Electric field gradients in (111)In-doped (Hf/Zr)3Al2 and (Hf/Zr)4Al3 mixed compounds: ab initio calculations, perturbed angular correlation measurements and site preference.

The quadrupolar hyperfine interactions of in-diffused (111)In --> (111)Cd probes in polycrystalline isostructural Zr(4)Al(3) and Hf(4)Al(3) samples containing small admixtures of the phases (Zr/Hf)(3)Al(2) were investigated. A strong preference of (111)In solutes for the contaminant (Zr/Hf)(3)Al(2) minority phases was observed. Detailed calculations of the electric field gradient (EFG) at the Cd nucleus using the full-potential augmented plane wave + local orbital formalism allowed us to assign the observed EFG fractions to the various lattice sites in the (Zr/Hf)(3)Al(2) compounds and to understand the preferential site occupation of the minority phases by the (111)In atoms. The effects of the size of the supercell and relaxation around the oversized In and Cd probe atoms were investigated in detail.

Hyperfine interaction studies with (181)Ta and (111)Cd probes in the compound Ti(2)Ag.

By using the time-differential perturbed angular correlation technique, the electric field gradients (EFG) at (181)Hf/(181)Ta and (111)In/(111)Cd probe sites in the MoSi(2)-type compound Ti(2)Ag have been measured as a function of temperature in the range from 24 to 1073 K. Ab initio EFG calculations have been performed within the framework of density functional theory using the full-potential augmented plane wave+local orbitals method as implemented in the WIEN2k package. These calculations allowed assignments of the probe lattice sites. For Ta, a single well-defined EFG with very weak temperature dependence was established and attributed to the [4(e)4mm] Ti site. For (111)Cd probes, two of the three measured EFGs are well defined and correlated with substitutional lattice sites, i.e. both the [4(e)4mm] Ti site and the [2(a)4/mmm] Ag site.

Effects of the Ar ions pre-amorphization of Si substrate on interface mixing of Fe/Si bilayers.

Ion beam mixing of Fe/Si bilayers, induced by 100 keV (40)Ar ions at room temperature was investigated. Rutherford backscattering spectroscopy (RBS), atomic force microscopy (AFM), scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were applied for structural characterization. The main focus of this study was on the influence of the substrate structure on interface mixing. The influence of the substrate structure is due to the two classes of irradiated bilayers, Fe thin films deposited on crystalline or pre-amorphized Si substrates. An about 76% higher efficiency of atomic transport across the pre-amorphized Fe/a-Si interface as compared to that of Fe/c-Si bilayers was observed.

Evidence for nontermination of rotational bands in 74Kr.

Three rotational bands in 74Kr were studied up to (in one case one transition short of) the maximum spin I(max) of their respective single-particle configurations. Their lifetimes have been determined using the Doppler-shift attenuation method. The deduced transition quadrupole moments reveal a modest decrease, but far from a complete loss of collectivity at the maximum spin I(max). This feature, together with the results of mean field calculations, indicates that the observed bands do not terminate at I = I(max).

Magnetic Rotation in the A = 80 Region: M1 Bands in Heavy Rb Isotopes.

We have studied the isotopes (82)Rb45, (83)Rb46, and (84)Rb47 to search for magnetic rotation which is predicted in the tilted-axis cranking model for a certain mass region around A = 80. Excited states in these nuclei were populated via the reaction (11)B + (76)Ge with E = 50 MeV at the XTU tandem accelerator of the LNL Legnaro. Based on a γ-coincidence experiment using the spectrometer GASP we have found magnetic dipole bands in each studied nuclide. The regular M1 bands observed in the odd-odd nuclei (82)Rb and (84)Rb include B(M1)/B(E2) ratios decreasing smoothly with increasing spin in a range of 13(-) ≤ J(π) ≤ 16(-). These bands are interpreted in the tilted-axis cranking model on the basis of four-quasiparticle configurations of the type [Formula: see text]. This is the first evidence of magnetic rotation in the A ≈ 80 region. In contrast, the M1 sequences in the odd-even nucleus (83)Rb are not regular, and the B(M1)/B(E2) ratios show a pronounced staggering.