lingwood, Mark D.; Ivanov, Ivan A.; Cote, Alissa R.; Han, Songi
2010-05-01
Nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI) at very low magnetic fields (0.05-20 mT) have gained interest due to the simple and portable magnet design and newly emerging applications outside of the usual laboratory setting. A method to enhance the NMR signal is needed due to the low thermal polarization of nuclear spins at these fields; dynamic nuclear polarization (DNP) via the Overhauser effect from free radicals is an attractive option. In this report we describe a DNP-enhanced NMR system operating at a fixed field of 1.5 mT and measure 1H signal enhancements of up to -350 fold during the saturation of a selected electron spin resonance (ESR) transition of dissolved nitroxide radicals. This -350 fold enhanced polarization is equivalent to what would be obtained by prepolarization in a 0.53 T field. The ESR spectra at varying radical concentrations are indirectly found through DNP-enhanced NMR detection. Here, ESR line broadening at higher radical concentrations due to Heisenberg electron spin exchange is observed. Enhancements in the limit of maximum power are reported as a function of concentration for three ESR transitions, and are found to increase with concentration. The >300 fold 1H NMR signal amplifications achievable at 1.5 mT will reduce experimental time by several orders of magnitude, permitting NMR relaxation, imaging or pulsed-field gradient diffusion experiments that are inaccessible without using the DNP effect at 1.5 mT. We demonstrate the potential benefit of such large signal amplification schemes through T1 and T2 relaxation measurements carried out in a much shorter time when employing DNP. Finally, we compare our results to those obtained in the earth's magnetic field and find that the signal to noise ratio (SNR) of DNP-enhanced signal at 1.5 mT is much greater than that obtained by previous studies utilizing DNP enhancement in the 0.05 mT earth's magnetic field.
Leading Edge Spinning the Web of Cell Fate
Corces, Victor G.
Leading Edge Minireview Spinning the Web of Cell Fate Kevin Van Bortle1 and Victor G. Corces1,* 1 involved in spinning the web of cell fate. Chromatin at the Nuclear Lamina The nuclear lamina is a thin
Baker, F.T.
1999-11-01
The work supported by this grant has had two main thrusts. One involved study of the spin, isospin, and multipole content of the continuum of nuclei, a continuation and completion of work done at LAMPF, Saturne, and TRIUMF. Most of the work has used ({bar p}, {bar p}{prime}) or ({bar d}, {bar d}{prime}) reactions, measuring spin observable to infer properties of the target nuclei. Publications resulting from this work have included seven refereed articles and letters, five abstracts and conference talks, one of which was invited. The second thrust involved preparatory work for experiments at CEBAF. The author was involved in Hall A work and the construction, installation, and initial experiments using the proton focal plane polarimeter. Experiments began in 1997 and no referred publications have yet been completed; ten abstracts and conference talks have been published.
Righi, Valeria; Parenti, Francesca; Tugnoli, Vitaliano; Schenetti, Luisa; Mucci, Adele
2015-09-30
Intact Crocus sativus petals were studied for the first time by high-resolution magic angle spinning nuclear magnetic resonance (HR-MAS NMR) spectroscopy, revealing the presence of kinsenoside (2) and goodyeroside A (3), together with 3-hydroxy-?-butyrolactone (4). These findings were confirmed by HR-NMR analysis of the ethanol extract of fresh petals and showed that, even though carried out rapidly, partial hydrolysis of glucopyranosyloxybutanolides occurs during extraction. On the other hand, kaempferol 3-O-sophoroside (1), which is "NMR-silent" in intact petals, is present in extracts. These results suggest to evaluate the utilization of saffron petals for phytopharmaceutical and nutraceutical purposes to exploit a waste product of massive production of commercial saffron and point to the application of HR-MAS NMR for monitoring bioactive compounds directly on intact petals, avoiding the extraction procedure and the consequent hydrolysis reaction. PMID:26367873
G. V. Lopez; M. Avila
2012-03-02
We study the simulation of a single qubit rotation and Controlled-Not gate in a solid state one-dimensional chain of nuclear spins system interacting weakly through an Ising type of interaction with a modular component of the magnetic field in the z-direction, characterized by $B_z(z,t)=Bo(z)\\cos\\delta t$. These qubits are subjected to electromagnetic pulses which determine the transition in the one or two qubits system. We use the fidelity parameter to determine the performance of the Not (N) gate and Controlled-Not (CNOT) gate as a function of the frequency parameter $\\delta$. We found that for $|\\delta|\\le 10^{-3} MHz$, these gates still have good fidelity.
Furuya, K; Hincelin, U; Hassel, G E; Bergin, E A; Vasyunin, A I; Herbst, Eric
2015-01-01
We investigate the water deuteration ratio and ortho-to-para nuclear spin ratio of H2 (OPR(H2)) during the formation and early evolution of a molecular cloud, following the scenario that accretion flows sweep and accumulate HI gas to form molecular clouds. We follow the physical evolution of post-shock materials using a one-dimensional shock model, with post-processing gas-ice chemistry simulations. This approach allows us to study the evolution of the OPR(H2) and water deuteration ratio without an arbitrary assumption concerning the initial molecular abundances, including the initial OPR(H2). When the conversion of hydrogen into H2 is almost complete, the OPR(H2) is already much smaller than the statistical value of three due to the spin conversion in the gas phase. As the gas accumulates, the OPR(H2) decreases in a non-equilibrium manner. We find that water ice can be deuterium-poor at the end of its main formation stage in the cloud, compared to water vapor observed in the vicinity of low-mass protostars w...
Generalized spin precession equations
NASA Astrophysics Data System (ADS)
Stöckmann, Hans-Jürgen; Dubbers, Dirk
2014-05-01
The Bloch equations, which describe spin precession and relaxation in external magnetic fields, can be generalized to include the evolution of polarization tensors of various ranks in arbitrary multipole fields. We show applications of the generalized spin precession equations using simple examples from atomic, nuclear and condensed matter physics, and compare the various approaches found in the literature. The derivation of the generalized Bloch equations can be considerably simplified using a particular bra-ket notation for irreducible tensors.
Sahoo, B K; Das, B P; Sakemi, Y
2015-01-01
Employing the relativistic coupled-cluster method, comparative studies of the parity non-conserving electric dipole amplitudes for the $7s \\ ^2S_{1/2} \\rightarrow 6d \\ ^2D_{5/2}$ transitions in $^{210}$Fr and $^{211}$Fr isotopes have been carried out. It is found that these transition amplitudes, sensitive only to the nuclear spin dependent effects, are enhanced by more than 3 orders compared to the low-lying $S-D_{5/2}$ transitions in Ba$^+$ and Ra$^+$ owing to the very large contributions from the electron core-polarization effects in Fr. This translates to a relatively large and, in principle, measurable induced light shift, which would be a signature of nuclear spin dependent parity nonconservation that is dominated by the nuclear anapole moment in a heavy atom like Fr. A plausible scheme to measure this quantity using the Cyclotron and Radioisotope Center (CYRIC) facility at Tohoku University has been outlined.
Many-body singlets by dynamic spin polarization
Wang Yao
2011-01-20
We show that dynamic spin polarization by collective raising and lowering operators can drive a spin ensemble from arbitrary initial state to many-body singlets, the zero-collective-spin states with large scale entanglement. For an ensemble of $N$ arbitrary spins, both the variance of the collective spin and the number of unentangled spins can be reduced to O(1) (versus the typical value of O(N)), and many-body singlets can be occupied with a population of $\\sim 20 %$ independent of the ensemble size. We implement this approach in a mesoscopic ensemble of nuclear spins through dynamic nuclear spin polarization by an electron. The result is of two-fold significance for spin quantum technology: (1) a resource of entanglement for nuclear spin based quantum information processing; (2) a cleaner surrounding and less quantum noise for the electron spin as the environmental spin moments are effectively annihilated.
Hu, Jian Zhi; Hu, Mary Y.; Townsend, Mark R.; Lercher, Johannes A.; Peden, Charles H. F.
2015-10-06
Re-usable ceramic magic angle spinning (MAS) NMR rotors constructed of high-mechanic strength ceramics are detailed that include a sample compartment that maintains high pressures up to at least about 200 atmospheres (atm) and high temperatures up to about least about 300.degree. C. during operation. The rotor designs minimize pressure losses stemming from penetration over an extended period of time. The present invention makes possible a variety of in-situ high pressure, high temperature MAS NMR experiments not previously achieved in the prior art.
Origin of cluster spin glass and nuclear Schottky anomaly in Mn50Ni38.5Sn11.5 alloy
NASA Astrophysics Data System (ADS)
Ray, Mayukh K.; Bagani, K.; Mukhopadhyay, P. K.; Banerjee, S.
2015-02-01
The magnetic ground state of the Mn50Ni38.5Sn11.5 alloy is investigated through dc/ac magnetization and low-temperature (?0.15 \\text{K}) specific-heat (Cp(T)) measurements. The dc and ac magnetization measurements indicate that the system can be identified as a cluster spin glass (CSG) phase in a ferromagnetic (FM) background, and as a conjunction of these two phases an exchange bias effect (EBE) is observed in this system. The presence of coexisting phases is further supported by our Cp(T) measurement. We attribute the existence of the CSG phase to the antiferromagnetic (AFM) interaction arising from the Mn-Mn antisite disorder which further enhances through martensite transformation. The anomalous increase of C p below 0.7 K is due to the nuclear Schottky anomaly arising from the hyperfine splitting of the nuclear levels of Mn atoms. Detailed reasons for the observed behaviours are discussed in the paper.
Spin-bus concept of spin quantum computing
Mehring, Michael; Mende, Jens
2006-05-15
We present a spin-bus concept of quantum computing where an electron spin S=1/2 acts as a bus qubit connected to a finite number N of nuclear spins I=1/2 serving as client qubits. Spin-bus clusters are considered as local processing units and may be interconnected with other spin-bus clusters via electron-electron coupling in a scaled up version. Here we lay the ground for the basic functional unit with long qubit registers, provide the theory and experimental verification of correlated qubit states, and demonstrate the Deutsch algorithm. Experiments were performed on a qubyte plus one nuclear spin in a solid state system.
Sen, P.N.; Andre, A.; Axelrod, S.
1999-10-01
We study the influence of restriction on Carr{endash}Purcell{endash}Meiboom{endash}Gill spin echoes response of magnetization of spins diffusing in a bounded region in the presence of a constant magnetic field gradient. Depending on three main length scales: L{sub S} pore size, L{sub G} dephasing length and L{sub D} diffusion length during half-echo time, three main regimes of decay have been identified: free, localization and motionally averaging regime. In localization regime, the decay exponent depends on a fractional power (2/3) of the gradient, denoting a strong breakdown of the second cumulant or the Gaussian phase approximation (GPA). In the other two regimes, the exponent depends on the gradient squared, and the GPA holds. We find that the transition from the localization to the motionally averaging regime happens when the magnetic field gradients approach special values, corresponding to branch points of the eigenvalues. Transition from one regime to another as a function of echo number for a certain range of parameters is discussed. In this transition region, the signal shows large oscillations with echo number. For large n, asymptotic behavior sets in as a function of n for the decay exponent per echo. This is true for all values of the parameters L{sub S}, L{sub G}, and L{sub D}. {copyright} {ital 1999 American Institute of Physics.}
Microtesla MRI with dynamic nuclear polarization
NASA Astrophysics Data System (ADS)
Zotev, Vadim S.; Owens, Tuba; Matlashov, Andrei N.; Savukov, Igor M.; Gomez, John J.; Espy, Michelle A.
