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 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.     

Quenching by electric fields of the luminescence of As2Se3 single crystals

High electric fields reduce the luminescence of As₂Se₃ at 77 K and increase simultaneously the photoconductivity. Comparison of both effects points to excitons as the source for emission of light whereas free carriers contributing to photoconductance recombine non radiatively. The field affects free excitons and their thermalization but does not ionize excitons trapped in radiative centres. At low excitation energy, in the range of indirect transitions, the field quenching of luminescence obeys a Poole-Frenkel behaviour. Such interpretation yields an exciton binding energy of 50 meV. The quantum efficiency of luminescence decreases to higher photon energy. Part of this decrease is related to an increase of the photoconductivity.     

Temperature dependence of the electric field gradient at Ta nuclei in hafnium pyrovanadate

The electric field gradient EFG in hafnium pyrovanadate has been measured at Hf sites at different temperatures with the time-differential perturbed angular correlation method. The results obtained show the existence of a phase transition around 110°C.     

The perturbation of a γγ directional correlation of75As in gaseous H2 75Se sources

Using gaseous H₂ ⁷⁵Se sources the γγ directional correlation of the 121.0–279.5 keV γγ cascade of⁷⁵As was measured as a function of pressure. The attenuation coefficientG ₂ varied between 0.67 and 0.96 for pressures between 0.1 and 200 Torr. Since the perturbation of the directional correlation is caused by hyperfine interaction of the highly charged ion formed after electron capture, the pressure dependence may be understood as being mainly due to changes of the charge states during collisions with neutral molecules. A simple model is proposed yielding a reasonable fit to the experimental data.     

Pure nuclear quadrupole resonance determination of the electric field gradient asymmetry for broad lines

We present an angle dependent nuclear quadrupole resonance (ADNQR) method to determine the electric field gradient asymmetry parameter eta in systems where the resonance line is so broad that the radio frequency field can excite only a portion of the nuclear spins. In this situation, the recently developed spectroscopic methods are not applicable. ADNQR is useful for single crystals and oriented powders, and, for small eta determines eta4. Therefore, it can be used to evaluate fluctuations in eta due to inhomogeneities. We demonstrate the application of ADNQR experimentally to oriented superconducting YBa2Cu3O7 powder.     

Temperature dependence of electric field gradient in TbCoO3

The temperature dependence of the electric field gradient (efg) in TbCoO₃ perovskite was measured by perturbed angular correlation (PAC) technique using ¹¹¹Cd and¹⁸¹Ta nuclear probes. The radioactive parent nuclei ¹¹¹In and ¹⁸¹Hf were introduced into the compound through a chemical process during sample preparation. The electric quadrupole interactions at ¹¹¹Cd show two different sites, assigned to probe substituting Tb and Co atoms. The temperature dependence of quadrupole frequencies show sharp discontinuities which have been interpreted as thermally activated spin state transitions from low-spin ground state configuration to the intermediate-spin state and from intermediate-spin to high-spin state of Co^3?+? ion. For ¹⁸¹Ta only one interaction was observed, which was assigned to probe at Co site. Indication of a Jahn–Teller distortion, which stabilizes the intermediate-spin state with orbital ordering, is also pointed out. No magnetic order was observed till 77 K.     

Effect of electric field gradient sign on iron mossbauer spectra in amorphous materials

This paper establishes the fact that a significant asymmetry develops in ⁵⁷Fe Mössbauer spectra at high magnetic fields in amorphous materials containing iron if the electric field gradient (EFG) distribution at the iron sites is dominantly of one sign. The manner in which the symmetric quadrupole doublet develops asymmetrically into the familiar six line Zeeman pattern with increasing (spontaneous or applied) field is computed numerically for general fields, and analytically for high fields, using a broad (amorphouslike) model EFG distribution. It follows that information concerning the dominant sign (or alternatively the absence of a dominant sign) of the EFG can be obtained from iron Mössbauer spectra. Such information concerning EFG sign is potentially important evidence in a probe of the nature of the local packing (i.e. random packing vis-a-vis local crystalline unit-cell distortion) in many amorphous magnetic materials.     

EXAS study of the promising semiconductor material Ga2Se3

Ga₂Se₃, a promising material for absorbing layers of high-efficient solar cells, is studied by EXAFS spectroscopy. Structural data (e.g., interatomic distances and coordination numbers) are obtained for the local environment of gallium and selenium, and are compared to modeling calculations performed using FEFF-8 software.     

Influence of a strong microwave electric field on the spectrum and damping of magnetostatic waves in the magnetic semiconductor p-HgCr2Se4

Variations in the spectrum and damping of magnetostatic waves are observed in p-HgCr₂Se₄ irradiated by a strong microwave electric field. The variations depend on the magnetostatic wavenumber and the electrical conductivity of the crystal. The results are discussed in the model of magnon heating by high-energy carriers. Fiz. Tverd. Tela (St. Petersburg) 40, 505–507 (March 1998)     

Temperature dependence of the electric field gradient in CdSe and HfO2

The time differential perturbed angular correlation technique was applied to study the electric field gradient in the semiconductor CdSe and the insulator HfO₂ at different temperatures. Whereas the semiconductor CdSe shows an increasing quadrupole coupling constant with increasing temperature, the insulator HfO₂ exhibits no temperature dependence of the electric field gradient over the whole temperature range investigated.     

