Nuclear Magnetic Moments Research Articles

The nuclear magnetic moment of 208Bi and its relevance for a test of bound-state strong-field QED

The hyperfine structure splitting in the 6p3S3/24→6p27sP1/24 transition at 307 nm in atomic 208Bi was measured with collinear laser spectroscopy at ISOLDE, CERN. The hyperfine A and B factors of both states were determined with an order of magnitude improved accuracy. Based on these measurements, theoretical input for the hyperfine structure anomaly, and results from hyperfine measurements on hydrogen-like and lithium-like 209Bi80+,82+, the nuclear magnetic moment of 208Bi has been determined to μ(Bi208)=+4.570(10)μN. Using this value, the transition energy of the ground-state hyperfine splitting in hydrogen-like and lithium-like 208Bi80+,82+ and their specific difference of −67.491(5)(148) meV are predicted. This provides a means for an experimental confirmation of the cancellation of nuclear structure effects in the specific difference in order to exclude such contributions as the cause of the hyperfine puzzle, the recently reported 7-σ discrepancy between experiment and bound-state strong-field QED calculations of the specific difference in the hyperfine structure splitting of 209Bi80+,82+.

Fingerprints of single nuclear spin energy levels using STM – ENDOR

We performed STM-ENDOR experiments where the intensity of one of the hyperfine components detected in ESR-STM is recorded while an rf power is irradiated into the tunneling junction and its frequency is swept. When the latter frequency is near a nuclear transition a dip in ESR-STM signal is observed. This experiment was performed in three different systems: near surface SiC vacancies where the electron spin is coupled to a next nearest neighbor 29Si nucleus; Cu deposited on Si(111)7x7 surface, where the unpaired electron of the Cu atom is coupled to the Cu nucleus (63Cu, 65Cu) and on Tempo molecules adsorbed on Au(111), where the unpaired electron is coupled to a Nitrogen nucleus (14N). While some of the hyperfine values are unresolved in the ESR-STM data due to linewidth we find that they are accurately determined in the STM-ENDOR data including those from remote nuclei, which are not detected in the ESR-STM spectrum. Furthermore, STM-ENDOR can measure single nuclear Zeeman frequencies, distinguish between isotopes through their different nuclear magnetic moments and detect quadrupole spectra. We also develop and solve a Bloch type equation for the coupled electron-nuclear system that facilitates interpretation of the data. The improved spectral resolution of STM - ENDOR opens many possibilities for nanometric scale chemical analysis.

The Radiofrequency NMR Spectra of Lithium Salts in Water; Reevaluation of Nuclear Magnetic Moments for 6Li and 7Li Nuclei

LiCl and LiNO3 water solutions in the presence of small amounts of 3-helium have been investigated by means of multinuclear resonance spectroscopy. The resulting concentration dependences of the 3He, 6,7Li+, 14NO3− and 35Cl− resonance radiofrequencies are reported in the infinite limit. This data along with new theoretical corrections of shielding lithium ions was analyzed by a known NMR relationship method. Consequently, the nuclear magnetic moments of 6Li and 7Li were established against that of the helium-3 dipole moment: μ(6Li) = +0.8220457(50)μN and μ(7Li) = +3.256418(20)μN. The new results were shown to be very close to the previously obtained values of the (ABMR) atomic beam magnetic resonance method. This experiment proves that our helium method is well suited for establishing dipole moments from NMR measurements performed in water solutions. This technique is especially valuable when gaseous substances of the needed element are not available. All shielding constants of species present in water solutions are consistent with new nuclear magnetic moments and these taken as a reference. Both techniques—NMR and ABMR—give practically the same results provided that all shielding corrections are properly made.

The Gogny-HFB+QRPA dipole strength function and its application to radiative neutron capture cross section

Valuable theoretical predictions of nuclear dipole excitations in the whole chart are of great interest for different nuclear applications, including in particular nuclear astrophysics. Here we extend our large-scale calculations of the E1 and M1 absorption γ-ray strength function obtained in the framework of the axially-symmetric deformed quasiparticle random phase approximation (QRPA) based on the finite-range D1M Gogny force to the determination of the de-excitation strength function. To do so, shell-model calculations of the de-excitation dipole strength function as well as experimental data are considered to provide insight in the low-energy limit and to complement the QRPA estimate phenomenologically. We compare our final prediction of the E1 and M1 strengths with available experimental data at low energies and show that a relatively good agreement can be obtained. Its impact on the average radiative width as well as radiative neutron capture cross section is discussed.

