Lattice Location of 181Ta and 111Cd Probes in Hafnium and Zirconium Aluminides Studied by Perturbed Angular Correlation

The perturbed angular correlation technique was applied to study the lattice location of the ¹¹¹In/¹¹¹Cd and ¹⁸¹Hf/¹⁸¹Ta probe atoms in hafnium and zirconium aluminides. Compounds of different stoichiometries and crystallographic structures were the subject of investigation. According to the expectation, in all investigated compounds ¹⁸¹Hf/¹⁸¹Ta probes occupy the Hf(Zr) crystallographic sites. The ¹¹¹In/¹¹¹Cd probes are placed at the sites of all constituent metals—aluminum, hafnium and zirconium, depending on the crystallographic structure of compound, concentration of the constituent metals and temperature of the sample.     

Theoretical investigation of Mössbauer hyperfine interactions in ordered FeNi and disordered Fe–Ni alloys

Electronic structure spin-polarized calculations were performed for 79-atoms embedded clusters representing the ordered intermetallic compound FeNi, the fcc Fe-rich disordered alloy Fe₈₅Ni₁₅ in an antiferromagnetic (AFM) configuration, and the ferromagnetic (FM) disordered alloy Fe₅₀Ni₅₀. The spin-polarized discrete variational method (DVM) in Density Functional theory was employed. Spin magnetic moments, as well as the ⁵⁷Fe Mössbauer hyperfine parameters isomer shift and magnetic hyperfine fields, were obtained from the calculations. For FM Fe₅₀Ni₅₀, the effect of pressure on the hyperfine field and on the isomer shift was investigated, for three different local atomic configurations surrounding the ⁵⁷Fe probe atom. In the case of the isomer shift, the calculated values were compared to reported experimental data.     

Mössbauer study of the invar Fe–Ni and Fe–Ni–C alloys in magnetic field

F.C.C. Fe–30.3%Ni and Fe–30.5%Ni–1.5%C (wt.%) alloys were studied by means of Mössbauer spectroscopy in external magnetic field B _ext?=?2.5, 5, 7 T parallel to the gamma-beam. It is shown that distribution of effective magnetic field in the alloys is broad and that carbon expands the range of B _eff. The external magnetic field increases B _eff in the Fe–Ni alloy and decreases it more evidently in the Fe–Ni–C alloy. Antiferromagnetic spin coupling along the ferromagnetic component is proposed to explain data.     

Mössbauer Investigation of Electrodeposited Sn–Zn,Sn–Cr,Sn–Cr–Zn and Fe–Ni–Cr Coatings

⁵⁷Fe and ¹¹⁹Sn CEMS, XRD and electrochemical measurements were used to investigate the effect of the preparation parameters and the components on the structure and phase composition of electrodeposited Fe-Ni-Cr alloys in connection with their corrosion behavior. XRD of the electrodeposits reflect an amorphous-like character. ⁵⁷Fe CEM spectra of Fe-Ni-Cr electrodeposited samples, prepared in a continuous flow plating plastic circulation cell with variation of current density, electrolyte velocity and temperature, can be evaluated as a doublet associated with a highly disordered paramagnetic solid solution phase. This phase was identified earlier in Fe-Ni-Cr electrodeposits that were prepared by another plating method and contained both ferromagnetic and paramagnetic metastable phases [1]. This is the first time that we have succeeded to prepare Fe-Ni-Cr alloys containing only the metastable paramagnetic phase. The effect of the plating parameters on the structure is also analysed by the quadrupole splitting distribution method. ¹¹⁹Sn CEM spectra of all Sn-containing plated alloys show a broad line envelop which can be decomposed at least into two components. One can be associated with β-tin. The other one can be assigned to an alloy phase. The structure and distribution of microenvironments of these phases depends on the plating parameters especially on the parameters of the reverse pulse applied. This revised version was published online in August 2006 with corrections to the Cover Date.     