Temperature dependence of the electric field gradient in AgIn2 intermetallic compound

The temperature dependence of the electric field gradient in the AgIn₂ intermetallic compound was measured using the TDPAC technique. From 80 K up to 415 K a linear dependence was found. Below 80 K a change in this behaviour was observed. This and previous results are interpreted as related to optical-phonon modes in intermetallic compounds.     

Determination of the orientation of the electric field gradient at the Cu(1) site from the Mössbauer spectra of textured pellets made of YBa2Cu3O7−δ superconductor

A textured pellet of YBa₂Cu₃O_7?δ was prepared and doped with⁵⁷Co. After subsequent heat treatments the cobalt was found at the two copper sites. The degree of alignment of individual crystallites (about 40%) was determined from the Mössbauer spectrum by using a method developed by the authors [1]. The same method showed that the most characteristic doublet component of such spectra (δ=0.08 mm/s; |ΔE _Q|=1.96 mm/s) is associated with a site, most probably a Cu(1) site, where the EFG is parallel to thec direction of the unit cell. The sign ofV _zz turned out to be negative, giving a negative quadrupole splitting (ΔE _Q=?1.96 mm/s) for that component.     

Calculation of the electric field gradient tensor from energy band structures

The electric field gradient tensor (EFG) can be measured accurately by various experimental techniques. The theoretical understanding, however, was restricted to point charge models, Sternheimer antishielding factors and model calculations for a restricted number of compounds. We have developed a method which obtains the EFG from a full potential linearized augmented plane wave (LAPW) energy band structure calculation. Starting from the total crystal charge density (including the core electrons) the EFG is obtained numerically without further approximations. We have applied our method successfully to all hep metals up to Cd, to semiconductors, and to insulators such as lithiumnitride or cuprite. Good agreement with experiment is found and we predict interesting changes in the sign of the EFG in the 3d and 4d transition metal series. The aspherical distribution of the valence electrons determines 80 or 90% of the total EFG and the influence of the core electrons is small. Even for the 3d and 4d metals the asphericity of the valence p electrons dominates over the d contribution to the EFG due to the different radial behavior of p and d wave functions.     

Temperature dependence of the electric field gradient in the AgIn2 intermetallic compound

The temperature dependence of the electric field gradient in the AgIn₂ intermetallic compound was measured using the TDPA correlation technique. From 80 K up to 415 K the electric field gradient follows a linear temperature dependence. Below 80 K a change in this behaviour is observed.Work supported in part by FINEP and CNPq.     

2D ESR image reconstruction from 1D projections using the modulated field gradient method

A method for the reconstruction of 2D ESR images from 1 D projections which is based on the modulated field gradient method has been explored. The 2D distribution of spin-labeled stearic acid in oriented and unoriented dimyristoyl phosphatidylcholine multilayers on a flat quartz support was determined. Such samples are potentially useful for the determination of lipid lateral diffusion in oriented multilayers by monitoring the spreading of a sharp concentration profile in one or two dimensions. The limitations of the method are discussed and the improvements which are needed for dynamic measurements are outlined.     

Pressure dependence of the electric field gradient in the AgIn2 intermetallic compound

The pressure dependence of the electric field gradient (EFG) in the AgIn₂ intermetallic compound was measured from zero up to 35 kbar using the time differential perturbed angular correlation technique in¹¹¹Cd. The unit cell volume and thec/a ratio variations with pressure were measured up to 80 kbar. The temperature dependence of the cell parameters was also measured, in a range varying from 300 K up to 458 K. The relationship of these results showed that the contribution of the lattice thermal expansion to the EFG variations is about 1/3, a small but not negligible part. The estimated EFG volumetric dependence is at variance with the systematic results found in pure metals. Work supported in part by FINEP and CNPq (Brasil).     

Effect of the electric field on electron chemiemission from a semiconductor surface

It is found that, if the energy being released due to the formation of product molecules in the course of a heterogeneous reaction is lower than the electron work function, the current density of electron chemiemission from the surface of any semiconductor exponentially depends on electric field strength E,j = Cexp(ΒE), where C and Β are coefficients. Theoretical results qualitatively agree with experimental data obtained for the heterogeneous recombination of hydrogen atoms on the silicon surface in weak electric fields (0<E<5 x 10⁶V/m).     

The electric field gradient of111Cd in an α-Al2O3 single crystal

Radioactive¹¹¹In⁺ ions were implanted into an α-Al₂O₃ single crystal. The hyperfine parameters of¹¹¹Cd at substitutional Al lattice sites were identified by measuring the perturbed angular correlation for different sample orientations. The electric field gradientV _zz =1.04(17)·10²²V/m² was obtained from the quadrupole coupling constant. This result is compared with the efg values of²⁷Al in α-alumina and¹¹¹Cd in α-Fe₂O₃, which also has the corundum structure. Two additional fractions with broad frequency distributions were observed, one of which is attributed to¹¹¹Cd atoms in a strongly distorted Al₂O₃-lattice.