Hysteresis in a bimetallic holmium complex: A synergy between electronic and nuclear magnetic interactions

We report a bimetallic holmium(III) complex showing a S-shaped magnetic hysteresis at low temperature. The complex is investigated by x-ray crystallography, magnetometry, single crystal microsquid measurements, and first-principles calculations. A model Hamiltonian including electronic and nuclear magnetic moments is used to fit all experimental data. We conclude that the Ho(III) may be described as non-Kramers doublets with respective gaps of ${\mathrm{\ensuremath{\Delta}}}_{A}=0.8$ and ${\mathrm{\ensuremath{\Delta}}}_{B}=10 {\mathrm{cm}}^{\ensuremath{-}1}$ and that there is a small ferromagnetic coupling of $J=1 {\mathrm{cm}}^{\ensuremath{-}1}$ (${\stackrel{\ifmmode \hat{}\else \^{}\fi{}}{\mathcal{H}}}_{S}=\ensuremath{-}J{\mathbit{S}}_{A}\ifmmode\cdot\else\textperiodcentered\fi{}{\mathbit{S}}_{B}$). As in previous works, the hysteresis arise from the hyperfine structure of the Ho(III) ions. The S-shaped form of the hysteresis reflects the avoided crossing of the electronic states in the non-Kramers doublets.

Nuclear dipole polarizability from mean-field modeling constrained by chiral effective field theory

We construct a new Skyrme interaction Skχm⁎ by fitting the equation of state and nucleon effective masses in asymmetric nuclear matter from chiral two- and three-body forces as well as the binding energies of finite nuclei. Employing this interaction to study the electric dipole polarizabilities of 48Ca, 68Ni, 120Sn, and 208Pb in the random-phase approximation, we find that the theoretical predictions are in good agreement with experimentally measured values without additional fine tuning of the Skyrme interaction, thus confirming the usefulness of the new Skyrme interaction in studying the properties of nuclei. We further use this interaction to study the neutron skin thicknesses of 48Ca and 208Pb, and they are found to be consistent with the experimental data.

183W nuclear dipole moment determined by gas-phase NMR spectroscopy

The magnetic dipole moment of the tungsten-183 nucleus, µ(183W), is determined from measurements of gas-phase 183W nuclear magnetic resonance of tungsten hexafluoride dissolved in CF4. The tungsten-183 resonance frequency combined with recently reported computations of the magnetic shielding of the 183W nucleus in WF6 (Ruud et al., 2014) yields μ(183W) = 0.116953(18) μN. Moreover, it is found that the gas-to-liquid shifts of nuclear shielding for WF6 are ΔσGL(19F) = −6.9 ppm and ΔσGL(183W) = −18.4 ppm. The spin–spin coupling 1J(183W,19F) is 43.75(24) Hz for liquid WF6.

Magnetosensitivity of bacteria E. coli: Magnetic isotope and magnetic field effects.

The biological effects of a 25 Mg nuclear spin and weak magnetic fields have been found and studied by using bacterial cells of Escherichia coli (E. coli) grown on standard M9 nutrient media with different isotopes of magnesium: 24 Mg, 25 Mg, 26 Mg, and a natural mixture of Mg isotopes. Among these isotopes only 25 Mg has a nuclear spin I = 5/2 and nuclear magnetic moment which have been known to affect enzymatic processes in vitro due to hyperfine interactions with uncoupled electrons of substrates. Other non-magnetic magnesium isotopes, 24 Mg and 26 Mg, have neither a nuclear spin (I = 0) nor a nuclear magnetic moment. Bacterial cells grown on 25 Mg-media and enriched with this isotope manifest a higher growth rate and colony-forming units (CFU) compared with cells grown on media containing nonmagnetic 24 Mg and 26 Mg isotopes. Magnetic field dependencies of CFU cells enriched with different magnesium isotopes have been obtained. The observed isotope-dependent differences are explained by intracellular enzymatic ion-radical reactions which are magnetic field and nuclear spin sensitive. Enzymatic synthesis of ATP is considered as the most probable magnetosensitive biochemical process in vivo as far as effectiveness of ATP production is concerned; it determines the viability of cells and was shown in vitro as a nuclear spin-dependent reaction. Bioelectromagnetics. 38:581-591, 2017. © 2017 Wiley Periodicals, Inc.

