Electric field gradient in the cubic Ag host generated by different near-neighbour configurations of Pd impurities

The time differential perturbed angular correlation (TDPAC) method was used to investigate the electric field gradients (EFG) generated by different near neighbour (nn) configurations of Pd impurity atoms in Ag cubic host.     

Investigations of “soft-landed” Cd surface atoms via nuclear methods: hyperfine-field sign determination

Using refined preparation techniques, cadmium guest atoms have been positioned at different sites on the surfaces of nickel crystals. The magnetic hyperfine fields and the electric field gradients at the Cd nuclei were measured by time-dependent perturbed angular correlation (TDPAC) spectroscopy of the emitted gamma radiations. By measuring the combined interactions, electric field gradients and magnetic hyperfine fields can be unambiguously attributed to each surface site. The signs of the magnetic hyperfine fields are determined by applying an external magnetic field and choosing the appropriate γ-ray detector configuration. The measured fields correlate with the number of neighbouring host atoms. Band structure calculations confirm this finding and predict magnetic fields for various sp elements from the band structure of the s-like conduction electrons. The quadrupolar interactions are manifestations of the balance in the occupation of the guest p-sublevels. These results provide new information on the structure and formation of electronic configurations of sp elements in different local environments and will contribute to understanding electronic effects on surfaces.     

Hyperfine fields and impurity configurations for indium and palladium in nickel

Hyperfine field distributions and electric field gradients due to impurity configurations in dilute NiPd alloys were measured by time differential perturbed angular correlation techniques, using the nuclear probe¹¹¹Cd(¹¹¹In). The onset of various near neighbour impurity configurations could be followed with increasing Pd impurity concentration from 0.2 to 2.5 at %. An enhancement of their populations due to a strong indium-palladium attraction in nickel was observed. These observations were complemented by measurements at¹⁰⁰Rh (¹⁰⁰Pd) probe nuclei in a Ni_98.5In_1.5 alloy.     

Comparison of ab initio quantum chemistry calculations on matrix isolated molecules with Mössbauer effect studies

All-electron ab initio calculations are performed for free FeX-molecules, X=H, C, N, O, CO, (CO)₂. Geometry optimization is obtained at SCF level and correlation effects on electronic configurations are studied at MP4 level. Calculated electron densities and electric field gradients of FeX are compared with measured isomer shifts and quadrupole splittings of matrix-isolated molecules. The influence of a solid noble-gas matrix on Fe^o, Fe⁺ and FeC is estimated from molecular clusters including neon or argon atoms.     

A comprehensive analysis of the electric field distribution in an electrodynamic screen

The electrodynamic screen, or EDS, has shown promising results in mitigation of dust accumulation losses in solar energy harvesting systems. In this paper, the electric field distributions in two EDS configurations have been thoroughly investigated. The analytical solutions for the electric potential and electric field distribution in the first EDS configuration have been provided and corroborated numerically using finite element analysis (FEA) software. The electrostatic model of second EDS configuration has been developed in the FEA software and its electric field distribution has been analyzed numerically. A comparison has been made between the two configurations regarding dust removal efficiency.     

Local structure in perovskite relaxor ferroelectrics: high-resolution 93Nb 3QMAS NMR

Solid solutions of (1'-x)Pb(Mg(1/3)Nb(2/3))O3xPb(Sc(1/2)Nb(1/2))O3 (PMN/PSN) have been investigated using high-resolution 93Nb 3-quantum magic-angle spinning nuclear magnetic resonance experiments (3QMAS NMR). In previous MAS NMR investigations, the local B-cation ordering in these relaxor ferroelectric solid solutions was quantitatively determined. However, in conventional one-dimensional MAS spectra the effects of chemical shifts and quadrupole interaction are convoluted; this, in addition to the insufficient resolution, precludes reliable extraction of the values of isotropic chemical shift and quadrupole coupling product. In the current 3QMAS investigation, 93Nb spectra are presented for concentrations x=0, 0.1, 0.2, 0.6, 0.7, and 0.9 at high magnetic field (19.6 T) and fast sample spinning speed (35.7 kHz). Seven narrow peaks and two broad components are observed. The unique high-resolution of the two-dimensional 3QMAS spectra enables unambiguous and consistent assignments of spectral intensities to the specific 28 nearest B-site neighbor (nBn) configurations, (NMg, NSc, NNb) where each number ranges from 0 to 6 and their sum is 6. It is now possible to isolate the isotropic chemical shift and quadrupole coupling product and separately determine their values for most of the 28 nBn configurations. The isotropic chemical shift depends linearly on the number of Mg2+ cations in the configuration; delta iso CS=(13.7 +/- 0.1)NMg-970 +/- 0.4 ppm, regardless of the ratio NSc/NNb. For the seven Nb5+-deficient configurations (NMg, 6-NMg, 0) and the pure niobium configuration (0, 0, 6), the quadrupole coupling products (and hence the electric field gradients) are small (PQ approximately 6-12 MHz) and for the remaining configurations containing small, ferroelectric active Nb5+ ions, the quadrupole coupling products are significantly larger (PQ approximately 40 MHz), indicating larger electric field gradients.     