2010-11-01
Magnetic resonance imaging at microtesla fields is a promising imaging method that combines the pre-polarization technique and broadband signal reception by superconducting quantum interference device (SQUID) sensors to enable in vivo MRI at microtesla-range magnetic fields similar in strength to the Earth magnetic field. Despite significant advances in recent years, the potential of microtesla MRI for biomedical imaging is limited by its insufficient signal-to-noise ratio due to a relatively low sample polarization. Dynamic nuclear polarization (DNP) is a widely used approach that allows polarization enhancement by 2-4 orders of magnitude without an increase in the polarizing field strength. In this work, the first implementation of microtesla MRI with Overhauser DNP and SQUID signal detection is described. The first measurements of carbon-13 NMR spectra at microtesla fields are also reported. The experiments were performed at the measurement field of 96 ?T, corresponding to Larmor frequency of 4 kHz for protons and 1 kHz for carbon-13. The Overhauser DNP was carried out at 3.5-5.7 mT fields using rf irradiation at 120 MHz. Objects for imaging included water phantoms and a cactus plant. Aqueous solutions of metabolically relevant sodium bicarbonate, pyruvate, alanine, and lactate, labeled with carbon-13, were used for NMR studies. All the samples were doped with TEMPO free radicals. The Overhauser DNP enabled nuclear polarization enhancement by factor as large as -95 for protons and as large as -200 for carbon-13, corresponding to thermal polarizations at 0.33 T and 1.1 T fields, respectively. These results demonstrate that SQUID-based microtesla MRI can be naturally combined with Overhauser DNP in one system, and that its signal-to-noise performance is greatly improved in this case. They also suggest that microtesla MRI can become an efficient tool for in vivo imaging of hyperpolarized carbon-13, produced by low-temperature dissolution DNP.
Microtesla MRI with dynamic nuclear polarization
Zotev, Vadim S.; Owens, Tuba; Matlashov, Andrei N.; Savukov, Igor M.; Gomez, John J.; Espy, Michelle A.
2010-01-01
Magnetic resonance imaging at microtesla fields is a promising imaging method that combines the pre-polarization technique and broadband signal reception by superconducting quantum interference device (SQUID) sensors to enable in vivo MRI at microtesla-range magnetic fields similar in strength to the Earth magnetic field. Despite significant advances in recent years, the potential of microtesla MRI for biomedical imaging is limited by its insufficient signal-to-noise ratio due to a relatively low sample polarization. Dynamic nuclear polarization (DNP) is a widely used approach that allows polarization enhancement by two-four orders of magnitude without an increase in the polarizing field strength. In this work, the first implementation of microtesla MRI with Overhauser DNP and SQUID signal detection is described. The first measurements of carbon-13 NMR spectra at microtesla fields are also reported. The experiments were performed at the measurement field of 96 microtesla, corresponding to Larmor frequency of 4 kHz for protons and 1 kHz for carbon-13. The Overhauser DNP was carried out at 3.5 –5.7 mT field using rf irradiation at 120 MHz. Objects for imaging included water phantoms and a cactus plant. Aqueous solutions of metabolically relevant sodium bicarbonate, pyruvate, alanine, and lactate, labeled with carbon-13, were used for NMR studies. All the samples were doped with TEMPO free radicals. The Overhauser DNP enabled nuclear polarization enhancement by factor as high as ?95 for protons and as high as ?200 for carbon-13, corresponding to thermal polarizations at 0.33 T and 1.1 T fields, respectively. These results demonstrate that SQUID-based microtesla MRI can be naturally combined with Overhauser DNP in one system, and that its signal-to-noise performance is greatly improved in this case. They also suggest that microtesla MRI can become an efficient tool for in vivo imaging of hyperpolarized carbon-13, produced by the low-temperature dissolution DNP. PMID:20843715
NASA Astrophysics Data System (ADS)
Furuya, K.; Aikawa, Y.; Hincelin, U.; Hassel, G. E.; Bergin, E. A.; Vasyunin, A. I.; Herbst, E.
2015-12-01
We investigate the water deuteration ratio and ortho-to-para nuclear spin ratio of H2 (OPR(H2)) during the formation and early evolution of a molecular cloud, following the scenario that accretion flows sweep and accumulate H i gas to form molecular clouds. We follow the physical evolution of post-shock materials using a one-dimensional shock model, combined with post-processing gas-ice chemistry simulations. This approach allows us to study the evolution of the OPR(H2) and water deuteration ratio without an arbitrary assumption of the initial molecular abundances, including the initial OPR(H2). When the conversion of hydrogen into H2 is almost complete the OPR(H2) is already much smaller than the statistical value of three because of the spin conversion in the gas phase. As the gas accumulates, the OPR(H2) decreases in a non-equilibrium manner. We find that water ice can be deuterium-poor at the end of its main formation stage in the cloud, compared to water vapor observed in the vicinity of low-mass protostars where water ice is sublimated. If this is the case, the enrichment of deuterium in water should mostly occur at somewhat later evolutionary stages of star formation, i.e., cold prestellar/protostellar cores. The main mechanism to suppress water ice deuteration in the cloud is the cycle of photodissociation and reformation of water ice, which efficiently removes deuterium from water ice chemistry. The removal efficiency depends on the main formation pathway of water ice. The OPR(H2) plays a minor role in water ice deuteration at the main formation stage of water ice. Appendices are available in electronic form at http://www.aanda.org
Fung, B M; Ryan, L M; Gerstein, B C
1980-01-01
The nuclear magnetic resonance linewidth of 1H in water of frog muscle was studied as a function of magnetic field strength and angle of orientation. The results suggest that the observed spectra are dominated by demagnetization field anisotropy and dispersion, but a small static dipolar interaction of the order of a few hertz man be present. Data from line-narrowing, multiple-pulse experiments also indicate the presence of a small dipolar broadening. PMID:6266526
Geometrical spin symmetry and spin
Pestov, I. B.
2011-07-15
Unification of General Theory of Relativity and Quantum Mechanics leads to General Quantum Mechanics which includes into itself spindynamics as a theory of spin phenomena. The key concepts of spindynamics are geometrical spin symmetry and the spin field (space of defining representation of spin symmetry). The essence of spin is the bipolar structure of geometrical spin symmetry induced by the gravitational potential. The bipolar structure provides a natural derivation of the equations of spindynamics. Spindynamics involves all phenomena connected with spin and provides new understanding of the strong interaction.
Benjamin Michael Meyer
2003-05-31
As time progresses, the world is using up more of the planet's natural resources. Without technological advances, the day will eventually arrive when these natural resources will no longer be sufficient to supply all of the energy needs. As a result, society is seeing a push for the development of alternative fuel sources such as wind power, solar power, fuel cells, and etc. These pursuits are even occurring in the state of Iowa with increasing social pressure to incorporate larger percentages of ethanol in gasoline. Consumers are increasingly demanding that energy sources be more powerful, more durable, and, ultimately, more cost efficient. Fast Ionic Conducting (FIC) glasses are a material that offers great potential for the development of new batteries and/or fuel cells to help inspire the energy density of battery power supplies. This dissertation probes the mechanisms by which ions conduct in these glasses. A variety of different experimental techniques give a better understanding of the interesting materials science taking place within these systems. This dissertation discusses Nuclear Magnetic Resonance (NMR) techniques performed on FIC glasses over the past few years. These NMR results have been complimented with other measurement techniques, primarily impedance spectroscopy, to develop models that describe the mechanisms by which ionic conduction takes place and the dependence of the ion dynamics on the local structure of the glass. The aim of these measurements was to probe the cause of a non-Arrhenius behavior of the conductivity which has been seen at high temperatures in the silver thio-borosilicate glasses. One aspect that will be addressed is if this behavior is unique to silver containing fast ion conducting glasses. more specifically, this study will determine if a non-Arrhenius correlation time, {tau}, can be observed in the Nuclear Spin Lattice Relaxation (NSLR) measurements. If so, then can this behavior be modeled with a new single distribution of activation energies (DAE) to calculate the corresponding conductivity and relaxation rates as a function of temperature and frequency?
NASA Astrophysics Data System (ADS)
Yoshio, Kitaoka; Shigeki, Ohsugi; Kunisuke, Asayama; Tsukio, Ohtani
1992-03-01
The phonon suppression effect on the coherence peak just below Tc in the nuclear spin relaxation rate {1}/{T 1} has been investigated by 205Tl NMR of a Chevrel phase superconductor TlMO 6Se 7.5 with Tc = 12.2 K. The lack of a coherence peak of 205( {1}/{T 1) } is demonstrated in a strong coupling superconductor TlMo 6Se 7.5 while the exponential decrease of {1}/{T 1} is confirmed over four orders of magnitude below 0.8 Tc (10 K) with 2 ?=4.5 kBTc. As argued by Allen and Rainer, the strong electron-phonon decay channels open to excitation cause the unexpectedly strong damping of the quasi-particles in all dynamical properties, being the origin of the depression of the coherence peak. From a comparison with an s-wave model in which the quasi-particle damping is taken into account, it is reinforced that the unusual relaxation behavior observed in high- Tc cuprates, i.e. a power-lawT-dependence with no coherence peak below Tc cannot be accounted for by the conventional theory of the superconductivity and/or the model based on “s-wave” paring.
Deaton, M. Brett; Duez, Matthew D.; Foucart, Francois; O'Connor, Evan; Ott, Christian D.; Scheel, Mark A.; Szilagyi, Bela; Kidder, Lawrence E.; Muhlberger, Curran D. E-mail: m.duez@wsu.edu
2013-10-10
Neutrino emission significantly affects the evolution of the accretion tori formed in black hole-neutron star mergers. It removes energy from the disk, alters its composition, and provides a potential power source for a gamma-ray burst. To study these effects, simulations in general relativity with a hot microphysical equation of state (EOS) and neutrino feedback are needed. We present the first such simulation, using a neutrino leakage scheme for cooling to capture the most essential effects and considering a moderate mass (1.4 M{sub ?} neutron star, 5.6 M{sub ?} black hole), high-spin (black hole J/M {sup 2} = 0.9) system with the K{sub 0} = 220 MeV Lattimer-Swesty EOS. We find that about 0.08 M{sub ?} of nuclear matter is ejected from the system, while another 0.3 M{sub ?} forms a hot, compact accretion disk. The primary effects of the escaping neutrinos are (1) to make the disk much denser and more compact, (2) to cause the average electron fraction Y{sub e} of the disk to rise to about 0.2 and then gradually decrease again, and (3) to gradually cool the disk. The disk is initially hot (T ? 6 MeV) and luminous in neutrinos (L{sub ?} ? 10{sup 54} erg s{sup –1}), but the neutrino luminosity decreases by an order of magnitude over 50 ms of post-merger evolution.
Maria, Roberta M; Altei, Wanessa F; Andricopulo, Adriano D; Becceneri, Amanda B; Cominetti, Márcia R; Venâncio, Tiago; Colnago, Luiz A
2015-11-01
(1)H high-resolution magic angle spinning nuclear magnetic resonance ((1)H HR-MAS NMR) spectroscopy was used to analyze the metabolic profile of an intact non-tumor breast cell line (MCF-10A) and intact breast tumor cell lines (MCF-7 and MDA-MB-231). In the spectra of MCF-10A cells, six metabolites were assigned, with glucose and ethanol in higher concentrations. Fifteen metabolites were assigned in MCF-7 and MDA-MB-231 (1)H HR-MAS NMR spectra. They did not show glucose and ethanol, and the major component in both tumor cells was phosphocholine (higher in MDA-MB-231 than in MCF-7), which can be considered as a tumor biomarker of breast cancer malignant transformation. These tumor cells also show acetone signal that was higher in MDA-MB-231 cells than in MCF-7 cells. The high acetone level may be an indication of high demand for energy in MDA-MB-231 to maintain cell proliferation. The higher acetone and phosphocholine levels in MDA-MB-231 cells indicate the higher malignance of the cell line. Therefore, HR-MAS is a rapid reproducible method to study the metabolic profile of intact breast cells, with minimal sample preparation and contamination, which are critical in the analyses of slow-growth cells. PMID:26247715
On Spin Fluctuations in Dense Matter and Skyrme Interactions
Sagawa, H.; Margueron, J.
2009-05-07
A modification of the standard Skyrme interaction is proposed so that the spin and spin-isospin instability is removed. The new terms are density dependent and modify only the spin p-h interaction in the case of spin-saturated system. The Landau parameters are examined to improve spin and spin-isospin properties of Skyrme interactions in finite nuclei and nuclear matter.
THz Dynamic Nuclear Polarization NMR
Nanni, Emilio Alessandro
Dynamic nuclear polarization (DNP) increases the sensitivity of nuclear magnetic resonance (NMR) spectroscopy by using high frequency microwaves to transfer the polarization of the electrons to the nuclear spins. The ...
NASA Astrophysics Data System (ADS)
Hoyt, D. W.; Turcu, R. V.; Sears, J. A.; Rosso, K. M.; Burton, S. D.; Kwak, J.; Felmy, A. R.; Hu, J.