Hyperfine interactions, structure and magnetic properties of nanocrystalline Co–Fe–Ni alloys prepared by mechanical alloying

Mechanical alloying method was used to prepare nanocrystalline Co₅₀Fe₄₀Ni₁₀, Co₅₂Fe₂₆Ni₂₂ and Co₆₅Fe₂₃Ni₁₂ alloys. X-ray diffraction proved that during milling Co–Fe-based solid solution with b.c.c. lattice was formed in the case of Co₅₀Fe₄₀Ni₁₀, while for Co₅₂Fe₂₆Ni₂₂ and Co₆₅Fe₂₃Ni₁₂ compositions Co–Ni-based solid solutions with f.c.c. lattice were obtained. Mössbauer spectroscopy revealed similar values of the average hyperfine magnetic fields for all alloys, e.g. 32.17, 32.24 and 31.21 T for Co₅₀Fe₄₀Ni₁₀, Co₅₂Fe₂₆Ni₂₂ and Co₆₅Fe₂₃Ni₁₂ alloys, respectively. Magnetization measurements allowed to determine the effective magnetic moment, Curie temperature, saturation magnetization and coercive field for the obtained alloys.     

Hyperfine Interactions of 8Li in Ferromagnetic Single Crystal Fe

The hyperfine interactions of ⁸Li implanted in single crystal Fe have been studied using the β-NMR technique. One kind of hyperfine field B _hf was found. Since no dipolar field was observed, ⁸Li nuclei are suggested to sit in substitutional sites. The B _hf and the spin-lattice relaxation time T ₁ were observed as functions of temperature. The experimental B _hf and T ₁ were compared with the theoretical predictions from the first principles KKR-band-structure calculations. While predicted B _hf for the substitutional site is consistent with the experiment, predicted T ₁ cannot reproduce the experiment well. This revised version was published online in September 2006 with corrections to the Cover Date.     

Investigation of the Magnetic Hyperfine Field at 140Ce on Gd Sites in GdCo2 Compound

Perturbed angular correlation experiments on ¹⁴⁰La–¹⁴⁰Ce probes substituting for the Gd positions on GdCo2 demonstrate that the magnetic hyperfine field (MHF) on Ce atoms follows an expected Brillouin function but with a substantially reduced saturation value as compared with the MHF acting on free Ce⁺³ ions. The results were interpreted with the aid of first principles electronic structure calculations showing that the reduced value of the MHF is a consequence of a small orbital contribution to the MHF which was attributed to the de-localization of the Ce 4f electronic state.     

Hyperfine Constants for Low-Lying States in ^137Ba^＋

Relativistic many-body perturbation calculation is applied to calculate the hyperfine constants for the lowlying states 6S1/2, 6P1/2, 6P3/2, 5D3/2, and 5D5/2 in the alkaline earth ion ^137Ba^＋. The zeroth-order hyperfine constants are calculated with Dirac-Fock wave functions, and the finite basis sets of the Dirac-Fock equation are constructed by B splines. With the finite basis sets, the core polarization and the correlation effect are calculated. The final results for magnetic dipole hyperfine a constants are obtained.     

Perturbed Angular Correlation Study of Magnetic and Electric Hyperfine Interactions at 111Cd in GdNi2 and SmNi2

The magnetic hyperfine field B _hf of the closed-shell probe nucleus ¹¹¹Cd in the C15 Laves phase RNi₂ (R= Gd, Sm) has been investigated as a function of temperature by perturbed angular correlation (PAC) spectroscopy. The saturation magnetic hyperfine fields at 10 K are B _hf=7.7(2) and 3.9(1) T for GdNi₂ and SmNi₂, respectively. Although the probe nucleus resides on the cubic rare-earth site, a strong axially symmetric electric quadrupole interaction (QI) is observed in the paramagnetic phase at T300 K. The possible relation of this unexpected QI to the structural instability of RNi₂ is discussed.     