Enzymatic mechanisms of biological magnetic sensitivity.

Primary biological magnetoreceptors in living organisms is one of the main research problems in magnetobiology. Intracellular enzymatic reactions accompanied by electron transfer have been shown to be receptors of magnetic fields, and spin-dependent ion-radical processes can be a universal mechanism of biological magnetosensitivity. Magnetic interactions in intermediate ion-radical pairs, such as Zeeman and hyperfine (HFI) interactions, in accordance with proposed strict quantum mechanical theory, can determine magnetic-field dependencies of reactions that produce biologically important molecules needed for cell growth. Hyperfine interactions of electrons with nuclear magnetic moments of magnetic isotopes can explain the most important part of biomagnetic sensitivities in a weak magnetic field comparable to the Earth's magnetic field. The theoretical results mean that magnetic-field dependencies of enzymatic reaction rates in a weak magnetic field that can be independent of HFI constant a, if H << a, and are determined by the rate constant of chemical transformations in the enzyme active site. Both Zeeman and HFI interactions predict strong magnetic-field dependence in weak magnetic fields and magnetic-field independence of enzymatic reaction rate constants in strong magnetic fields. The theoretical results can explain the magnetic sensitivity of E. coli cell and demonstrate that intracellular enzymatic reactions are primary magnetoreceptors in living organisms. Bioelectromagnetics. 38:511-521, 2017. © 2017 Wiley Periodicals, Inc.

Evolution of nuclear structure in neutron-rich odd-Zn isotopes and isomers

Collinear laser spectroscopy was performed on Zn (Z=30) isotopes at ISOLDE, CERN. The study of hyperfine spectra of nuclei across the Zn isotopic chain, N=33–49, allowed the measurement of nuclear spins for the ground and isomeric states in odd-A neutron-rich nuclei up to N=50. Exactly one long-lived (>10 ms) isomeric state has been established in each 69–79Zn isotope. The nuclear magnetic dipole moments and spectroscopic quadrupole moments are well reproduced by large-scale shell–model calculations in the f5pg9 and fpg9d5 model spaces, thus establishing the dominant term in their wave function. The magnetic moment of the intruder Iπ=1/2+ isomer in 79Zn is reproduced only if the νs1/2 orbital is added to the valence space, as realized in the recently developed PFSDG-U interaction. The spin and moments of the low-lying isomeric state in 73Zn suggest a strong onset of deformation at N=43, while the progression towards 79Zn points to the stability of the Z=28 and N=50 shell gaps, supporting the magicity of 78Ni.

Theoretical study of the odd–even-order harmonic generation for asymmetric ions in non-Born–Oppenheimer approximation**Project supported by the National Natural Science Foundation of China (Grant Nos. 11404153, 11135002, 11475076, and 11405077) and the Fundamental Research Funds for the Central Universities of China (Grants Nos. lzujbky-2016-29, lzujbky-2016-31, and lzujbky-2016-209).

We calculated the harmonic spectra generated from the asymmetric molecules of HD and HeH. It is found that HDproduces only odd harmonics, while HeH produces both odd and even harmonics. Further analysis reveals that for both HD and HeH, the nuclear dipole acceleration can generate even harmonics, but it is three orders of magnitude lower than that of the electron. Hence, the electronic dipole acceleration dominates the harmonic generation. For HD, the electronic dipole acceleration only contributes to the generation of odd harmonics, but for HeH it contributes to the generation of both odd and even harmonics. Besides, one concept of the broken degree of system-symmetry is proposed to explain the different odd-even property between the harmonic spectra of HD and HeH.