2010-12-01
GCS is one of the most promising ways of mitigating atmospheric greenhouse gases. Mineral carbonation reactions are potentially important to the long-term sealing effectiveness of caprock but remain poorly predictable, particularly reactions occurring in low-water supercritical CO2(scCO2)-dominated environments where the chemistry has not been adequately explored. In situ probes that provide molecular-level information is desirable for investigating mechanisms and rates of GCS mineral carbonation reactions. MAS-NMR is a powerful tool for obtaining detailed molecular structure and dynamics information of a system regardless whether the system is in a solid, a liquid, a gaseous, or a supercritical state, or a mixture thereof. However, MAS NMR under scCO2 conditions has never been realized due to the tremendous technical difficulties of achieving and maintaining high pressure within a fast spinning MAS rotor. In this work, we report development of a unique high pressure MAS NMR capability, and its application to mineral carbonation chemistry in scCO2 under geologically relevant temperatures and pressures. Our high pressure MAS rotor has successfully maintained scCO2 conditions with minimal leakage over a period of 72 hours. Mineral carbonation reactions of a model magnesium silicate (forsterite) reacted with 96 bars scCO2 containing varying amounts of H2O (both below and above saturation of the scCO2) were investigated at 50?C. Figure 1 shows typical in situ 13C MAS NMR spectra demonstrating that the peaks corresponding to the reactants, intermediates, and the magnesium carbonation products are all observed in a single spectrum. For example, the scCO2 peak is located at 126.1 ppm. Reaction intermediates include the aqueous species HCO3-(160 ppm), partially hydrated/hydroxylated magnesium carbonates(166-168 ppm), and can easily be distinguished from final product magnesite(170 ppm). The new capability and this model mineral carbonation process will be overviewed in light of fundamental geochemical science needs for GCS implementation. Figure 1. 13C MAS NMR spectra of forsterite exposed to scCO2 300% saturated with water at 96 bars and 50°C. MAS rate=2.1 kHz.
Spinning angle optical calibration apparatus
Beer, Stephen K. (Morgantown, WV); Pratt, II, Harold R. (Morgantown, WV)
1991-01-01
An optical calibration apparatus is provided for calibrating and reproducing spinning angles in cross-polarization, nuclear magnetic resonance spectroscopy. An illuminated magnifying apparatus enables optical setting an accurate reproducing of spinning "magic angles" in cross-polarization, nuclear magnetic resonance spectroscopy experiments. A reference mark scribed on an edge of a spinning angle test sample holder is illuminated by a light source and viewed through a magnifying scope. When the "magic angle" of a sample material used as a standard is attained by varying the angular position of the sample holder, the coordinate position of the reference mark relative to a graduation or graduations on a reticle in the magnifying scope is noted. Thereafter, the spinning "magic angle" of a test material having similar nuclear properties to the standard is attained by returning the sample holder back to the originally noted coordinate position.
Spin electronics and spin computation
NASA Astrophysics Data System (ADS)
Das Sarma, S.; Fabian, Jaroslav; Hu, Xuedong; Z?uti?, Igor
2001-07-01
We review several proposed spintronic devices that can provide new functionality or improve available functions of electronic devices. In particular, we discuss a high mobility field effect spin transistor, an all-metal spin transistor, and our recent proposal of an all-semiconductor spin transistor and a spin battery. We also address some key issues in spin-polarized transport, which are relevant to the feasibility and operation of hybrid semiconductor devices. Finally, we discuss a more radical aspect of spintronic research—the spin-based quantum computation and quantum information processing.
Eddy, Matthew T; Andreas, Loren; Teijido, Oscar; Su, Yongchao; Clark, Lindsay; Noskov, Sergei Y; Wagner, Gerhard; Rostovtseva, Tatiana K; Griffin, Robert G
2015-02-01
The N-terminus of the voltage-dependent anion channel (VDAC) has been proposed to contain the mechanistically important gating helices that modulate channel opening and closing. In this study, we utilize magic angle spinning nuclear magnetic resonance (MAS NMR) to determine the location and structure of the N-terminus for functional channels in lipid bilayers by measuring long-range (13)C-(13)C distances between residues in the N-terminus and other domains of VDAC reconstituted into DMPC lipid bilayers. Our structural studies show that the distance between A14 C? in the N-terminal helix and S193 C? is ?4-6 Å. Furthermore, VDAC phosphorylation by a mitochondrial kinase at residue S193 has been claimed to delay mitochondrial cell death by causing a conformational change that closes the channel, and a VDAC-Ser193Glu mutant has been reported to show properties very similar to those of phosphorylated VDAC in a cellular context. We expressed VDAC-S193E and reconstituted it into DMPC lipid bilayers. Two-dimensional (13)C-(13)C correlation experiments showed chemical shift perturbations for residues located in the N-terminus, indicating possible structural perturbations to that region. However, electrophysiological data recorded on VDAC-S193E showed that channel characteristics were identical to those of wild type samples, indicating that phosphorylation of S193 does not directly affect channel gating. The combination of NMR and electrophysiological results allows us to discuss the validity of proposed gating models. PMID:25545271
TIAN, BING; MA, CHAO; WANG, JIAN; PAN, CHUN-SHU; YANG, GEN-JIN; LU, JIAN-PING
2015-01-01
Pathological and metabolic alterations co-exist and co-develop in the progression of chronic pancreatitis (CP). The aim of the present study was to investigate the metabolic characteristics and disease severity of a rat model of CP in order to determine associations in the observed pathology and the metabolites of CP using high-resolution magic-angle spinning nuclear magnetic resonance spectroscopy (HR-MAS NMR). Wistar rats (n=36) were randomly assigned into 6 groups (n=6 per group). CP was established by administering dibutyltin dichloride solution into the tail vein. After 0, 7, 14, 21, 28 and 35 days, the pancreatic tissues were collected for pathological scoring or for HR-MAS NMR. Correlation analyses between the major pathological scores and the integral areas of the major metabolites were determined. The most representative metabolites, aspartate, betaine and fatty acids, were identified as possessing the greatest discriminatory significance. The Spearman’s rank correlation coefficients between the pathology and metabolites of the pancreatic tissues were as follows: Betaine and fibrosis, 0.454 (P=0.044); betaine and inflammatory cell infiltration, 0.716 (P=0.0001); aspartate and fibrosis, ?0.768 (P=0.0001); aspartate and inflammatory cell infiltration, ?0.394 (P=0.085); fatty acid and fibrosis, ?0.764 (P=0.0001); and fatty acid and inflammatory cell infiltration, ?0.619 (P=0.004). The metabolite betaine positively correlated with fibrosis and inflammatory cell infiltration in CP. In addition, aspartate negatively correlated with fibrosis, but exhibited no significant correlation with inflammatory cell infiltration. Furthermore, the presence of fatty acids negatively correlated with fibrosis and inflammatory cell infiltration in CP. HR-MAS NMR may be used to analyze metabolic characteristics in a rat model of different degrees of chronic pancreatitis. PMID:25338744
2015-01-01
The N-terminus of the voltage-dependent anion channel (VDAC) has been proposed to contain the mechanistically important gating helices that modulate channel opening and closing. In this study, we utilize magic angle spinning nuclear magnetic resonance (MAS NMR) to determine the location and structure of the N-terminus for functional channels in lipid bilayers by measuring long-range 13C–13C distances between residues in the N-terminus and other domains of VDAC reconstituted into DMPC lipid bilayers. Our structural studies show that the distance between A14 C? in the N-terminal helix and S193 C? is ?4–6 Å. Furthermore, VDAC phosphorylation by a mitochondrial kinase at residue S193 has been claimed to delay mitochondrial cell death by causing a conformational change that closes the channel, and a VDAC-Ser193Glu mutant has been reported to show properties very similar to those of phosphorylated VDAC in a cellular context. We expressed VDAC-S193E and reconstituted it into DMPC lipid bilayers. Two-dimensional 13C–13C correlation experiments showed chemical shift perturbations for residues located in the N-terminus, indicating possible structural perturbations to that region. However, electrophysiological data recorded on VDAC-S193E showed that channel characteristics were identical to those of wild type samples, indicating that phosphorylation of S193 does not directly affect channel gating. The combination of NMR and electrophysiological results allows us to discuss the validity of proposed gating models. PMID:25545271
Carbon-13 chemical-shift tensors in indigo: A two-dimensional NMR-ROCSA and DFT Study.
Holmes, Sean T; Dybowski, Cecil
2015-11-01
The principal components of the (13)C NMR chemical-shift tensors for the eight unique carbon sites of crystalline indigo have been measured using the ROCSA pulse sequence. The chemical shifts have been assigned unambiguously to their respective nuclear sites through comparison of the experimental data to the results of density-functional calculations employing a refined X-ray diffraction structure. These measurements expand the database of measured aromatic (13)C chemical-shift tensors to the indole ring. Magnetic shielding calculations for hypoxanthine and adenosine are also reported. Comparisons of calculations that include the effect of the crystalline lattice with calculations that model indigo as an isolated molecule give an estimate of the intermolecular contribution to the magnetic shielding. PMID:26344134
Zeng, Haifeng
2012-07-16
Dissolution dynamic nuclear polarization (DNP) provides several orders of magnitude of NMR signal enhancement by converting the much larger electron spin polarization to nuclear spin polarization. Polarization occurs at low temperature (1.4K...
Spin Technologies in Silicon Carbide
NASA Astrophysics Data System (ADS)
Klimov, Paul
2015-03-01
Over the past several decades SiC has evolved from being a simple abrasive to a versatile material platform for high-power electronics, optoelectronics, and nanomechanical devices. These technologies have been driven by advanced growth, doping, and processing capabilities, and the ready availability of large-area, single-crystal SiC wafers. Recent advances have also established SiC as a promising host for a novel class of technologies based on the spin of intrinsic color centers. In particular, the divacancies and related defects have ground-state electronic-spin triplets with ms-long coherence times that can be optically addressed near telecom wavelengths and manipulated with magnetic, electric, and strain fields. Recently, divacancy addressability has been extended to the single defect level, laying foundation for single spin technologies in SiC. This rapidly developing field has prompted research into the SiC material host to understand how defect-bound electron spins interact with their surrounding nuclear spin bath. Although nuclear spins are typically a major source of decoherence in color-center spin systems, they are also an important resource since they interact with magnetic fields orders of magnitude more weakly than electronic spins. This fact has motivated their use for quantum memories and ultra-sensitive sensors. In this talk I will review advances in this rapidly developing field and discuss our efforts towards this latter goal. This work was supported by the AFOSR, DARPA, and the NSF.
Exploring large coherent spin systems with solid state NMR
Cho, HyungJoon, Ph. D. Massachusetts Institute of Technology
2005-01-01
Solid state Nuclear Magnetic Resonance (NMR) allows us to explore a large coherent spin system and provides an ideal test-bed for studying strongly interacting multiple-spin system in a large Hilbert space. In this thesis, ...
Helgaker, Trygve
Proton-proton vicinal spin-spin coupling constants have for a long time been used to resolve the 3D structure of biomolecules.1-4 More recently, developments in nuclear mag- netic resonance (NMR) techniques
NASA Technical Reports Server (NTRS)
Tel-Or, E.; Spath, S.; Packer, L.; Mehlhorn, R. J.
1986-01-01
Carbon turnover in response to abrupt changes in salinity, including the mobilization of glycogen for use in osmoregulation was studied with pulse-chase strategies utilizing nuclear magnetic resonance (NMR)-silent and NMR-detectable 12C and 13C isotopes, respectively. Growth of Agmenellum quadruplicatum in 30%-enriched 13C bicarbonate provided sufficient NMR-detectability of intracellular organic osmoregulants for these studies. A comparison of NMR spectra of intact cells and their ethanol extracts showed that the intact cell data were suitable for quantitative work, and, when combined with ESR measurements of cell volumes, yielded intracellular glucosylglycerol concentrations without disrupting the cells. NMR pulse-chase experiments were used to show that 13C-enriched glycogen, which had previously been accumulated by the cells under nitrogen-limited growth at low salinities, could be utilized for the synthesis of glucosylglycerol when the cells were abruptly transferred to hypersaline media, but only in the light. It was also shown that the accumulation of glucosylglycerol in the light occurred on a time scale similar to that of cell doubling. Depletion of glucosylglycerol when cells abruptly transferred to lower salinities appeared to be rapid--the intracellular pool of this osmoregulant was decreased 2-fold within 2 hours of hypotonic shock.
Ares, J.J.