Hyperfine Interactions of Pm in Nd and Gd Hosts

Time differential perturbed angular correlation measurements were carried out using short lived isomeric 5/2⁺ state in ¹⁴⁷Pm to investigate the magnetic and electric hyperfine interactions in Nd and Gd hosts at different temperatures. At 10 K the magnetic hyperfine fields at ¹⁴⁷Pm in Nd and Gd hosts are 361(42) kG and 256(30) kG, respectively, and are very low as compared to the free-ion value while the electric field gradients are of comparable order. The magnetic hyperfine field in Gd is constant with temperature. The results are interpreted in terms of singlet ground state of Pm ion. This revised version was published online in September 2006 with corrections to the Cover Date.     

Investigation of Hyperfine Interactions in GdNiIn Compound

Perturbed gamma–gamma angular correlation technique was used to measure the hyperfine interactions in the compound GdNiIn using the ¹¹¹InCd → and ¹⁴⁰La¹⁴⁰Ce probe nuclei at the In and Gd sites, respectively. A unique quadrupole frequency with asymmetry parameter η = 0.78 was observed for ¹¹¹Cd probe at In sites for the measurements above Curie temperature. Below T _C , the spectra for ¹¹¹Cd show combined magnetic dipole and electric quadrupole interaction. Below 85 K, a unique magnetic interaction is observed at ¹⁴⁰Ce. A linear relationship between the saturated magnetic hyperfine field and the magnetic transition temperature was observed for both probes, indicating that the main contribution to the mhf comes from the conduction electron polarization.     

Mössbauer and SEM study of Fe–Al film

Fe–Al alloy with Fe/Al ratio of 3:1 was first prepared by argon arc melting. It was subsequently coated on glass slide and cellophane tape using an electron beam gun system to have a thickness of 2,000 Å. X-ray diffraction spectrum of the coated sample indicates a definite texture for the film with a preferential growth along the Fe(110) plane. SEM micrographs of the film showed the presence of nano islands of nearly 3?×?10¹²/m² surface density. Composition of different parts of the film was determined using EDAX. Room temperature Fe-57 Mössbauer spectrum of coated sample showed the presence a quadrupole doublet with a splitting of 0.46 mm/s, which is typical of Al-rich iron compounds. MOKE study shows an in-plane magnetic moment.     

Hyperfine interactions of111Cd impurities in Cr2O3

The electric and (antiferro-)magnetic hyperfine interaction of¹¹¹Cd in α-Cr₂O₃ after¹¹¹In implantation was studied via PAC. Two fractions with axially symmetric electric field gradients were observed having antishielding factors of V_zz/V_zz ^pc=79(12) and 106(16), respectively. From the line broadening of the Fourier components of the first fraction its supertransferred magnetic field was estimated as B_loc (20 K)≤0.41 T, about two orders of magnitude smaller than for substitutional¹¹¹Cd in NiO and CoO.     

Hyperfine anomaly for the ground state of 9Be+

The Fermi contact parameter which represents hyperfine structure (hfs) has been accurately calculated for the ground state of the ⁹Be⁺ ion in a previous paper. In the present paper, the calculated parameter is compared with a high precision measurement to derive the hfs anomaly (the Bohr-Weisskopf effect), which is caused by nuclear magnetization distribution. The obtained hfs anomaly shows a satisfactory agreement with the result of a nuclear shell model calculation. This revised version was published online in August 2006 with corrections to the Cover Date.     

Systematic study of mechanical deformation on Fe3Al x Si1−x powders by Mössbauer spectroscopy

The Mössbauer technique has been used to measure hyperfine magnetic fields, isomer shifts and relative areas of ⁵⁷Fe atoms located at various sites in Fe₃Al _x Si_1?x series with x?=?0, 0.3, 0.5, 0.7. Four samples were crushed; then they were annealed for 10 h at 1,023 K and cooled down at 3°/min in order to recover the DO₃ stable phase. Mössbauer studies revealed that annealed samples have a DO₃ structure, whereas deformed samples are partially disordered, with both ordered DO₃ and disordered A2 structures, even though X-rays measurements do not show superstructure peaks. The amount of disordered structure decreases with Si content.     