One-electron atoms in screened modified gravity

In a large class of scalar-tensor theories that are potential candidates for dark energy, a nonminimal coupling between the scalar and the photon is possible. The presence of such an interaction grants us the exciting prospect of directly observing dark sector phenomenology in the electromagnetic spectrum. This paper investigates the behavior of one-electron atoms in this class of modified gravity models, exploring their viability as probes of deviations from general relativity in both laboratory and astrophysical settings. Building heavily on earlier studies, our main contribution is threefold: A thorough analysis finds additional fine-structure corrections previously unaccounted for, which now predict a contribution to the Lamb shift that is larger by nearly 4 orders of magnitude. In addition, they also predict a scalar-mediated photon-photon interaction, which now constrains the scalar's coupling to the photon independently of the matter coupling. This was not previously possible with atomic precision tests. Our updated constraints are $\log_{10}\beta_m \lesssim 13.4$ and $\log_{10}\beta_\gamma \lesssim 19.0$ for the matter and photon coupling, respectively, although these remain uncompetitive with bounds from other experiments. Second, we include the effects of the nuclear magnetic moment, allowing for the study of hyperfine structure and the 21 cm line, which hitherto have been unexplored in this context. Finally, we also examine how a background scalar leads to equivalence principle violations.

Hyperfine induced effects on the angular distribution of the dielectronic hypersatellite line

We investigate the dielectronic recombination (DR) of an electron and a highly-charged ion with non-zero nuclear spin. We assume that the incident electron is captured into doubly-excited 1s2κκ′J=0,1,2 levels of Be-like ions just above of its autoionization threshold. The angular distribution of the subsequent radiative emission is investigated especially for its dependence upon the nuclear spin and the nuclear magnetic moment. While the hyperfine and even the fine-structure of the ions cannot be resolved in typical DR experiments, we found the photon angular distribution, following the decay of the 1s22p3/2nsJ=1,2 DR resonance very sensitive to the nuclear parameters.

Visualization of Electron Paramagnetic Resonance Hyperfine Structure Coupling Pathways

The close relation between the EPR hyperfine coupling constant and NMR indirect spin-spin coupling constant is well-known. For example, the Karplus-type dependence of hyperfine constants on the dihedral angle, originally proposed for NMR spin-spin coupling, is widely used in pNMR studies. In the present work we propose a new tool for visualization of hyperfine coupling pathways based on our experience with visualization of NMR indirect spin-spin couplings. The plotted 3D-function is the difference between the total electron densities when the magnetic moment of the nucleus of interest changes its sign and as such is an observable from the physical point of view. It has been shown that it is proportional to the linear response of the spin density to the nuclear spin (i.e., magnetic moment). In contrast to the widely used visualization of spin density, our new approach depicts only the part of the electron cloud of a molecule that is affected by the interaction of the unpaired electron(s) with the desired nuclear magnetic moment. Because visualization of NMR spin-spin couplings and hyperfine interaction is based on the same ideas and done using similar techniques, it allows a direct comparison of the corresponding pathways for the two phenomena so as to analyze their resemblance and/or dissimilarity.

Calculations of atomic magnetic nuclear shielding constants based on the two-component normalized elimination of the small component method.

A new method for calculating nuclear magnetic resonance shielding constants of relativistic atoms based on the two-component (2c), spin-orbit coupling including Dirac-exact NESC (Normalized Elimination of the Small Component) approach is developed where each term of the diamagnetic and paramagnetic contribution to the isotropic shielding constant σiso is expressed in terms of analytical energy derivatives with regard to the magnetic field B and the nuclear magnetic moment 𝝁. The picture change caused by renormalization of the wave function is correctly described. 2c-NESC/HF (Hartree-Fock) results for the σiso values of 13 atoms with a closed shell ground state reveal a deviation from 4c-DHF (Dirac-HF) values by 0.01%-0.76%. Since the 2-electron part is effectively calculated using a modified screened nuclear shielding approach, the calculation is efficient and based on a series of matrix manipulations scaling with (2M)3 (M: number of basis functions).

Electromagnetic computation and modeling in MRI.

Electromagnetic (EM) computational modeling is used extensively during the development of a Magnetic Resonance Imaging (MRI) scanner, its installation, and use. MRI, which relies on interactions between nuclear magnetic moments and the applied magnetic fields, uses a range of EM tools to optimize all of the magnetic fields required to produce the image. The main field magnet is designed to exacting specifications but challenges in manufacturing, installation, and use require additional tools to maintain target operational performance. The gradient magnetic fields, which provide the primary signal localization mechanism, are designed under another set of complex design trade-offs which include conflicting imaging performance specifications and patient physiology. Gradients are largely impervious to external influences, but are also used to enhance main field operational performance. The radiofrequency (RF) magnetic fields, which are used to elicit the signals fundamental to the MR image, are a challenge to optimize for a host of reasons that include patient safety, image quality, cost optimization, and secondary signal localization capabilities. This review outlines these issues and the EM modeling used to optimize MRI system performance.