1986-01-01
Aldose reductase converts glucose into sorbitol using NADPH as a cofactor. Sorbitol accumulation in various tissues is believed to play a major role in the development of debilitating complications of diabetes; thus, much effort has been directed toward the preparation of aldose reductase inhibitors. Of the compounds prepared, the most active are the isothiocyanate and azide analogs of the reversible aldose reductase inhibitor alrestatin. The potency of the alrestatin isothiocyanate prompted the authors to examine the possibility that isothiocyanates enriched with carbon-13 could be used as carbon-13 NMR protein probes. Toward this end, a synthesis of carbon-13 enriched phenylisothiocyanate has been developed. This reagent has been successfully utilized to study peptides via carbon-13 NMR spectroscopy. Research in their laboratory over the years has focused on answering two fundamental questions regarding the interaction of dopamine with its receptor. First, can the concept of bioisosterism be applied to dopamine agonists. Secondly, what is the actual molecular species of dopamine which interacts with the dopamine receptor. In an effort to answer these questions, methyl selenide and dimethyl selenonium analogs of dopamine have been synthesized.
Walker, T.E.; Han, C.H.; Kollman, V.H.; London, R.E.; Matwiyoff, N.A.
1982-02-10
/sup 13/C NMR of isotopically enriched metabolites has been used to study the metabolism of Microbacterium ammoniaphilum, a bacterium which excretes large quantities of L-glutamic acid into the medium. Biosynthesis from 90% (1-/sup 13/C) glucose results in relatively high specificity of the label, with (2,4-/sup 13/C/sub 2/) glutamate as the major product. The predominant biosynthetic pathway for synthesis of glutamate from glucose was determined to be the Embden Meyerhof glycolytic pathway followed by P-enolpyruvate carboxylase and the first third of the Krebs cycle. Different metabolic pathways are associated with different correlations in the enrichment of the carbons, reflected in the spectrum as different /sup 13/C-/sup 13/C scalar multiplet intensities. Hence, intensity and /sup 13/C-/sup 13/C multiplet analysis allows quantitation of the pathways involved. Although blockage of the Krebs cycle at the ..cap alpha..-ketoglutarate dehydrogenase step is the basis for the accumulation of glutamate, significant Krebs cycle activity was found in glucose grown cells, and extensive Krebs cycle activity in cells metabolizing (1-/sup 13/C) acetate. In addition to the observation of the expected metabolites, the disaccharide ..cap alpha..,..cap alpha..-trehalose and ..cap alpha..,..beta..-glucosylamine were identified from the /sup 13/C NMR spectra.
Vervoort, J.; Mueller, F.; Mayhew, S.G.; van den Berg, W.A.M.; Moonen, C.T.W.; Bacher, A.
1986-11-04
The flavodoxins from Megasphaera elsdenii, Clostridium MP, and Azotobacter vinelandii were studied by /sup 13/C, /sup 15/N, and /sup 31/P NMR techniques by using various selectivity enriched oxidized riboflavin 5'-phosphate (FMN) derivatives. It is shown that the ..pi.. electron distribution in protein-bound flavin differs from that of free flavin and depends also on the apoflavoprotein used. In the oxidized state Clostridium MP and M. elsdenii flavodoxins are very similar with respect to specific hydrogen bond interaction between FMN and the apoprotein and the electronic structure of flavin. A vinelandii flavodoxin differs from these flavodoxins in both respects, but it also differs from Desulfovibrio vulgaris flavodoxin. The similarities between A. vinelandii and D. vulgaris flavodoxins are greater than the similarities with the other two flavodoxins. The differences in the ..pi.. electron distribution in the FMN of reduced flavodoxins from A. vinelandii and D. vulgaris are even greater, but the hydrogen bond patterns between the reduced flavins and the apoflavodoxins are very similar. In the reduced state all flavodoxins studied contain an ionized prosthetic group and the isoalloxazine ring is in a planar conformation. The results are compared with existing three-dimensional data and discussed with respect to the various possible mesomeric structures in protein-bound FMN. The results are discussed in light of the proposed hypothesis that specific hydrogen bonding to the protein-bound flavin determines the specific biological activity of a particular flavoprotein.
Nunez, H.A.; Barker, R.
1980-02-05
Partially purified UDPgalactosyltransferase (EC 2.4.1.22) from bovine milk has been used to synthesize millimolar amounts of compounds such as Gal..beta..(1..-->..4)Glc, Gal..beta..(1..-->..4)GlcNAc-..beta..-hexanolamine, and Gal..beta..(1..-->..4)-GlcNAc..beta..(1..-->..4)GlcNAc. The same method has been used to prepare similar compounds containing /sup 13/C-enriched galactopyranosyl moieties. Gal..beta..(1..-->..4)GlcNAc-..beta..-hexanolamine was also synthesized in a solid-phase system in which the GlcNAc-..beta..-hexanolamine glycoside was covalently linked to agarose beads. At pH 7.0 and at 1 to 5 mM Mn/sup 2 + +/ the yields of the galactosyl saccharides are greater than 90% by using 10% excess of UDPGal donor. The use of a 90% enriched (1-/sup 13/C)galactosyl residue allowed the determination of the most abundant conformer about the galactopyranosyl-glycoside linkage by analysis of the carbon-carbon coupling constants from Cl to Gal to the C3', C4', and C5' of GlcNAc or Glc. 3 figures, 1 table.
Quantum measurement of a mesoscopic spin ensemble
Giedke, G.; Taylor, J. M.; Lukin, M. D.; D'Alessandro, D.; Imamoglu, A.
2006-09-15
We describe a method for precise estimation of the polarization of a mesoscopic spin ensemble by using its coupling to a single two-level system. Our approach requires a minimal number of measurements on the two-level system for a given measurement precision. We consider the application of this method to the case of nuclear-spin ensemble defined by a single electron-charged quantum dot: we show that decreasing the electron spin dephasing due to nuclei and increasing the fidelity of nuclear-spin-based quantum memory could be within the reach of present day experiments.
Ishikawa, K.; Patton, B.; Olsen, B. A.; Jau, Y.-Y.; Happer, W.
2011-06-15
Optical pumping of alkali-metal atoms in vapor cells causes spin currents to flow to the cell walls where excess angular momentum accumulates in the wall nuclei. Experiments reported here indicate that the substantial enhancement of the nuclear-spin polarization of salts at the cell walls is primarily due to the nuclear-spin current, with a lesser contribution from the electron-spin current of the vapor.
Pipe, J G
1999-11-01
Magnetic resonance imaging is fundamentally a measurement of the magnetism inherent in some nuclear isotopes; of these the proton, or hydrogen atom, is of particular interest for clinical applications. The magnetism in each nucleus is often referred to as spin. A strong, static magnetic field B0 is used to align spins, forming a magnetic density within the patient. A second, rotating magnetic field B1 (RF pulse) is applied for a short duration, which rotates the spins away from B0 in a process called excitation. After the spins are rotated away from B0, the RF pulse is turned off, and the spins precess about B0. As long as the spins are all pointing in the same direction at any one time (have phase coherence), they act in concert to create rapidly oscillating magnetic fields. These fields in turn create a current in an appropriately placed receiver coil, in a manner similar to that of an electrical generator. The precessing magnetization decays rapidly in a duration roughly given by the T2 time constant. At the same time, but at a slower rate, magnetization forms again along the direction of B0; the duration of this process is roughly expressed by the T1 time constant. The precessional frequency of each spin is proportional to the magnetic field experienced at the nucleus. Small variations in this magnetic field can have dramatic effects on the MR image, caused in part by loss of phase coherence. These magnetic field variations can arise because of magnet design, the magnetic properties (susceptibility) of tissues and other materials, and the nuclear environment unique to various sites within any given molecule. The loss of phase coherence can be effectively eliminated by the use of RF refocusing pulses. Conventional MR imaging experiments can be characterized as either gradient echo or spin echo, the latter indicating the use of a RF refocusing pulse, and by the parameters TR, TE, and flip angle alpha. Tissues, in turn, are characterized by their individual spin density, M0, and by the T1, T2, and T2* time constants. Knowledge of these parameters allows one to calculate the resulting signal from a given tissue for a given MR imaging experiment. PMID:10631671
Spin symmetry in the antinucleon spectrum.
Zhou, Shan-Gui; Meng, Jie; Ring, P
2003-12-31
We discuss spin and pseudospin symmetry in the spectrum of single nucleons and single antinucleons in a nucleus. As an example we use relativistic mean field theory to investigate single antinucleon spectra. We find a very well developed spin symmetry in single antineutron and single antiproton spectra. The dominant components of the wave functions of the spin doublet are almost identical. This spin symmetry in antiparticle spectra and the pseudospin symmetry in particle spectra have the same origin. However, it turns out that the spin symmetry in antinucleon spectra is much better developed than the pseudospin symmetry in normal nuclear single particle spectra. PMID:14754045
Tarasov, V.F. ); Bagranskaya, E.G.; Avdievich, N.I.; Lukzen, N.N.; Sagdeev, R.Z. ); Shkrob, I.A. ); Ghatlia, N.D.; Turro, N.J. )
1995-01-11
Stimulated nuclear polarization (SNP) and time resolved electron spin resonance (TR ESR) spectra were recorded during the laser flash photolysis of [sup 13]C carbonyl labeled [alpha]-methyldeoxybenzoin solubilized in a series of alkyl sulfate micelles of different sizes. While the SNP spectra show a decrease in the splitting of the two hyperfine lines with decreasing micelle size, this decrease in hyperfine splitting is not seen in the experimental TR ESR spectra The qualitatively different variations between the SNP and TR ESR spectra, as a function of micelle size were interpreted in terms of the stochastic Liouville equation as applied to the model of the microreactor. 28 refs., 6 figs., 2 tabs.
arXiv:0711.2237v1[nucl-th]14Nov2007 -nuclear spin-orbit coupling from two-pion exchange
Weise, Wolfram
) chiral perturbation theory we calculate the density-dependent complex- valued spin-orbit coupling of the - production mechanism plays an important role for the extracted value of the -nucleus repulsion. Within
Kubica, Dominika; Wody?ski, Artur; Kraska-Dziadecka, Anna; Gryff-Keller, Adam
2014-04-24
Continuing studies based on measurements of the nuclear spin relaxation rates running via the SC2 mechanism (scalar relaxation of the second kind), we present in this work the results obtained for three bromo compounds: CBrCl3, (CH3)3CBr, and CBr4. A careful separation of saturation-recovery curves, measured for signals of (13)C nuclei at 7.05 and 11.7 T on two components, has provided the longitudinal SC2 relaxation rates of carbon signals in (79)Br and (81)Br containing isotopomers of the investigated compounds. These data have enabled experimental determination of spin-spin coupling constants and relaxation rates of quadrupole bromine nuclei, both types of parameters being hardly accessible by direct measurements. Investigation of the relaxation behavior of these molecules, being of similar size and shape, has provided quite different practical and interpretational problems which are likely to be encountered in relaxation studies of many other carbon-bromine systems. In order to evaluate the quality of the obtained experimental results, advanced theoretical calculations of the indirect (1)J((13)C,(79)Br) coupling constants, magnetic shielding of carbon nuclei, and quadrupole coupling constants of bromines in the investigated compounds have been performed and compared with the experimental values. Relatively small divergences between experiment and theory have been found. The contributions of the relativistic effects to the values of the discussed parameters have been tentatively estimated. PMID:24679098
Spin-dependent recombination and hyperfine interaction at deep defects
NASA Astrophysics Data System (ADS)
Ivchenko, E. L.; Bakaleinikov, L. A.; Kalevich, V. K.
2015-05-01
We present a theoretical study of optical electron-spin orientation and spin-dependent Shockley-Read-Hall recombination in the longitudinal magnetic field, taking into account the hyperfine coupling between the bound-electron spin and the nuclear spin of a deep paramagnetic center. The master rate equations for the coupled system are extended to describe the nuclear spin relaxation by using two distinct relaxation times, ?n 1 and ?n 2, respectively, for defect states with one and two (singlet) bound electrons. The general theory is developed for an arbitrary value of the nuclear spin I . The magnetic-field and excitation-power dependencies of the electron and nuclear spin polarizations are calculated for the value of I =1 /2 . In this particular case the nuclear effects can be taken into account by a simple replacement of the bound-electron spin relaxation time by an effective time dependent on free-electron and hole densities and free-electron spin polarization. The role of nuclear spin relaxation is visualized by isolines of the electron spin polarization on a two-dimensional graph with the axes log2(?n 1) and log2(?n 2) .
