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DDC: 530 × Subject: Point defects ×

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    Visualization of localized perturbations on a (001) surface of the ferromagnetic semimetal EuB6
    (College Park, MD : American Physical Society, 2020) Rößler, S.; Jiao, L.; Seiro, S.; Rosa, P.F.S.; Fisk, Z.; Rößler, U.K.; Wirth, S.
    We performed scanning tunneling microscopy (STM) and spectroscopy on a (001) surface of the ferromagnetic semimetal EuB6. Large-amplitude oscillations emanating from the elastic scattering of electrons by the surface impurities are observed in topography and in differential conductance maps. Fourier transform of the conductance maps embracing these regions indicate a holelike dispersion centered around the Γ point of the two-dimensional Brillouin zone. Using density functional theory slab calculations, we identify a spin-split surface state, which stems from the dangling pz orbitals of the apical boron atom. Hybridization with bulk electronic states leads to a resonance enhancement in certain regions around the Γ point, contributing to the remarkably strong real-space response around static point defects, which are observed in STM measurements.
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    Structural defects in Fe-Pd-based ferromagnetic shape memory alloys: Tuning transformation properties by ion irradiation and severe plastic deformation
    (Bristol : IOP, 2012) Mayr, S.G.; Arabi-Hashemi, A.
    Fe-Pd-based ferromagnetic shape memory alloys constitute an exciting class of magnetically switchable smart materials that reveal excellent mechanical properties and biocompatibility. However, their application is severely hampered by a lack of understanding of the physics at the atomic scale. A many-body potential is presented that matched ab inito calculations and can account for the energetics of martensite ↔ austenite transition along the Bain path and relative phase stabilities in the ordered and disordered phases of Fe-Pd. Employed in massively parallel classical molecular dynamics simulations, the impact of order/disorder, point defects and severe plastic deformation in the presence of single- and polycrystalline microstructures are explored as a function of temperature. The model predictions are in agreement with experiments on phase changes induced by ion irradiation, cold rolling and hammering, which are also presented.