Roger Ward

Abstract:

We present a detailed structural characterization of the interfaces in Fe/MgO/Fe layers grown by molecular-beam epitaxy using aberration-corrected transmission electron microscopy (TEM), scanning TEM, and electron energy-loss spectroscopy. When fabricated into magnetic tunnel junctions, these epitaxial devices exhibit large tunnel magnetoresistance ratios (e.g., 318% at 10 K), though still considerably lower than the values predicted theoretically. The reason for this discrepancy is being debated and has been attributed to the structure of, and defects at the interface, namely, the relative position of the atoms, interface oxidation, strain, and structural asymmetry of the interfaces. In this structural study, we observed that Fe is bound to O at the interfaces. The interfaces are semicoherent and mostly sharp with a minor degree of oxidation. A comparison of the two interfaces shows that the top MgO/Fe interface is rougher. © 2010 The American Physical Society.

Abstract:

The ab-initio density functional theory (DFT) code CASTEP was used to model oxygen K edges in various magnesium oxide systems. Firstly, for the bulk material the process of geometry optimisation was carried out. Predicted oxygen K edges were found for a single cell with experimental lattice parameters, and parameters obtained after geometry optimisation, both with single electron core-holes in place. After geometry optimisation, a different predicted result was obtained, although it was qualitatively similar to the result for experimental lattice parameters in some respects. For example, approximately the same sets of peaks are observed, though in different energy positions, and with different relative peak intensities within those sets. Ultimately for the single cell results the experimental lattice parameters generated the predicted result that was in the closest agreement with experiment. It was further observed that a large supercell result (based on the experimental lattice parameters, utilising a core-hole) led to a slightly improved comparison with experiment as compared to the corresponding single cell result, although the latter result, and indeed a ground state calculation also give reasonable agreement with experiment. To rationalise these observations it was necessary to investigate the density of states (DOS) for the MgO cell and its constituent atoms, and it was observed that the conduction bands were of predominantly magnesium character. Furthermore, the core-hole's introduction had relatively little overall effect on the p DOS prediction for oxygen, though there is a significant localised change close to the Fermi level. This work also considers interface and surface results. The principal aim of the study was to explore the interface of Fe. (0. 0. 1)/MgO. (0. 0. 1), crucial in certain classes of magnetic tunnel junctions (MTJs), which have significant technological applications. An initial step was to consider a MgO. (0. 0. 1) surface. It was verified that a surface could be constructed such that within that surface a theoretical result could be found that matched the bulk result. It was then valid to use this surface as part of an interface with iron. Theoretical results obtained at that interface compare well with experimental results from an epitaxially grown MTJ, and various conclusions are drawn with regard to the nature of the interface. © 2009 Elsevier B.V.

Abstract:

Low-voltage spin-dependent tunneling spectroscopy of an epitaxial Fe/MgO/Fe magnetic tunnel junction is measured and compared to first-principles calculation of the tunneling conductance. The measured dynamic conductance (dI/dV) in the parallel configuration shows distinct asymmetric features as a function of the bias voltage. The peaks are independent of barrier thickness, magnetic field, and temperature. With the help of the first-principles calculations, positive and negative bias spectra can be related to different types of Fe/MgO interfaces. © 2010 The American Physical Society.

Abstract:

Recent discoveries of novel electronic states, including relatively high-temperature superconductivity, in the actinides point to exciting prospects for future discoveries at the bottom of the periodic table. A key ingredient in all of the successes discussed here is the role of high-quality synthesis in enabling advances. Results on PuCoGa5, NpPd5Al 2, and single crystal uranium are discussed.