Neutrino nuclear response and photo nuclear reaction
H. Ejiri; A. I. Titov; M. Boswell; A. Young
2013-11-10
Photo nuclear reactions are shown to be used for studying neutrino/weak nuclear responses involved in astro-neutrino nuclear interactions and double beta decays. Charged current weak responses for ground and excited states are studied by using photo nuclear reactions through isobaric analog states of those states, while neutral current weak responses for excited states are studied by using photo nuclear reactions through the excited states. The weak interaction strengths are studied by measuring the cross sections of the photo nuclear reactions, and the spin and parity of the state are studied by measuring angular correlations of particles emitted from the photo nuclear reactions. Medium-energy polarized photons obtained from laser photons scattered off GeV electrons are very useful. Nuclear responses studied by photo nuclear reactions are used to evaluate neutrino/weak nuclear responses, i.e. nuclear beta and double beta matrix elements and neutrino nuclear interactions, and to verify theoretical calculations for them.
Cao Ligang; Colo, Gianluca; Sagawa, Hiroyuki
2010-04-15
The Landau parameters of Skyrme interactions in the spin and spin-isospin channels are studied using various Skyrme effective interactions with and without tensor correlations. We focus on the role of the tensor terms on the spin and spin-isospin instabilities that can occur in nuclear matter above saturation density. We point out that these instabilities are realized in nuclear matter at the critical density of about two times the saturation density for all the adopted parameter sets. The critical density is shown to be very much dependent not only on the choice of the Skyrme parameter set, but also on the inclusion of the tensor terms.
Proton spin diffusion in a nanodiamond.
Panich, A M
2014-04-23
We report on a proton magnetic resonance study of a powder nanodiamond sample. We show that (1)H spin-lattice relaxation in this compound is mainly driven by the interaction of nuclear spins with unpaired electron spins of paramagnetic defects. We measured the spin-lattice relaxation time T1 by means of a saturation comb pulse sequence followed by dipolar dephasing, and plotted T1 as a function of the dephasing time [Formula: see text] in different external magnetic fields. The received T1([Formula: see text]) dependence provides a striking manifestation of the spin diffusion-assisted relaxation regime. The obtained experimental data allow us to estimate the spin diffusion coefficient and spin diffusion barrier radius. PMID:24691137
Creutz, Michael
2014-03-15
Quantum mechanics and relativity in the continuum imply the well known spin–statistics connection. However for particles hopping on a lattice, there is no such constraint. If a lattice model yields a relativistic field theory in a continuum limit, this constraint must “emerge” for physical excitations. We discuss a few models where a spin-less fermion hopping on a lattice gives excitations which satisfy the continuum Dirac equation. This includes such well known systems such as graphene and staggered fermions. -- Highlights: •The spin–statistics theorem is not required for particles on a lattice. •Spin emerges dynamically when spinless fermions have a relativistic continuum limit. •Graphene and staggered fermions are examples of this phenomenon. •The phenomenon is intimately tied to chiral symmetry and fermion doubling. •Anomaly cancellation is a crucial feature of any valid lattice fermion action.
Mayo, A.L.
1985-01-01
A number of ground-water radiocarbon dating models exist. Sensitivity analysis has shown that with certain plausible combinations of input data, the model results are appreciably dependent on the 13-C content of the mineral carbon reservoir used. It is common practice to fix this value, in many cases based on a single analysis or an estimate. This study examines the natural variations observed in the parameter on a variety of scales. Carbon-13 variations in the Mooney Falls Member of the Redwall Limestone were studied. Nine sampling sites were selected, ranging from 6 kilometers to one hundred kilometers apart. Two samples were taken from each site, one from about 1 meter and one from about 6 meters above the base. Results show differences in 13-C as great as 4 per thousand delta/sup 13/C vs PDB of the fracture surfaces and bulk rock. This is important since the infiltrating ground water interacts with these surfaces while the 13-C contents of the bulk rock is generally used in the models. This may lead to differences of several hundred to some thousand years in the estimated age of the waters. The general conclusions from this study are that: 1) there are conditions in ground-water dating under which it is misleading to assume that natural 13-C variations in the mineral carbon reservoir are negligible, and 2) there are conditions under which it is important to assure that the 13-C value used in modeling represents the composition of the material with which the water interacts rather than the bulk rock.
Adiabatic quantum computing with spin qubits hosted by molecules.
Yamamoto, Satoru; Nakazawa, Shigeaki; Sugisaki, Kenji; Sato, Kazunobu; Toyota, Kazuo; Shiomi, Daisuke; Takui, Takeji
2015-01-28
A molecular spin quantum computer (MSQC) requires electron spin qubits, which pulse-based electron spin/magnetic resonance (ESR/MR) techniques can afford to manipulate for implementing quantum gate operations in open shell molecular entities. Importantly, nuclear spins, which are topologically connected, particularly in organic molecular spin systems, are client qubits, while electron spins play a role of bus qubits. Here, we introduce the implementation for an adiabatic quantum algorithm, suggesting the possible utilization of molecular spins with optimized spin structures for MSQCs. We exemplify the utilization of an adiabatic factorization problem of 21, compared with the corresponding nuclear magnetic resonance (NMR) case. Two molecular spins are selected: one is a molecular spin composed of three exchange-coupled electrons as electron-only qubits and the other an electron-bus qubit with two client nuclear spin qubits. Their electronic spin structures are well characterized in terms of the quantum mechanical behaviour in the spin Hamiltonian. The implementation of adiabatic quantum computing/computation (AQC) has, for the first time, been achieved by establishing ESR/MR pulse sequences for effective spin Hamiltonians in a fully controlled manner of spin manipulation. The conquered pulse sequences have been compared with the NMR experiments and shown much faster CPU times corresponding to the interaction strength between the spins. Significant differences are shown in rotational operations and pulse intervals for ESR/MR operations. As a result, we suggest the advantages and possible utilization of the time-evolution based AQC approach for molecular spin quantum computers and molecular spin quantum simulators underlain by sophisticated ESR/MR pulsed spin technology. PMID:25501117
Decay of spin coherences in one-dimensional spin systems
Gurneet Kaur; Ashok Ajoy; Paola Cappellaro
2013-06-11
Strategies to protect multi-qubit states against decoherence are difficult to formulate because of their complex many-body dynamics. A better knowledge of the decay dynamics would help in the construction of decoupling control schemes. Here we use solid-state nuclear magnetic resonance techniques to experimentally investigate the decay of coherent multi-spin states in linear spin chains. Leveraging on the quasi-one-dimensional geometry of Fluorapatite crystal spin systems, we can gain a deeper insight on the multi-spin states created by the coherent evolution, and their subsequent decay, than it is possible in 3D systems. We are then able to formulate an analytical model that captures the key features of the decay. We can thus compare the decoherence behavior for different initial states of the spin chain and link their decay rate to the state characteristics, in particular their coherence and long-range correlation among spins. Our experimental and theoretical study shows that the spin chains undergo a rich dynamics, with a slower decay rate than for the 3D case, and thus might be more amenable to decoupling techniques.
Local spin structure of large spin fermions
NASA Astrophysics Data System (ADS)
Ho, Tin-Lun; Huang, Biao
2015-04-01
We show that large spin fermions have very rich spin structures. The local spin order of a spin-f Fermi gas is a linear combination of 2 f (particle-hole) angular momentum states, L =1 ,...,2 f . L =1 ,2 represent ferromagnetic and nematic spin order, while L ?3 are higher spin orders that have no analog in spin-1/2 systems. Each L spin sector is characterized as L pairs of antipodal points on a sphere. Model calculations show that some of these spin orders have the symmetry of Platonic solid, and many of them have non-Abelian line defects.
Cross-correlation spin noise spectroscopy of interacting multi-component spin systems
NASA Astrophysics Data System (ADS)
Yang, Luyi; Roy, Dibyendu; Crooker, Scott; Sinitsyn, Nikolai
2015-03-01
Interacting multi-component spin systems are ubiquitous in semiconductor spintronics; e . g . carrier-mediated ferromagnetism in magnetic semiconductors, or electronic spin coupling to nuclear spin baths. Traditionally, inter-species spin interactions are studied by experimental methods that are necessarily perturbative: e . g . , by intentionally polarizing or depolarizing one spin species and detecting the response of the other(s). Here, we show that multi-probe spin noise spectroscopy can reveal interspecies spin-spin interactions - under conditions of strict thermal equilibrium - by cross-correlating the stochastic fluctuation signals exhibited by each of the constituent spin species. We develop a theory for such noise cross-correlations in thermal equilibrium. As a proof of principle, we compare the results with an experimental study of a well-understood interacting spin system - a mixture of warm Rb and Cs vapors - by applying a new type of two-color spin noise spectroscopy. Noise correlations directly reveal the presence of inter-species spin exchange interactions. Such non-invasive and noise-based techniques should be generally applicable to any multi-component spin system in which the fluctuations of the constituent components are detectable.
Equilibration in closed quantum systems: Application to spin qubits
NASA Astrophysics Data System (ADS)
Hetterich, Daniel; Fuchs, Moritz; Trauzettel, Björn
2015-10-01
We study an "observable-based" notion of equilibration and its application to realistic systems like spin qubits in quantum dots. On the basis of the so-called distinguishability, we analytically derive general equilibration bounds, which we relate to the standard deviation of the fluctuations of the corresponding observable. Subsequently, we apply these ideas to the central spin model describing the spin physics in quantum dots. We probe our bounds by analyzing the spin dynamics induced by the hyperfine interaction between the electron spin and the nuclear spins using exact diagonalization. Interestingly, even small numbers of nuclear spins as found in carbon or silicon based quantum dots are sufficient to significantly equilibrate the electron spin.
Spin Relaxation in Ge/Si Core-Shell Nanowire Qubits
Yongjie Hu; Ferdinand Kuemmeth; Charles M. Lieber; Charles M. Marcus
2011-10-21
Controlling decoherence is the most challenging task in realizing quantum information hardware. Single electron spins in gallium arsenide are a leading candidate among solid- state implementations, however strong coupling to nuclear spins in the substrate hinders this approach. To realize spin qubits in a nuclear-spin-free system, intensive studies based on group-IV semiconductor are being pursued. In this case, the challenge is primarily control of materials and interfaces, and device nanofabrication. We report important steps toward implementing spin qubits in a predominantly nuclear-spin-free system by demonstrating state preparation, pulsed gate control, and charge-sensing spin readout of confined hole spins in a one-dimensional Ge/Si nanowire. With fast gating, we measure T1 spin relaxation times in coupled quantum dots approaching 1 ms, increasing with lower magnetic field, consistent with a spin-orbit mechanism that is usually masked by hyperfine contributions.
Electron spin coherence near room temperature in magnetic quantum dots
Moro, Fabrizio; Turyanska, Lyudmila; Wilman, James; Fielding, Alistair J.; Fay, Michael W.; Granwehr, Josef; Patanè, Amalia
2015-01-01
We report on an example of confined magnetic ions with long spin coherence near room temperature. This was achieved by confining single Mn2+ spins in colloidal semiconductor quantum dots (QDs) and by dispersing the QDs in a proton-spin free matrix. The controlled suppression of Mn–Mn interactions and minimization of Mn–nuclear spin dipolar interactions result in unprecedentedly long phase memory (TM?~?8??s) and spin–lattice relaxation (T1?~?10?ms) time constants for Mn2+ ions at T?=?4.5?K, and in electron spin coherence observable near room temperature (TM?~?1??s). PMID:26040432
Electrical control of quantum dot spin qubits
NASA Astrophysics Data System (ADS)
Laird, Edward Alexander
This thesis presents experiments exploring the interactions of electron spins with electric fields in devices of up to four quantum dots. These experiments are particularly motivated by the prospect of using electric fields to control spin qubits. A novel hyperfine effect on a single spin in a quantum dot is presented in Chapter 2. Fluctuations of the nuclear polarization allow single-spin resonance to be driven by an oscillating electric field. Spin resonance spectroscopy revealed a nuclear polarization built up inside the quantum dot device by driving the resonance. The evolution of two coupled spins is controlled by the combination of hyperfine interaction, which tends to cause spin dephasing, and exchange, which tends to prevent it. In Chapter 3, dephasing is studied in a device with tunable exchange, probing the crossover between exchange-dominated and hyperfine-dominated regimes. In agreement with theoretical predictions, oscillations of the spin conversion probability and saturation of dephasing are observed. Chapter 4 deals with a three-dot device, suggested as a potential qubit controlled entirely by exchange. Preparation and readout of the qubit state are demonstrated, together with one out of two coherent exchange operations needed for arbitrary manipulations. A new readout technique allowing rapid device measurement is described. In Chapter 5, an attempt to make a two-qubit gate using a four-dot device is presented. Although spin qubit operation has not yet been possible, the electrostatic interaction between pairs of dots was measured to be sufficient in principle for coherent qubit coupling.
