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- ItemEpitaxial growth and stress relaxation of vapor-deposited Fe-Pd magnetic shape memory films(College Park, MD : Institute of Physics Publishing, 2009) Kühnemund, L.; Edler, T.; Kock, I.; Seibt, M.; Mayr, S.G.To achieve maximum performance in microscale magnetic shape memory actuation devices epitaxial films several hundred nanometers thick are needed. Epitaxial films were grown on hot MgO substrates (500 °C and above) by e-beam evaporation. Structural properties and stress relaxation mechanisms were investigated by high-resolution transmission electron microscopy, in situ substrate curvature measurements and classical molecular dynamics (MD) simulations. The high misfit stress incorporated during Vollmer-Weber growth at the beginning was relaxed by partial or perfect dislocations depending on the substrate temperature. This relaxation allowed the avoidance of a stressinduced breakdown of epitaxy and no thickness limit for epitaxy was found. For substrate temperatures of 690 °C or above, the films grew in the fee austenite phase. Below this temperature, iron precipitates were formed. MD simulations showed how these precipitates influence the movements of partial dislocations, and can thereby explain the higher stress level observed in the experiments in the initial stage of growth for these films. © IOP Publishing Ltd and Deutsche Physikalische Gesellschaft.
- ItemSolving the puzzle of hierarchical martensitic microstructures in NiTi by (111)-oriented epitaxial films(Amsterdam : Elsevier, 2023) Lünser, Klara; Undisz, Andreas; Wagner, Martin F.-X.; Nielsch, Kornelius; Fähler, SebastianThe martensitic microstructure decides on the functional properties of shape memory alloys. However, for the most commonly used alloy, NiTi, it is still unclear how its microstructure is built up because the analysis is hampered by grain boundaries of polycrystalline samples. Here, we eliminate grain boundaries by using epitaxially grown films in (111)B2 orientation. By combining scale-bridging microscopy with integral inverse pole figures, we solve the puzzle of the hierarchical martensitic microstructure. We identify two martensite clusters as building blocks and three kinds of twin boundaries. Nesting them at different length scales explains why habit plane variants with ⟨011⟩B19' twin boundaries and {942} habit planes are dominant; but also some incompatible interfaces occur. Though the observed hierarchical microstructure agrees with the phenomenological theory of martensite, the transformation path decides which microstructure forms. The combination of local and global measurements with theory allows solving the scale bridging 3D puzzle of the martensitic microstructure in NiTi exemplarily for epitaxial films.
- ItemEpitaxial stannate pyrochlore thin films: Limitations of cation stoichiometry and electron doping(Melville, NY : AIP Publishing, 2021) Hensling, Felix V. E.; Dahliah, Diana; Dulal, Prabin; Singleton, Patrick; Sun, Jiaxin; Schubert, Jürgen; Paik, Hanjong; Subedi, Indra; Subedi, Biwas; Rignanese, Gian-Marco; Podraza, Nikolas J.; Hautier, Geoffroy; Schlom, Darrell G.We have studied the growth of epitaxial films of stannate pyrochlores with a general formula A2Sn2O7 (A = La and Y) and find that it is possible to incorporate ∼25% excess of the A-site constituent; in contrast, any tin excess is expelled. We unravel the defect chemistry, allowing for the incorporation of excess A-site species and the mechanism behind the tin expulsion. An A-site surplus is manifested by a shift in the film diffraction peaks, and the expulsion of tin is apparent from the surface morphology of the film. In an attempt to increase La2Sn2O7 conductivity through n-type doping, substantial quantities of tin have been substituted by antimony while maintaining good film quality. The sample remained insulating as explained by first-principles computations, showing that both the oxygen vacancy and antimony-on-tin substitutional defects are deep. Similar conclusions are drawn on Y2Sn2O7. An alternative n-type dopant, fluorine on oxygen, is shallow according to computations and more likely to lead to electrical conductivity. The bandgaps of stoichiometric La2Sn2O7 and Y2Sn2O7 films were determined by spectroscopic ellipsometry to be 4.2 eV and 4.48 eV, respectively. © 2021 Author(s).
- ItemMechanisms of stress generation and relaxation during pulsed laser deposition of epitaxial Fe-Pd magnetic shape memory alloy films on MgO(Milton Park : Taylor & Francis, 2008) Edler, Tobias; Buschbeck, Jörg; Mickel, Christine; Fähler, Sebastian; Mayr, S.G.Mechanical stress generation during epitaxial growth of Fe–Pd thin films on MgO from pulsed laser deposition is a key parameter for the suitability in shape memory applications. By employing in situ substrate curvature measurements, we determine the stress states as a function of film thickness and composition. Depending on composition, different stress states are observed during initial film growth, which can be attributed to different misfits. Compressive stress generation by atomic peening is observed in the later stages of growth. Comparison with ex situ x-ray based strain measurements allows integral and local stress to be distinguished and yields heterogeneities of the stress state between coherent and incoherent regions. In combination with cross-sectional TEM measurements the relevant stress relaxation mechanism is identified to be stress-induced martensite formation with (111) twinning.