Ab Initio Calculation of Hyperfine Interaction Parameters: Recent Evolutions, Recent Examples

For some years already, ab initio calculations based on Density Functional Theory (DFT) belong to the toolbox of the field of hyperfine interaction studies. In this paper, the standard ab initio approach is schematically sketched. New features, methods and possibilities that broke through during the past few years are listed, and their relation to the standard approach is explained. All this is illustrated by some highlights of recent ab initio work done by the Nuclear Condensed Matter Group at the K.U.Leuven.     

Mössbauer and XRD study of pulse plated Fe–P and Fe–Ni thin layers

⁵⁷Fe conversion electron Mössbauer spectroscopy, X-ray diffraction, electrochemical and magnetic measurements were used to study pulse electroplated Fe–P and Ni–Fe coatings. XRD and ⁵⁷Fe CEMS measurements revealed the amorphous character of the novel pulse plated Fe–P alloys. CEM spectra indicated significant differences in the short range order and in the magnetic anisotropy between the Fe–P deposits pulse plated at medium long deposition time (t _on?=?2 ms), with short relaxation time (t _off?=?9 ms) and low current density (I _p?=?0.05 Acm^?2) or at short deposition time (t _on?=?1 ms) with long relaxation time (t _off?=?250 ms) and high current density (I _p?=?1.0 Acm^?2). The broad peaks centred around the fcc reflections in XRD of the pulse plated Ni-22 wt.% Fe deposit reflected a microcrystalline Ni–Fe alloy with a very fine, 5–8 nm, grain size. The CEM spectrum of the pulse plated Ni-22 wt.% Fe coating corresponded to a highly disordered solid solution alloy containing a minute amount of ferrihydrite. Extreme favourable soft magnetic properties were observed with these Ni–Fe and Fe–P pulse plated thin layers.     

Vibrational dynamics of Fe in amorphous Fe–Sc and Fe–Al alloy thin films

The atomic vibrational dynamics of ⁵⁷Fe in 800-Å thick amorphous (a-) ⁵⁷Fe_0.25Sc_0.75, a-⁵⁷Fe_0.67Sc_0.33 and a-⁵⁷Fe_0.14Al_0.86 alloy thin films has been investigated at room temperature by nuclear resonant inelastic X-ray scattering (NRIXS) of synchrotron radiation. The amorphous phase has been successfully stabilized by codeposition of Fe and Sc or Al in ultrahigh vacuum onto substrates held at –140 °C during deposition. The amorphous structure of the samples was confirmed by X-ray diffraction and conversion electron Mössbauer spectroscopy. The ⁵⁷Fe-projected partial vibrational density of states, g(E), has been obtained from the measured NRIXS vibrational excitation probability, together with thermodynamic quantities such as the probability of recoilless absorption (f-factor), the average kinetic energy per Fe atom, the average force constant, and the vibrational entropy per Fe atom. A plot of the reduced density of states, g(E)/E², versus excitation energy E proves the existence of non-Debye-like vibrational modes (boson peak) with a peak energy, E _bp , in the range of 3–7 meV. Both, the boson peak height H _bp and E _bp were found to depend on the composition. Above the boson peak, g(E)/E² exhibits an exponential decrease. Our results demonstrates that the features of the boson peak depend on the amount and type of element M (M = Al, Si, Mg, Sc).     

Hyperfine interaction of111Cd in In-Pd intermetallic compounds

Perturbed - angular correlation (PAC) spectroscopy was applied to study the hyperfine parameters for¹¹¹In probes in In-Pd intermetallic compounds. The PAC spectra measured in In₃Pd, In₃Pd₂ and InPd₂ compounds reflect the number, population and symmetry of nonequivalent indium probe sites predicted by the crystallographic data. The temperature dependence of the observed electric field gradients was measured in the temperature range 80–873 K.