The Art of Neutron Spin Flipping
NASA Astrophysics Data System (ADS)
Lieffers, Justin; Holley, Adam; Snow, W. M.
2014-09-01
Low energy precision measurements complement high energy collider results in the search for physics beyond the Standard Model. Neutron spin rotation is a sensitive technique to search for possible exotic velocity and spin-dependent interactions involving the neutron from the exchange of light (~ meV) spin 1 bosons. We plan to conduct such searches using beams of cold neutrons at the Los Alamos Neutron Science Center (LANSCE) and the National Institute of Standards and Technology (NIST). To change the spin state of the neutrons in the apparatus we have developed an Adiabatic Fast Passage (AFP) neutron spin flipper. I will present the mechanical design, static and RF magnetic field modeling and measurements, and spin flip efficiency optimization of the constructed device. I would like to acknowledge the NSF REU program (NSF-REU grant PHY-1156540) and the Indiana University nuclear physics group (NSF grant PHY-1306942) for this opportunity.
Theory of quantum control of spin-photon dynamics and spin decoherence in semiconductors
NASA Astrophysics Data System (ADS)
Yao, Wang
Single electron spin in a semiconductor quantum dot (QD) and single photon wavepacket propagating in an optical waveguide are investigated as carriers of quantum bit (qubit) for information processing. Cavity quantum electrodynamics of the coupled system composed of charged QD, microcavity and waveguide provides a quantum interface for the interplay of stationary spin qubits and flying photon qubits via cavity assisted optical control. This interface forms the basis for a wide range of essential functions of a quantum network, including transferring, swapping, and entangling qubits at distributed quantum nodes as well as a deterministic source and an efficient detector of a single photon wavepacket with arbitrarily specified shape. The cavity assisted optical process also made possible ultrafast initialization and QND readout of the spin qubit in QD. In addition, the strong optical nonlinearity of dot-cavity-waveguide coupled system enables phase gate and entanglement operation for flying single photon qubits in waveguides. The coherence of the electron spin is the wellspring of these quantum applications being investigated. At low temperature and strong magnetic field, the dominant cause of electron spin decoherence is the coupling with the interacting lattice nuclear spins. We present a quantum solution to the coupled dynamics of the electron with the nuclear spin bath. The decoherence is treated in terms of quantum entanglement of the electron with the nuclear pair-flip excitations driven by the various nuclear interactions. A novel nuclear interaction, mediated by virtue spin-flips of the single electron, plays an important role in single spin free-induction decay (FID). The spin echo not only refocuses the dephasing by inhomogeneous broadening in ensemble dynamics but also eliminates the decoherence by electron-mediated nuclear interaction. Thus, the decoherence times for single spin FID and ensemble spin echo are significantly different. The quantum theory of decoherence also leads to a method of coherence recovery of the electron by disentanglement, realized through maneuvering the nuclear bath evolution by control of the electron spin-flip. The studies form the basis to outline the construction of a solid-state quantum network for scalable and distributed processing of quantum information.
NASA Astrophysics Data System (ADS)
Kupenko, I.; McCammon, C. A.; Sinmyo, R.; Cerantola, V.; Potapkin, V.; Chumakov, A.; Kantor, A.; Rüffer, R.; Dubrovinsky, L. S.
2013-12-01
Iron-, aluminum-containing magnesium silicate perovskite (FeAlPv) is believed to be the main component of the Earth's lower mantle. The electronic spin state of iron in different valence states in FeAlPv may affect thermal and electrical conductivities, thermodynamic and other properties of the Earth's interior. Numerous high pressure studies of iron in FeAlPv have been performed and many of the studies gave conflicting results. Mössbauer spectroscopy provides information on the abundance of individual iron species (valence and spin state as well as site occupation); however up until now high temperature studies were limited to only 800 K using a resistively heated diamond anvil cell. The recently developed Synchrotron Mössbauer Source at the European Synchrotron Radiation Facility coupled with a portable laser-heating system for diamond anvil cells allows the collection of in situ energy domain Mössbauer spectroscopic data at conditions of the Earth's lower mantle. We will present the first high-pressure high-temperature studies on the iron electronic configuration in FeAlPv measured using Mössbauer spectroscopy, complemented by investigations at high pressure and ambient temperature that provide high resolution data for the analysis of individual site and valence state contributions. We will present the methodology of spectra interpretation and discuss the implications of the results to the properties of the Earth's interior.
Quantum Cavity for Spin due to Spin-Orbit Interaction at a Metal Boundary
NASA Astrophysics Data System (ADS)
Varykhalov, A.; Sánchez-Barriga, J.; Shikin, A. M.; Gudat, W.; Eberhardt, W.; Rader, O.
2008-12-01
A quantum cavity for spin is created using a tungsten crystal as substrate of high nuclear charge and breaking the structural inversion symmetry through deposition of a gold quantum film. Spin- and angle-resolved photoelectron spectroscopy shows directly that quantum-well states and the “matrioshka” or Russian nested doll Fermi surface of the gold film are spin polarized and spin-orbit split up to a thickness of at least nine atomic layers. Ferromagnetic materials or external magnetic fields are not required, and the quantum film does not need to possess a high atomic number as analogous results with silver show.
Simulating decoherence behavior of a system in entangled state using nuclear magnetic resonance
Jingfu Zhang; Zhiheng Lu; Lu Shan; Zhiwei Deng
2002-04-19
By choosing H nucleus in Carbon-13 labelled trichloroethylene as one qubit environment, and two C nuclei as a two-qubit system, we have simulated quantum decoherence when the system lies in an entangled state using nuclear magnetic resonance (NMR). Decoupling technique is used to trace over the environment degrees of freedom. Experimental results show agreements with the theoretical predictions. Our experiment scheme can be generalized to the case that environment is composed of multiple qubits.
Exchange-Induced Spin Blockade in a Two-Electron Double Quantum Dot.
Imanaka, D; Sharmin, S; Hashisaka, M; Muraki, K; Fujisawa, T
2015-10-23
We have experimentally identified the exchange-induced spin blockade in a GaAs double quantum dot. The transport is suppressed only when the eigenstates are well-defined singlet and triplet states, and thus sensitive to dynamic nuclear-spin polarization that causes singlet-triplet mixing. This gives rise to unusual current spectra, such as a sharp current dip and an asymmetric current profile near the triplet resonance of a double quantum dot. Numerical simulations suggest that the current dip is a signature of identical nuclear-spin polarization in the two dots, which is attractive for coherent spin manipulations in a material with nuclear spins. PMID:26551135
Exchange-Induced Spin Blockade in a Two-Electron Double Quantum Dot
NASA Astrophysics Data System (ADS)
Imanaka, D.; Sharmin, S.; Hashisaka, M.; Muraki, K.; Fujisawa, T.
2015-10-01
We have experimentally identified the exchange-induced spin blockade in a GaAs double quantum dot. The transport is suppressed only when the eigenstates are well-defined singlet and triplet states, and thus sensitive to dynamic nuclear-spin polarization that causes singlet-triplet mixing. This gives rise to unusual current spectra, such as a sharp current dip and an asymmetric current profile near the triplet resonance of a double quantum dot. Numerical simulations suggest that the current dip is a signature of identical nuclear-spin polarization in the two dots, which is attractive for coherent spin manipulations in a material with nuclear spins.
Limits on Anomalous Spin-Spin Couplings between Neutrons Alexander G. Glenday,1,2
Walsworth, Ronald L.
-order electric or magnetic nuclear multipole moments. In one chamber of the glass cell, the pump bulb (maintained modulating the nuclear spin polarization of a nearby 3He ensemble in a separate glass cell. We place limits been interpreted in terms of forces mediated by the axion, which is of interest as a solution
Suppression of spin-bath dynamics for improved coherence of multi-spin-qubit systems.
Bar-Gill, N; Pham, L M; Belthangady, C; Le Sage, D; Cappellaro, P; Maze, J R; Lukin, M D; Yacoby, A; Walsworth, R
2012-01-01
Multi-qubit systems are crucial for the advancement and application of quantum science. Such systems require maintaining long coherence times while increasing the number of qubits available for coherent manipulation. For solid-state spin systems, qubit coherence is closely related to fundamental questions of many-body spin dynamics. Here we apply a coherent spectroscopic technique to characterize the dynamics of the composite solid-state spin environment of nitrogen-vacancy colour centres in room temperature diamond. We identify a possible new mechanism in diamond for suppression of electronic spin-bath dynamics in the presence of a nuclear spin bath of sufficient concentration. This suppression enhances the efficacy of dynamical decoupling techniques, resulting in increased coherence times for multi-spin-qubit systems, thus paving the way for applications in quantum information, sensing and metrology. PMID:22617298
Keith, C. D.
2009-08-04
A polarized, frozen spin target has been designed and constructed at Jefferson Lab for use inside the CEBAF Large Acceptance Spectrometer. Protons in TEMPO-doped butanol are polarized via dynamic nuclear polarization (DNP) to approximately 90% using microwaves and an external, 5 T solenoid magnet. The target sample is then cooled to approximately 30 mK while an internal 0.56 T superconducting magnet is used to maintain the polarization. Relaxation times in excess of 3500 hours have been observed.
Single spin stochastic optical reconstruction microscopy
Pfender, Matthias; Waldherr, Gerald; Wrachtrup, Jörg
2014-01-01
We experimentally demonstrate precision addressing of single quantum emitters by combined optical microscopy and spin resonance techniques. To this end we utilize nitrogen-vacancy (NV) color centers in diamond confined within a few ten nanometers as individually resolvable quantum systems. By developing a stochastic optical reconstruction microscopy (STORM) technique for NV centers we are able to simultaneously perform sub diffraction-limit imaging and optically detected spin resonance (ODMR) measurements on NV spins. This allows the assignment of spin resonance spectra to individual NV center locations with nanometer scale resolution and thus further improves spatial discrimination. For example, we resolved formerly indistinguishable emitters by their spectra. Furthermore, ODMR spectra contain metrology information allowing for sub diffraction-limit sensing of, for instance, magnetic or electric fields with inherently parallel data acquisition. As an example, we have detected nuclear spins with nanometer sca...
New Experiments with Spinning Metallic Discs
NASA Astrophysics Data System (ADS)
Mazuruk, Konstantin; Grugel, Richard N.
2003-01-01
A number of recent advanced theories related to torsion properties of the space-time matrix predict the existence of an interaction between classically spinning objects. Indeed, some experimental data suggest that spinning magnetic bodies discernibly interact with Earth's natural fields. If there are interactions between rotating bodies then nuclear spins could be used for detection. Thus, assuming a spinning body induces a hypothetical torsion field, a sensor based on the giant magnetoresistance effect would detect local changes. Experimentally, spinning a brass wheel shielded from Earth's magnetic field showed no measurable change in signals; with no shielding a Faraday disc phenomenon was observed. Unexpected experimental measurements from the non-axial Faraday disc configuration were recorded and a theoretical model was derived to explain them.
Qiu, Z.W.; Grant, D.M.; Pugmire, R.J.
1982-05-19
Using the free radical 2,2,6,6-tetramethylpiperidinyl-1-oxy (TEMPO) as a shift reagent, both apparent and true molar paramagnetic shifts of 22 compounds are reported. Paramagnetic shifts increase monotonically with measures of conjugation and aromaticity. The nonalternant hydrocarbons experience greater effects than the corresponding alternant systems. Steric hindrance effects become important factors in various methyl derivatives. As previously supposed the shifts do not appear to relate primarily with either the frontier spin densities or with ..pi..-charge densities. Therefore, the direct charge-transfer or spin delocalization proposals requiring a strong intermolecular interaction of the ..pi..-stacking variety are felt not to be attractive. Linear correlation exists between these and Morishima's data and between the data for TEMPO and 4-OH-TEMPO. In each case TEMPO is more effetive as a shift reagent than the other two nitroxide free radicals. A shift model involving a pseudocontact interaction during the existence of a transient weak complex is supported by these data. 5 figures, 1 table.
