Determination of the asymmetry parameter of EFG tensor from moments of NQR nutation spectra in powders

A novel approach to determination of the asymmetry parameter of the EFG tensor from zero-field nutation NQR spectra of the spinI = 3/2 nuclei in powder samples is reported. The proposed theoretical treatment uses lineshape analysis of the nutation NQR spectra by the method of line moments. The analytical formulas for the lineshape of the powder nutation spectrum are given. It is shown that the asymmetry parameter can be determined from the second moment 〈ω²〉 and the frequency of only one singularity ω₂ of the nutation spectrum. It is also shown that the asymmetry parameter can be determined from the second and fourth spectrum moments alone. The method is successfully demonstrated for the simulated nutation NQR spectra of the spinI = 3/2 nuclei in powder samples.     

Determination of the rotation-diffusion tensor orientation from NMR 13C-1H cross-relaxation rates

Taking advantage of the fact that α,α,2,6 tetrachlorotoluene possesses only one symmetry element (the aromatic ring plane), it proved possible to measure seven different ¹³C-¹H cross-relaxation rates which enable one to determine the three rotation-diffusion coefficients (D_xx , D_yy , D_zz ), in addition to the orientation of the relevant principal axis system (PAS) with respect to a chosen molecular axis system. It turns out that molecular reorientation is strongly anisotropic and that the rotation-diffusion PAS cannot be directly correlated with electrical molecular properties.     

Thermodynamics of solids: Corrections from electron-phonon interactions

Anomalous room-temperature specific heats have been seen experimentally by Knapp and coworkers in highT _c superconductors. The measurements depart from 3N k _B + ₀ T by an amount of order ₀ T. We present a theory for this, based on the fact that electronphonon interactions cause both electron band energies _{k n} and phonon frequencies _{Q µ} to be weakly temperature-dependent. First an observation is made which we call Brook's Theorem: the shiftE _{k n} (Q µ) of the electron energy _{k n} due to adding one phonon in modeQ µ, is identical to the shift _{Q µ} (k n) of the phonon energy _Qµ due to adding one electron in the statek n. Second, we assert that to sufficient accuracy whenT> _D , entropy of the system of interacting electrons and phonons equals the entropy which would be calculated for non-interacting particles, except that theT-dependent energiesE _kn (T) and _{Q µ} (T) should be used. A proof to orderu ² (whereu is phonon displacement amplitude) was given in the thesis of one of us. Third, we use Brook's Theorem to show that the corrections C _el and C _ph to the specific heat due toT-dependence of electron and phonon energies respectively, are identically equal and have order of magnitude ₀ T. All these results are valid in adiabatic approximation to orderu ², and fail at low temperatures where non-adiabatic corrections are large.     

Direct measurement of Raman tensor in solids

It is argued that the measurement of absorption of electromagnetic radiation at optical frequencies induced by an electric field at a different frequency provides a valid and convenient way to obtain an absolute measure of the Raman scattering tensor of optical phonons in solids.     

Baryon-baryon spin-orbit and tensor interactions from quark-exchange kernels

Dibaryon quark-exchange kernels are constructed in explicit analytic form for the tensor and spin-orbit terms of the one-gluon-exchange quark-quark Breit interaction and for spin-orbit terms generated by quark-confinement mechanisms. The spin operators needed are defined through their spin-reduced matrix elements including those needed for interactions coupling NN, NΔ, and ΔΔ channels. Effective baryon-baryon spin-orbit potentials, generated through the Wigner transforms of the quark-exchange kernels with the use of a local momentum approximation, show that the NN spin-orbit interaction derived from the symmetric spin-orbit term of the one-gluon-exchange quark-quark interaction is in general agreement with the short-range part of phenomenological potentials derived from NN scattering. With the inclusion of the antisymmetric spin-orbit one-gluon-exchange terms and spin-orbit terms generated by confining potentials the full triplet-odd NN spin-orbit potential is greatly reduced in the 0.5–1 fm range. The uncertainties associated with spin-orbit terms generated by quark-confinement mechanisms are emphasized. The relative importance of various possible quark-gluon exchange terms is studied and shows that models which neglect some types of exchange terms are open to question. An SU(3)-flavor symmetric model for N-hyperon spin-orbit potentials leads to an NΛ spin-orbit potential only slightly weaker than the NN spin-orbit potential.     

Determination of the chemical shielding tensor orientation from two or one of the three conventional rotations of a single crystal

Chemical shift anisotropy (CSA) is an immensely useful interaction to study the structure, dynamics, and function of a wide variety of chemical and biological molecules. Traditionally the only unambiguous way to determine both the principal values and the orientation of the principal axes of the CSA tensor has been to follow the chemical shift frequency changes as a crystal of known structure is rotated relative to the direction of the external magnetic field. This classic method employs rotations about three mutually orthogonal axes of a single crystal. It is shown here that just two, or one, of the above rotations suffice to determine the CSA tensor orientation by borrowing, the easy to obtain, principal values of CSA from an independent source. Methods for using two rotation patterns or even a single rotation pattern are described and illustrated with known chemical shielding tensors.     

Application of two-dimensional pulsed EPR nutation spectroscopy to a disordered system with largeg-anisotropy

Two-dimensional (2-D) pulsed electron paramagnetic resonance (EPR) nutation spectroscopy is applied to a disordered system with strongly anisotropicg-factors. The analysis and interpretation of a 2-D nutation spectrum is performed by theoretical calculations appropriate for ferric myoglobin cyanide in frozen solution. The observed and calculated 2-D spectra show broad signals which correspond to the principalg-values. The advantage of nutation spectroscopy is demonstrated by measuring theg _x=0.93 signal, which cannot be observed in a conventional field-swept spectrum due to largeg strain broadening. It is shown that the 2-D nutation experiment can be considered as a sort of an angle-selected method but a nutation spectrum gives a powder pattern even for magnetic field settings at extreme field values of an EPR spectrum. This is in contrast to angle-selected electron nuclear double resonance, which gives a single-crystal type spectrum. The advantage of sine Fourier transform (FT) over complex FT is demonstrated for data processing in the nutation domain. Problems of experimental and data-processing procedures are also discussed.     