Local structure in perovskite relaxor ferroelectrics: high-resolution Nb 3QMAS NMR

Solid solutions of (1'-x)Pb(Mg(1/3)Nb(2/3))O3xPb(Sc(1/2)Nb(1/2))O3 (PMN/PSN) have been investigated using high-resolution 93Nb 3-quantum magic-angle spinning nuclear magnetic resonance experiments (3QMAS NMR). In previous MAS NMR investigations, the local B-cation ordering in these relaxor ferroelectric solid solutions was quantitatively determined. However, in conventional one-dimensional MAS spectra the effects of chemical shifts and quadrupole interaction are convoluted; this, in addition to the insufficient resolution, precludes reliable extraction of the values of isotropic chemical shift and quadrupole coupling product. In the current 3QMAS investigation, 93Nb spectra are presented for concentrations x=0, 0.1, 0.2, 0.6, 0.7, and 0.9 at high magnetic field (19.6 T) and fast sample spinning speed (35.7 kHz). Seven narrow peaks and two broad components are observed. The unique high-resolution of the two-dimensional 3QMAS spectra enables unambiguous and consistent assignments of spectral intensities to the specific 28 nearest B-site neighbor (nBn) configurations, (NMg, NSc, NNb) where each number ranges from 0 to 6 and their sum is 6. It is now possible to isolate the isotropic chemical shift and quadrupole coupling product and separately determine their values for most of the 28 nBn configurations. The isotropic chemical shift depends linearly on the number of Mg2+ cations in the configuration; delta iso CS=(13.7 +/- 0.1)NMg-970 +/- 0.4 ppm, regardless of the ratio NSc/NNb. For the seven Nb5+-deficient configurations (NMg, 6-NMg, 0) and the pure niobium configuration (0, 0, 6), the quadrupole coupling products (and hence the electric field gradients) are small (PQ approximately 6-12 MHz) and for the remaining configurations containing small, ferroelectric active Nb5+ ions, the quadrupole coupling products are significantly larger (PQ approximately 40 MHz), indicating larger electric field gradients.     

Electric fields of thermal origin in crystallizing polymers

An inhomogeneous temperature field leads to the occurrence of electric fields of thermal origin in crystallizing polymers. Experimental and theoretical values of thermal-origin electric field intensity arising in polyethylene oxide during melting in an inhomogeneous temperature field with the various gradients of temperature are presented.     

Visualized measurement of the electric field in large aperture LiNbO3 crystal by digital holographic interferometry

The electric field distribution in Li Nb O3 crystal under different electrode shape is presented by using the digital holographic interferometry. Three configurations of phase modulator including the rectangular electrode type,single-triangle electrode type, and dual-triangle electrode type are performed in this experiment. The nonuniform electric field distribution in these phase modulators are observed and the electric field increases with voltage increasing. The digital holographic interferometry with high electro-optic effect improves the measurement precision. The digital holographic interferometry provides an effective way for studying the electric field distribution. Such in situ quantitative analysis of electric field distribution is a key to optimizing electrode shape.     

Mössbauer effect and first principle calculations of the electronic structure and hyperfine interaction parameters of Hf2Fe

A detailed theoretical study of the structure, electronic properties and the electric field gradients of the Hf₂Fe intermetallic compound is presented. Using all-electron full-potential linearized augmented plane wave (FP-LAPW) formalism the equilibrium volume, bulk modulus and electric field gradients are calculated. The obtained results are compared with EFG values inferred from measurements performed using Mössbauer spectroscopy and the earlier reported time differential perturbed angular correlation (TDPAC) measurements. The lattice relaxation and the supercell calculations are found to be essential for the correct interpretation of the experimental results.     

Electronic properties of Hf2X intermetallic compounds (X = Al, Si, Ni, Ga and Ge)

Using ¹⁰⁰Pd/¹⁰⁰Rh probes, perturbed angular correlation measurements were performed to study Pd-related defects in Si as a function of dopant concentration and dopant type. Pd-vacancy and Pd-B complexes were identified by their characteristic electric field gradients in highly doped n- and p-type Si, respectively. Both pairs exhibited a T^3/2 temperature dependence of their electric field gradients.     

Electric field gradients near the Fe(110) surface

The electric field gradients measured at the surface of Fe(110) using in situ monolayer probe conversion electron Mössbauer spectroscopy were interpreted using a simple model. The spatial oscillation of the electric field gradient near the surface, which is observed experimentally, is also predicted by the calculations.     

