The method of perturbed angular correlation (PAC) was applied to selected MAX phases with 211 stoichiometry. Radioactive (111)In ions were implanted in order to measure the electric field gradients (EFG) in the key compounds Ti(2)InC and Zr(2)InC to determine the strength and symmetry of the EFG at the In-site. Further PAC studies in the In-free MAX phases Ti(2)AlN, Nb(2)AlC, Nb(2)AsC and Cr(2)GeC were performed to confirm that the In probes occupy the A-site as well. The strength of the EFG, with a quadrupole coupling constant ν(Q) between 250 and 300 MHz in these phases, is quite similar to the ones found in Ti(2)InC with ν(Q) = 292(1) MHz and in Zr(2)InC with ν(Q) = 344(1) MHz, respectively. Different annealing behavior was observed whereas in all cases a linear decrease of ν(Q) with increasing measuring temperatures was found. The experimental results are also in excellent agreement with those predicted by ab initio calculations using the APW+lo method implemented in the WIEN2k code. This study shows in an exceptional manner that (111)In → (111)Cd atoms are suitable probes to investigate the local surrounding at the A-site in 211-MAX phases.
We use the perturbed angular correlation method with (111)In-(111)Cd probe atoms to in situ study the changes in the electric field gradient at room temperature of polycrystalline Ti(2)AlN and Nb(2)AlC, titanium and zinc, and rutile samples, as a function of cyclic uniaxial compressive loads. The load dependence of the quadrupole coupling constant νQ was found to be large in titanium and zinc but small in Ti(2)AlN, Nb(2)AlC and rutile. Reversible and irreversible increases in the electric field gradient distribution widths were found under load and after releasing the load, respectively. Annihilation of dislocations, as well as elastic deformation, are considered to contribute to the reversible behavior. The irreversible response must be caused by a permanent increase in dislocation and point defect densities. The deformation induced broadening of the electric field gradient can be recovered by post-annealing of the deformed sample.
The stopping power of liquid water was measured for the first time for carbon ions in the energy range between 1 and 6 MeV using the inverted Doppler shift attenuation method. The feasibility study carried out within the scope of the present work shows that this method is well suited for the quantification of the controversial condensed phased effect in the stopping power for heavy ions in the intermediate energy range. The preliminary results of this work indicate that the stopping power of water for carbon ions with energies prevailing in the Bragg-peak region is significantly lower than that of water vapor. In view of the relatively high uncertainty of the present results, a new experiment with uncertainties less than the predicted difference between the stopping powers of both water phases is planned.
We present ab-initio calculations of the independent components of gradient elastic tensors, so-called gradient elastic constants, which relate electric field gradient tensors to stress or strain tensors. The constants of cubic and hexagonal metals, MAX phases, and zinc oxide were determined within the framework of density functional theory by using the augmented plane waves plus local orbitals method implemented in the WIEN2k code. Comparison with experimental gradient elastic constants and electric field gradients' stress dependencies suggest an accuracy of about 30% of the calculated constants, independent of the probe that detects the field gradient being self- or foreign-atom. Changes in the electric field gradient take place by strain-induced asymmetric occupations of the p and d states in the valence region for all investigated materials. Volume and structural dependencies of the electric field gradient can directly be determined from this fundamental approach and are, for hexagonal closed packed metals, consistent with vanishing electric field gradients around ideal close packing and volume dependencies larger than one. The concept of these calculations is applicable in any hyperfine interaction method and, thus, can be used to gain information about intrinsic strains in systems where the experimental gradient elastic constants are inaccessible.
Range and mixing distributions of carbon ions deposited onto tetrahedral amorphous carbon films at kinetic energies between 22 eV and 692 eV are measured utilizing high-resolution elastic recoil detection. These data are compared to respective calculations based on binary collision approximation as well as to classical molecular-dynamics simulations. The measured range profiles reveal asymmetric, bimodal structures which are not reproduced from theories. The measured mixing distributions approve the measured range distributions, in particular the observed differences between theory and experiment, which have to be considered in subplantation growth models.
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