Determination of the spectral parameters of nuclear quadrupole resonance from nutation spectra of powdered samples

An analytical expression I(ω) is obtained for a normalized function of the shape of an idealized nuclear quandrupole resonance nutation line of a powdered sample for spins I=3/2 (η≠0). Calculations are made of the initial moments <ωⁿ> of the nutation spectrum of the powder in the form of functions of ω₀=γB₁ and the asymmetry parameter η of the electric field gradient tensor. A method is proposed for determining the spectral parameters η and eQq_zz from the experimentally measured values of <ω>, <ω²>, <ω⁴>, and ω_1/2 of the nuclear quadrupole resonance nutation spectrum of the powder. State University, Kaliningrad. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 7, pp. 3–8, July, 1997.     

Material frame representation of equivalent stress tensor for discrete solids

In this paper, we derive expressions for equivalent Cauchy and Piola stress tensors that can be applied to discrete solids and are exact for the case of homogeneous deformation. The main principles used for this derivation are material frame formulation, long wave approximation and decomposition of particle motion into continuum and thermal parts. Equivalent Cauchy and Piola stress tensors for discrete solids are expressed in terms of averaged interparticle distances and forces. No assumptions about interparticle forces are used in the derivation, thereby ensuring our expressions are valid irrespective of the choice of interatomic potential used to model the discrete solid. The derived expressions are used for calculation of the local Cauchy stress in several test problems. The results are compared with prediction of the classical continuum definition (force per unit area) as well as existing discrete formulations (Hardy, Lucy, and Heinz-Paul-Binder stress tensors). It is shown that in the case of homogeneous deformations and finite temperatures the proposed expression leads to the same values of stresses as classical continuum definition. Hardy and Lucy stress tensors give the same result only if the stress is averaged over a sufficiently large volume. Thus, given the lack of sensitivity to averaging volume size, the derived expressions can be used as benchmarks for calculation of stresses in discrete solids.     

Energetic heavy-Ion and proton generation from ultraintense laser-plasma interactions with solids

Heavy ions with energies up to 430+/-40 MeV have been measured from laser-solid interactions at focused intensities of up to 5x10(19) W/cm(2). Observations of proton emission indicate significant structure in the energy spectrum as well as an angular emission profile which varies with energy. Two qualitatively different components of ion emission are observed: (i) a high-energy component which is likely generated by a combination of "Coulomb explosion" and acceleration by the space charge force from hot electrons which escape the plasma, and (ii) a lower-energy component which forms a ring likely created by magnetic fields in the ablated plasma.     

Spin orientation of two-dimensional electrons in electric field

The Rashba Hamiltonian is used to analyze the spin orientation of two-dimensional electrons in electric field. The mean electron spin is found to be oriented in the sample plane perpendicularly to the electric field. In the limit of weak spin-orbit interaction, the spin orientation factor may increase.     

High-pressure EPR studies of intermolecular interactions in solids

High-pressure technique as applied to studies of different problems in solid state physics by EPR spectroscopy is presented. An influence of hydrostatic pressure up to 500 MPa on a weak superexchange coupling between Cu(II) ions in monomeric and dimeric copper(II) compounds is described. Both decrease and increase in the coupling is observed under pressure depending on the crystal and molecular structure but in all cases a dominant contribution is due to a shortening of intermolecular distances, whereas molecular structure and molecular vibrations are not affected. In dimeric Cu(II) compounds with resolved fine structure of EPR spectra zero-field splitting is weakly or not at all dependent on pressure whereas a strong dependence on temperature exists. It is discussed as a result of vibronic ligand behaviour which is not volume dependent. For all cases complementary temperature dependences are presented and moreover a behaviour of EPR linewidth under pressure and temperature is shown. An influence of high pressure on spin exchange reactions in solutions and on the phase memory time in electron spin echo experiments is briefly described.     

Pure-phase two-dimensional niobium-93 nutation spectroscopic study of lead metaniobate and the piezoelectric lead magnesium niobate

An NMR technique to measure pure-phase two-dimensional nutation NMR spectra, that yields higher resolution than traditional nutation experiments is reported. Using this technique 93Nb nutation NMR spectra of PbNb2O6 and the technologically important Pb(Mg1/3Nb2/3)O3 (PMN) have been measured and the quadrupolar coupling constant of the niobium site in PbNb2O6 (C(Q) = 19 +/- 2 MHz) determined. Estimates of the quadrupolar coupling constants for three different resonances associated with different niobium(V) sites in PMN (C(Q) < 1.2 MHz, approximately 17 MHz, and > 62 MHz) are also reported.     

Measurements of energetic proton transport through magnetized plasma from intense laser interactions with solids

Protons with energies up to 18 MeV have been measured from high density laser-plasma interactions at incident laser intensities of 5x10(19) W/cm(2). Up to 10(12) protons with energies greater than 2 MeV were observed to propagate through a 125 &mgr;m thick aluminum target and measurements of their angular deflection were made. It is likely that the protons originate from the front surface of the target and are bent by large magnetic fields which exist in the target interior. To agree with our measurements these fields would be in excess of 30 MG and would be generated by the beam of fast electrons which is also observed.