Seeing spin dynamics in atomic gases
Dan M. Stamper-Kurn
2014-12-31
The dynamics of internal spin, electronic orbital, and nuclear motion states of atoms and molecules have preoccupied the atomic and molecular physics community for decades. Increasingly, such dynamics are being examined within many-body systems composed of atomic and molecular gases. Our findings sometimes bear close relation to phenomena observed in condensed-matter systems, while on other occasions they represent truly new areas of investigation. I discuss several examples of spin dynamics that occur within spinor Bose-Einstein gases, highlighting the advantages of spin-sensitive imaging for understanding and utilizing such dynamics.
Nuclear Magnetic Resonance Coupling Constants and Electronic Structure in Molecules.
ERIC Educational Resources Information Center
Venanzi, Thomas J.
1982-01-01
Theory of nuclear magnetic resonance spin-spin coupling constants and nature of the three types of coupling mechanisms contributing to the overall spin-spin coupling constant are reviewed, including carbon-carbon coupling (neither containing a lone pair of electrons) and carbon-nitrogen coupling (one containing a lone pair of electrons).…
Popescu, Carmen-Mihaela; Larsson, Per Tomas; Tibirna, Carmen Mihaela; Vasile, Cornelia
2010-09-01
X-ray diffraction, scanning electron microscopy (SEM), and solid-state cross-polarization magic-angle-spinning (CP/MAS) (13)C-NMR spectroscopy were applied to determine changes over time in the morphology and crystallinity of lime wood (Tilia cordata Miller) generated by the soft-rot fungi. Wood samples were inoculated with Trichoderma viride Pers for various durations up to 84 days. Structural and morphological modifications were assessed by comparing the structural features of decayed lime wood samples with references. Significant morphology changes such as defibration or small cavities were clearly observed on the SEM micrographs of lime wood samples exposed to fungi. Following the deconvolution process of the diffraction patterns, the degree of crystallinity, apparent lateral crystallite size, the proportion of crystallite interior chains, and the cellulose fraction have been determined. It was found that all crystallographic data vary with the duration of exposure to fungi. The degree of crystallinity and cellulose fraction tend to decrease, whereas the apparent lateral crystallite size and the proportion of crystallite interior chains increase with prolonged biodegradation processes. The most relevant signals in CP/MAS (13)C-NMR spectra were assigned according to literature data. The differences observed were discussed in terms of lignin and cellulose composition: by fixing the lignin reference signal intensity, the cellulose and hemicelluloses moieties showed a relative decrease compared to the lignin signals in decayed wood. PMID:20828443
Initialization and Readout of Spin Chains for Quantum Information Transport
Gurneet Kaur; Paola Cappellaro
2011-12-02
Linear chains of spins acting as quantum wires are a promising approach to achieve scalable quantum information processors. Nuclear spins in apatite crystals provide an ideal test-bed for the experimental study of quantum information transport, as they closely emulate a one-dimensional spin chain. Nuclear Magnetic Resonance techniques can be used to drive the spin chain dynamics and probe the accompanying transport mechanisms. Here we demonstrate initialization and readout capabilities in these spin chains, even in the absence of single-spin addressability. These control schemes enable preparing desired states for quantum information transport and probing their evolution under the transport Hamiltonian. We further optimize the control schemes by a detailed analysis of $^{19}$F NMR lineshape.
Hu, Jian Z.; Sears, Jesse A.; Mehta, Hardeep S.; Ford, Joseph J.; Kwak, Ja Hun; Zhu, Kake; Wang, Yong; Liu, Jun; Hoyt, David W.; Peden, Charles HF
2012-02-21
A large-sample-volume constant-flow magic angle sample spinning (CF-MAS) NMR probe is reported for in-situ studies of the reaction dynamics, stable intermediates/transition states, and mechanisms of catalytic reactions. In our approach, the reactants are introduced into the catalyst bed using a fixed tube at one end of the MAS rotor while a second fixed tube, linked to a vacuum pump, is attached at the other end of the rotor. The pressure difference between both ends of the catalyst bed inside the sample cell space forces the reactants flowing through the catalyst bed, which improves the diffusion of the reactants and products. This design allows the use of a large sample volume for enhanced sensitivity and thus permitting in-situ 13C CF-MAS studies at natural abundance. As an example of application, we show that reactants, products and reaction transition states associated with the 2-butanol dehydration reaction over a mesoporous silicalite supported heteropoly acid catalyst (HPA/meso-silicalite-1) can all be detected in a single 13C CF-MAS NMR spectrum at natural abundance. Coke products can also be detected at natural 13C abundance and under the stopped flow condition. Furthermore, 1H CF-MAS NMR is used to identify the surface functional groups of HPA/meso-silicalite-1 under the condition of in-situ drying . We also show that the reaction dynamics of 2-butanol dehydration using HPA/meso-silicalite-1 as a catalyst can be explored using 1H CF-MAS NMR.
Kobayashi, Takeshi; Gupta, Shalabh; Caporini, Marc A; Pecharsky, Vitalij K; Pruski, Marek
2014-08-28
The solid-state thermolysis of ammonia borane (NH3BH3, AB) was explored using state-of-the-art 15N solid-state NMR spectroscopy, including 2D indirectly detected 1H{15N} heteronuclear correlation and dynamic nuclear polarization (DNP)-enhanced 15N{1H} cross-polarization experiments as well as 11B NMR. The complementary use of 15N and 11B NMR experiments, supported by density functional theory calculations of the chemical shift tensors, provided insights into the dehydrogenation mechanism of AB—insights that have not been available by 11B NMR alone. Specifically, highly branched polyaminoborane derivatives were shown to form from AB via oligomerization in the “head-to-tail” manner, which then transform directly into hexagonal boron nitride analog through the dehydrocyclization reaction, bypassing the formation of polyiminoborane.
Spin microscope based on optically detected magnetic resonance
Berman, Gennady P. (Los Alamos, NM); Chernobrod, Boris M. (Los Alamos, NM)
2009-11-10
The invention relates to scanning magnetic microscope which has a photoluminescent nanoprobe implanted in the tip apex of an atomic force microscope (AFM), a scanning tunneling microscope (STM) or a near-field scanning optical microscope (NSOM) and exhibits optically detected magnetic resonance (ODMR) in the vicinity of impaired electron spins or nuclear magnetic moments in the sample material. The described spin microscope has demonstrated nanoscale lateral resolution and single spin sensitivity for the AFM and STM embodiments.
Spin microscope based on optically detected magnetic resonance
Berman, Gennady P. (Los Alamos, NM); Chernobrod, Boris M. (Los Alamos, NM)
2009-10-27
The invention relates to scanning magnetic microscope which has a photoluminescent nanoprobe implanted in the tip apex of an atomic force microscope (AFM), a scanning tunneling microscope (STM) or a near-field scanning optical microscope (NSOM) and exhibits optically detected magnetic resonance (ODMR) in the vicinity of unpaired electron spins or nuclear magnetic moments in the sample material. The described spin microscope has demonstrated nanoscale lateral resolution and single spin sensitivity for the AFM and STM embodiments.
Spin microscope based on optically detected magnetic resonance
Berman, Gennady P. (Los Alamos, NM); Chernobrod, Boris M. (Los Alamos, NM)
2010-06-29
The invention relates to scanning magnetic microscope which has a photoluminescent nanoprobe implanted in the tip apex of an atomic force microscope (AFM), a scanning tunneling microscope (STM) or a near-field scanning optical microscope (NSOM) and exhibits optically detected magnetic resonance (ODMR) in the vicinity of unpaired electron spins or nuclear magnetic moments in the sample material. The described spin microscope has demonstrated nanoscale lateral resolution and single spin sensitivity for the AFM and STM embodiments.
Spin microscope based on optically detected magnetic resonance
Berman, Gennady P. (Los Alamos, NM); Chernobrod, Boris M. (Los Alamos, NM)
2007-12-11
The invention relates to scanning magnetic microscope which has a photoluminescent nanoprobe implanted in the tip apex of an atomic force microscope (AFM), a scanning tunneling microscope (STM) or a near-field scanning optical microscope (NSOM) and exhibits optically detected magnetic resonance (ODMR) in the vicinity of unpaired electron spins or nuclear magnetic moments in the sample material. The described spin microscope has demonstrated nanoscale lateral resolution and single spin sensitivity for the AFM and STM embodiments.
Spin microscope based on optically detected magnetic resonance
Berman, Gennady P. (Los Alamos, NM); Chernobrod, Boris M. (Los Alamos, NM)
2010-07-13
The invention relates to scanning magnetic microscope which has a photoluminescent nanoprobe implanted in the tip apex of an atomic force microscope (AFM), a scanning tunneling microscope (STM) or a near-field scanning optical microscope (NSOM) and exhibits optically detected magnetic resonance (ODMR) in the vicinity of unpaired electron spins or nuclear magnetic moments in the sample material. The described spin microscope has demonstrated nanoscale lateral resolution and single spin sensitivity for the AFM and STM embodiments.
Visualization of an entangled channel spin-1 system
Sirsi, Swarnamala; Adiga, Veena
2010-08-15
Covariance matrix formalism gives powerful entanglement criteria for continuous as well as finite dimensional systems. We use this formalism to study a mixed channel spin-1 system which is well known in nuclear reactions. A spin-j state can be visualized as being made up of 2j spinors which are represented by a constellation of 2j points on a Bloch sphere using Majorana construction. We extend this formalism to visualize an entangled mixed spin-1 system.
Controlling spins and photons For fundamentally secure communication
van der Wal, Caspar H.
focuses on explor- ing spintronic and quantum information functionalities with electron spins and nuclear at the single-pho- ton level that travel in fibers. If a memo- [1] For a good recent review and introduction
Nuclear Magnetic Double Resonance Using Weak Perturbing RF Fields
ERIC Educational Resources Information Center
Reynolds, G. Fredric
1977-01-01
Describes a nuclear magnetic resonance experimental example of spin tickling; also discusses a direct approach for verifying the relative signs of coupling constants in three-spin cyclopropyl systems. (SL)
Spin dynamics in CuO and Cu[sub 1[minus][ital x
Carretta, P.; Corti, M.; Rigamonti, A. )
1993-08-01
[sup 63]Cu nuclear quadrupole resonance (NQR), nuclear antiferromagnetic resonance (AFNMR), and spin-lattice relaxation, as well as [sup 7]Li NMR and relaxation measurements in CuO and in Cu[sub 1[minus][ital x
Spin-Spin Coupling in Asteroidal Binaries
NASA Astrophysics Data System (ADS)
Batygin, Konstantin; Morbidelli, Alessandro
2015-11-01
Gravitationally bound binaries constitute a substantial fraction of the small body population of the solar system, and characterization of their rotational states is instrumental to understanding their formation and dynamical evolution. Unlike planets, numerous small bodies can maintain a perpetual aspheroidal shape, giving rise to a richer array of non-trivial gravitational dynamics. In this work, we explore the rotational evolution of triaxial satellites that orbit permanently deformed central objects, with specific emphasis on quadrupole-quadrupole interactions. Our analysis shows that in addition to conventional spin-orbit resonances, both prograde and retrograde spin-spin resonances naturally arise for closely orbiting, highly deformed bodies. Application of our results to the illustrative examples of (87) Sylvia and (216) Kleopatra multi-asteroid systems implies capture probabilities slightly below ~10% for leading-order spin-spin resonances. Cumulatively, our results suggest that spin-spin coupling may be consequential for highly elongated, tightly orbiting binary objects.
Keren, Amit
terms which can obscure the local magnetic moment effects. Nuclear moments in Fe0:05TiS2 are all zero12]. It was chosen since a muon is sensitive to the magnetic fields generated by nuclear moments, so it is best to work with spin glasses which have low or zero nuclear moments in order to eliminate parasitic nuclear
Optical polarization of nuclear ensembles in diamond
Ran Fischer; Andrey Jarmola; Pauli Kehayias; Dmitry Budker
2013-01-21
We report polarization of a dense nuclear-spin ensemble in diamond and its dependence on magnetic field and temperature. The polarization method is based on the transfer of electron spin polarization of negatively charged nitrogen vacancy color centers to the nuclear spins via the excited-state level anti-crossing of the center. We polarize 90% of the 14N nuclear spins within the NV centers, and 70% of the proximal 13C nuclear spins with hyperfine interaction strength of 13-14 MHz. Magnetic-field dependence of the polarization reveals sharp decrease in polarization at specific field values corresponding to cross-relaxation with substitutional nitrogen centers, while temperature dependence of the polarization reveals that high polarization persists down to 50 K. This work enables polarization of the 13C in bulk diamond, which is of interest in applications of nuclear magnetic resonance, in quantum memories of hybrid quantum devices, and in sensing.