The Role of the Hyperfine Structure for the Determination of Improved Level Energies of Ta II, Pr II and La II

For the determination of improved energy levels of ionic spectra of elements with large values of nuclear magnetic dipole moment (and eventually large values of nuclear quadrupole moments), it is necessary to determine the center of gravity of spectral lines from resolved hyperfine structure patterns appearing in highly resolved spectra. This is demonstrated on spectral lines of Ta II, Pr II and La II. Blend situations (different transitions with accidentally nearly the same wave number difference between the combining levels) must also be considered.

Enhanced effect of CP -violating nuclear magnetic quadrupole moment in a HfF+ molecule

The ${\mathrm{HfF}}^{+}$ cation is a very promising system to use in the search for the electron electric dipole moment (EDM), and a corresponding experiment is carried out by JILA group [H. Loh, K. C. Cossel, M. C. Grau, K.-K. Ni, E. R. Meyer, J. L. Bohn, J. Ye, and E. A. Cornell, Science 342, 1220 (2013); K.-K. Ni, H. Loh, M. Grau, K. C. Cossel, J. Ye, and E. A. Cornell, J. Mol. Spectrosc. 300, 12 (2014). Here we theoretically investigate the cation to search for another effect which violates time-reversal ($T$) and spatial parity ($P$) symmetries---the nuclear magnetic quadrupole moment (MQM) interaction with electrons. We report an accurate ab initio relativistic electronic structure calculations of the molecular parameter ${W}_{M}=0.494 \frac{{10}^{33}\phantom{\rule{0.16em}{0ex}}\mathrm{Hz}}{e\phantom{\rule{0.16em}{0ex}}{\mathrm{cm}}^{2}}$ that is required to interpret the experimental data in terms of the MQM of the Hf nucleus. For this we have implemented and applied the combined Dirac-Coulomb(-Gaunt) and relativistic effective core potential approaches to treat electron correlation effects from all of the electrons and to take into account high-order correlation effects using the coupled cluster method with single, double, triple and noniterative quadruple cluster amplitudes. We discuss interpretation of the MQM effect in terms of the strength constants of $T,P$-odd nuclear forces, proton and neutron EDMs, the QCD parameter $\ensuremath{\theta}$, and quark chromo-EDMs.

Quantum metrology with a single spin- 32 defect in silicon carbide

We show that implementations for quantum sensing with exceptional sensitivity and spatial resolution can be made using spin-3/2 semiconductor defect states. We illustrate this using the silicon monovacancy deep center in hexagonal SiC based on our rigorous derivation of this defect's ground state and of its electronic and optical properties. For a single $\textrm{V}_{\textrm{Si}}^-$ defect, we obtain magnetic field sensitivities capable of detecting individual nuclear magnetic moments. We also show that its zero-field splitting has an exceptional strain and temperature sensitivity within the technologically desirable near-infrared window of biological systems. The concepts and sensing schemes developed here are applicable to other point defects with half spin multiplet ($S\geq 3/2$) configuration.

Lattice QCD spectroscopy for hadronic CP violation

The interpretation of nuclear electric dipole moment (EDM) experiments is clouded by large theoretical uncertainties associated with nonperturbative matrix elements. In various beyond-the-Standard Model scenarios nuclear and diamagnetic atomic EDMs are expected to be dominated by CP-violating pion-nucleon interactions that arise from quark chromo-electric dipole moments. The corresponding CP-violating pion-nucleon coupling strengths are, however, poorly known. In this work we propose a strategy to calculate these couplings by using spectroscopic lattice QCD techniques. Instead of directly calculating the pion-nucleon coupling constants, a challenging task, we use chiral symmetry relations that link the pion-nucleon couplings to nucleon sigma terms and mass splittings that are significantly easier to calculate. In this work, we show that these relations are reliable up to next-to-next-to-leading order in the chiral expansion in both SU(2) and SU(3) chiral perturbation theory. We conclude with a brief discussion about practical details regarding the required lattice QCD calculations and the phenomenological impact of an improved understanding of CP-violating matrix elements.