Electric field gradient effects in raman spectroscopy

Raman spectra of materials subject to strong electric field gradients, such as those present near a metal surface, can show significantly altered selection rules. We describe a new mechanism by which the field gradients can produce Raman-like lines. We develop a theoretical model for this "gradient-field Raman" effect, discuss selection rules, and compare to other mechanisms that produce Raman-like lines in the presence of strong field gradients. The mechanism can explain the origin and intensity of some Raman modes observed in SERS and through a near-field optical microscope (NSOM-Raman).     

Distribution of electric field gradients around impurities in aluminum

The electric field gradients caused by a vacancy, Mg, Ga, In, Si, Ge and Sn impurities at several near-neighbor sites in Al hosts have been calculated. The theory takes into account the contribution from the conduction electron screening cloud and the lattice strain caused by the impurities. The perturbed core as well as conduction electron densities around the impurities are calculated selfconsistently using the density functional theory. Assuming that the charge distribution around the impurity is spherically symmetric, an exact expression, valid at all distances, is derived for the conduction electron contribution to the electric field gradient. While this result is substantially different from those using the conventional asymptotic or pre-asymptotic expressions, it is found to be entirely inadequate in explaining the observed asymmetry and magnitude of the electric field gradient distribution in cubic metal alloys. The contribution due to the lattice strain is calculated using the point-ion model and a new analytic form for the elastic strain tensor. The combined strain and charge screening effect provides a satisfactory agreement between calculated and experimental electric field gradients. The difficulties standing in the way of an overall quantitative understanding of the electric field gradient in cubic metal alloys are discussed. The subsequent stages of improvement in both theory and experiment that can result in a better understanding of the problem are pointed out.     

Equilibrium configurations of uncharged conducting liquid jets in a transverse electric field

Solutions for the problem on the equilibrium configurations of uncharged conducting liquid jets in a transverse electric field are obtained. These solutions correspond to finite-amplitude non-axisymmetric azimuthal deformations of the surface of a round jet: the jet is stretched along the field in its cross-section. The range of electric fields is determined for which solutions of the problem exist. If the electric field strength is over some critical value, the electrostatic equations have no solution, and the jet splits. The obtained solutions are qualitatively examined for stability under small azimuthal perturbations.     

Electrical control of valley and spin polarized current and tunneling magnetoresistance in a silicene-based magnetic tunnel junction

We investigate the electronic transport in a silicene-based ferromagnetic metal/ferromagnetic insulator/ferromagnetic metal tunnel junction. The results show that the valley and spin transports are strongly dependent on local application of a vertical electric field and effective magnetization configurations of the ferromagnetic layers. In particular, it is found that the fully valley and spin polarized currents can be realized by tuning the external electric field. Furthermore, we also demonstrate that the tunneling magnetoresistance ratio in such a full magnetic junction of silicene is very sensitive to the electric field modulation.     

Ground state of a simple cubic dipole lattice in an external field

It is shown that there exist stable dipole configurations with orientations along the coordinate axes in the limit of a weak external electric field. The dependence of a dipole structure on the direction and strength of the field is elucidated.     

An anisotropic screening effect in the theory of electric field gradients in dilute alloys of simple metals

The Kohn-Vosko formula for electric field gradients associated with point defects is modified to account for the effect of anisotropic screening charge density on the core enhancement factor.     

Analysis of perturbed angular correlation spectra of metal ions bound to proteins with rotational correlation times in the intermediate region

The formulation by Dattagupta of the strong-collision model, describing the effect on the perturbation function,G ₂(t) by the isotropic tumbling of an electric field gradient, is generalized to electric field gradients with no axial symmetry. The effect on the perturbation function by strong collisions is compared to the effect of rotational diffusion in the adiabatic limit. The comparison is carried out for decays with an intermediate state of spin 5/2 and for non-axially symmetric electric field gradients. It shows that the strong-collision model can be used for interpretation of PAC spectra of molecules with correlation times between the adiabatic and the fast relaxation limits. The strongcollision model is then used to determine the rotational diffusion of the cadmium substituted copper, zinc superoxide dismutase at 3°C and 25°C from^111mCd TDPAC spectra. For these analyses, the model is incorporated into a conventional least-squares fitting routine.     

Influence of the Structure of Field Invariants on the Kinetics of Forming Two-Dimensional Dissipative Atomic Lattices

The properties of field invariants (ellipticity, intensity, total phase, and rotation angles of the polarization ellipse) for 3- and 4-beam 2D configurations are examined. In the sub-Doppler cooling approximation, the structure of the radiation force and diffusion tensor resolved into spatial gradients of field invariants is presented. The atomic dynamics is modeled numerically based on the Langevin equation. The dependence of the spatial structure of field invariants on the spatial structure of the atomic lattice is demonstrated on examples of specific models.