NASA Astrophysics Data System (ADS)
Tocci, Joseph
2009-05-01
In high gravitational situations, such as blackholes, spin-state mechanic undergo changes. The orthogonal basis which spin-state information is emended in becomes deformed along its path to the singularity. At this point the spin-state information is lost in both stationary and spinning blackhole cases.
Spin dynamics simulation of electron spin relaxation in Ni{sup 2+}(aq)
Rantaharju, Jyrki Mareš, Ji?í Vaara, Juha
2014-07-07
The ability to quantitatively predict and analyze the rate of electron spin relaxation of open-shell systems is important for electron paramagnetic resonance and paramagnetic nuclear magnetic resonance spectroscopies. We present a combined molecular dynamics (MD), quantum chemistry (QC), and spin dynamics simulation method for calculating such spin relaxation rates. The method is based on the sampling of a MD trajectory by QC calculations, to produce instantaneous parameters of the spin Hamiltonian used, in turn, to numerically solve the Liouville-von Neumann equation for the time evolution of the spin density matrix. We demonstrate the approach by simulating the relaxation of electron spin in an aqueous solution of Ni{sup 2+} ion. The spin-lattice (T{sub 1}) and spin-spin (T{sub 2}) relaxation rates are extracted directly from the simulations of the time dependence of the longitudinal and transverse magnetization, respectively. Good agreement with the available, indirectly obtained experimental data is obtained by our method.
Spectroscopy of composite solid-state spin environments for improved metrology with spin ensembles
N. Bar-Gill; L. M. Pham; C. Belthangady; D. Le Sage; P. Cappellaro; J. R. Maze; M. D. Lukin; A. Yacoby; R. Walsworth
2011-12-07
For precision coherent measurements with ensembles of quantum spins the relevant Figure-of-Merit (FOM) is the product of polarized spin density and coherence lifetime, which is generally limited by the dynamics of the spin environment. Here, we apply a coherent spectroscopic technique to characterize the dynamics of the composite solid-state spin environment of Nitrogen-Vacancy (NV) centers in room temperature diamond. For samples of very different NV densities and impurity spin concentrations, we show that NV FOM values can be almost an order of magnitude larger than previously achieved in other room-temperature solid-state spin systems, and within an order of magnitude of the state-of-the-art atomic system. We also identify a new mechanism for suppression of electronic spin bath dynamics in the presence of a nuclear spin bath of sufficient concentration. This suppression could inform efforts to further increase the FOM for solid-state spin ensemble metrology and collective quantum information processing.
BAI,M.; ROSER, T.
2007-06-25
This paper proposes a new design of spin flipper for RHIC to obtain full spin flip with the spin tune staying at half integer. The traditional technique of using an rf dipole or solenoid as spin flipper to achieve full spin flip in the presence of full Siberian snake requires one to change the snake configuration to move the spin tune away from half integer. This is not practical for an operational high energy polarized proton collider like RHIC where beam lifetime is sensitive to small betatron tune change. The design of the new spin flipper as well as numerical simulations are presented.
Vuichoud, Basile; Milani, Jonas; Chappuis, Quentin; Bornet, Aurélien; Bodenhausen, Geoffrey; Jannin, Sami
2015-11-01
Dynamic nuclear polarization at 1.2K and 6.7T allows one to achieve spin temperatures on the order of a few millikelvin, so that the high-temperature approximation (?E
NASA Astrophysics Data System (ADS)
Vuichoud, Basile; Milani, Jonas; Chappuis, Quentin; Bornet, Aurélien; Bodenhausen, Geoffrey; Jannin, Sami
2015-11-01
Dynamic nuclear polarization at 1.2 K and 6.7 T allows one to achieve spin temperatures on the order of a few millikelvin, so that the high-temperature approximation (? E < kT) is violated for the nuclear Zeeman interaction ? E = ?B0h/(2 ?) of most isotopes. Provided that, after rapid dissolution and transfer to an NMR or MRI system, the hyperpolarized molecules contain at least two nuclear spins I and S with a scalar coupling JIS, the polarization of spin I (short for 'investigated') can be determined from the asymmetry AS of the multiplet of spin S (short for 'spy'), provided perturbations due to second-order (strong coupling) effects are properly taken into account. If spin S is suitably discreet and does not affect the relaxation of spin I, this provides an elegant way of measuring spin polarizations 'on the fly' in a broad range of molecules, thus obviating the need for laborious measurements of signal intensities at thermal equilibrium. The method, dubbed Spin PolarimetrY Magnetic Resonance (SPY-MR), is illustrated for various pairs of 13 C spins (I, S) in acetate and pyruvate.
Entanglement in a Solid State Spin Ensemble
Stephanie Simmons; Richard M. Brown; Helge Riemann; Nikolai V. Abrosimov; Peter Becker; Hans-Joachim Pohl; Mike L. W. Thewalt; Kohei M. Itoh; John J. L. Morton
2010-11-24
Entanglement is the quintessential quantum phenomenon and a necessary ingredient in most emerging quantum technologies, including quantum repeaters, quantum information processing (QIP) and the strongest forms of quantum cryptography. Spin ensembles, such as those in liquid state nuclear magnetic resonance, have been powerful in the development of quantum control methods, however, these demonstrations contained no entanglement and ultimately constitute classical simulations of quantum algorithms. Here we report the on-demand generation of entanglement between an ensemble of electron and nuclear spins in isotopically engineered phosphorus-doped silicon. We combined high field/low temperature electron spin resonance (3.4 T, 2.9 K) with hyperpolarisation of the 31P nuclear spin to obtain an initial state of sufficient purity to create a non-classical, inseparable state. The state was verified using density matrix tomography based on geometric phase gates, and had a fidelity of 98% compared with the ideal state at this field and temperature. The entanglement operation was performed simultaneously, with high fidelity, to 10^10 spin pairs, and represents an essential requirement of a silicon-based quantum information processor.
K. Morawetz
2015-12-05
The coupled kinetic equation for density and spin Wigner functions are derived including spin-orbit coupling, electric and magnetic field as well as selfconsistent Hartree meanfields suited for SU(2) transport. The interactions are assumed to be with scalar and magnetic impurities as well as scalar and spin-flip potentials among the particles. The spin-orbit interaction is used in a form suitable to solid state physics with Rashba or Dresselhaus coupling, graphene, extrinsic spin-orbit coupling as well as effective nuclear matter coupling. The deficiencies of the two-fluid model are worked out consisting in the appearance of an effective in-medium spin-precession. The stationary solution of all these systems shows a band splitting controlled by an effective medium-dependent Zeeman field. The selfconsistent precession direction is discussed and a cancellation of linear spin-orbit coupling at zero temperature is reported. The precession of spin around this effective direction caused by spin-orbit coupling leads to anomalous charge and spin currents in an electric field. Anomalous Hall conductivity is shown to consists of the known results obtained from Kubo formula or Berry phases and a new symmetric part interpreted as inverse Hall effect. Analogously the spin-Hall and inverse spin-Hall effect of spin currents are discussed which are present even without magnetic fields showing a spin accumulation triggered by currents. The analytical dynamical expressions for zero temperature are derived and discussed in dependence on the magnetic field and effective magnetizations. The anomalous Hall and spin-Hall effect changes sign at higher than a critical frequency dependent on the relaxation time.
Spin accumulation in thin Cs salts on contact with optically polarized Cs vapor
Ishikawa, Kiyoshi
2011-09-15
The spin angular momentum accumulates in the Cs nuclei of salt on contact with optically pumped Cs vapor. The spin polarization in stable chloride as well as dissociative hydride indicates that nuclear dipole interaction works in spin transferring with a lesser role of atom exchange. In the solid film, not only the spin buildup but also the decay of enhanced polarization is faster than the thermal recovery rate for the bulk salt. Eliminating the signal of thick salt, we find that the nuclear spin polarization in the chloride film reaches over 100 times the thermal equilibrium.
Spin noise of localized electrons: Interplay of hopping and hyperfine interaction
NASA Astrophysics Data System (ADS)
Glazov, M. M.
2015-05-01
The theory of spin fluctuations is developed for an ensemble of localized electrons, taking into account both the hyperfine interaction of electron and nuclear spins and electron hopping between the sites. The analytical expression for the spin noise spectrum is derived for an arbitrary relation between the electron spin precession frequency in a field of nuclear fluctuations and the hopping rate. An increase in the hopping rate results in a drastic change in the spin noise spectrum. The effect of an external magnetic field is briefly addressed.
Recent experimental advances in spin glasses
Huang, C.Y.
1983-01-01
We present a working definition and a general description of a spin glass. A number of different systems, including metals, semiconductors, and insulators, are discussed. This review presents the current status of experimental spin-glass research with special emphasis on the extent to which the results of this research yield information on spin dynamics. We review the salient features of a series of recent experimental results, published in the past five years, on the susceptibility, magnetization, heat capacity, high-pressure effects, phonon-thermal conductivity, neutron scattering, nuclear, electron, and muon spin resonance. The successful applications of the fractional exponential relaxation function to the frequency dependence of the susceptibility and the time dependence of the thermoremanent magnetization are demonstrated. Concerning the possible existence of the phase transition at the susceptibility cusp temperature, we summarize the experimental evidences. 179 references, 31 figures.
Environmental effects on electron spin relaxation in N@C60
John J. L. Morton; Alexei M. Tyryshkin; Arzhang Ardavan; Kyriakos Porfyrakis; S. A. Lyon; G. Andrew D. Briggs
2007-04-15
We examine environmental effects of surrounding nuclear spins on the electron spin relaxation of the N@C60 molecule (which consists of a nitrogen atom at the centre of a fullerene cage). Using dilute solutions of N@C60 in regular and deuterated toluene, we observe and model the effect of translational diffusion of nuclear spins of the solvent molecules on the N@C60 electron spin relaxation times. We also study spin relaxation in frozen solutions of N@C60 in CS2, to which small quantities of a glassing agent, S2Cl2 are added. At low temperatures, spin relaxation is caused by spectral diffusion of surrounding nuclear 35Cl and 37Cl spins in the S2Cl2, but nevertheless, at 20 K, T2 times as long as 0.23 ms are observed.
NASA Astrophysics Data System (ADS)
Jungwirth, Tomas; Wunderlich, Jörg; Olejník, Kamil
2012-05-01
The spin Hall effect is a relativistic spin-orbit coupling phenomenon that can be used to electrically generate or detect spin currents in non-magnetic systems. Here we review the experimental results that, since the first experimental observation of the spin Hall effect less than 10 years ago, have established the basic physical understanding of the phenomenon, and the role that several of the spin Hall devices have had in the demonstration of spintronic functionalities and physical phenomena. We have attempted to organize the experiments in a chronological order, while simultaneously dividing the Review into sections on semiconductor or metal spin Hall devices, and on optical or electrical spin Hall experiments. The spin Hall device studies are placed in a broader context of the field of spin injection, manipulation, and detection in non-magnetic conductors.
Jungwirth, Tomas; Wunderlich, Jörg; Olejník, Kamil
2012-05-01
The spin Hall effect is a relativistic spin-orbit coupling phenomenon that can be used to electrically generate or detect spin currents in non-magnetic systems. Here we review the experimental results that, since the first experimental observation of the spin Hall effect less than 10 years ago, have established the basic physical understanding of the phenomenon, and the role that several of the spin Hall devices have had in the demonstration of spintronic functionalities and physical phenomena. We have attempted to organize the experiments in a chronological order, while simultaneously dividing the Review into sections on semiconductor or metal spin Hall devices, and on optical or electrical spin Hall experiments. The spin Hall device studies are placed in a broader context of the field of spin injection, manipulation, and detection in non-magnetic conductors. PMID:22522638
Spin Rotation of Formalism for Spin Tracking
Luccio,A.
2008-02-01
The problem of which coefficients are adequate to correctly represent the spin rotation in vector spin tracking for polarized proton and deuteron beams in synchrotrons is here re-examined in the light of recent discussions. The main aim of this note is to show where some previous erroneous results originated and how to code spin rotation in a tracking code. Some analysis of a recent experiment is presented that confirm the correctness of the assumptions.