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    Nanoscale Mapping of the 3D Strain Tensor in a Germanium Quantum Well Hosting a Functional Spin Qubit Device
    (Washington, DC : Soc., 2023) Corley-Wiciak, Cedric; Richter, Carsten; Zoellner, Marvin H.; Zaitsev, Ignatii; Manganelli, Costanza L.; Zatterin, Edoardo; Schülli, Tobias U.; Corley-Wiciak, Agnieszka A.; Katzer, Jens; Reichmann, Felix; Klesse, Wolfgang M.; Hendrickx, Nico W.; Sammak, Amir; Veldhorst, Menno; Scappucci, Giordano; Virgilio, Michele; Capellini, Giovanni
    A strained Ge quantum well, grown on a SiGe/Si virtual substrate and hosting two electrostatically defined hole spin qubits, is nondestructively investigated by synchrotron-based scanning X-ray diffraction microscopy to determine all its Bravais lattice parameters. This allows rendering the three-dimensional spatial dependence of the six strain tensor components with a lateral resolution of approximately 50 nm. Two different spatial scales governing the strain field fluctuations in proximity of the qubits are observed at <100 nm and >1 μm, respectively. The short-ranged fluctuations have a typical bandwidth of 2 × 10-4 and can be quantitatively linked to the compressive stressing action of the metal electrodes defining the qubits. By finite element mechanical simulations, it is estimated that this strain fluctuation is increased up to 6 × 10-4 at cryogenic temperature. The longer-ranged fluctuations are of the 10-3 order and are associated with misfit dislocations in the plastically relaxed virtual substrate. From this, energy variations of the light and heavy-hole energy maxima of the order of several 100 μeV and 1 meV are calculated for electrodes and dislocations, respectively. These insights over material-related inhomogeneities may feed into further modeling for optimization and design of large-scale quantum processors manufactured using the mainstream Si-based microelectronics technology.
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    Seeded Growth Synthesis of Gold Nanotriangles: Size Control, SAXS Analysis, and SERS Performance
    (Washington, DC : Soc., 2018) Kuttner, Christian; Mayer, Martin; Dulle, Martin; Moscoso, Ana; López-Romero, Juan Manuel; Förster, Stephan; Fery, Andreas; Pérez-Juste, Jorge; Contreras-Cáceres, Rafael
    We studied the controlled growth of triangular prismatic Au nanoparticles with different beveled sides for surface-enhanced Raman spectroscopy (SERS) applications. First, in a seedless synthesis using 3-butenoic acid (3BA) and benzyldimethylammonium chloride (BDAC), gold nanotriangles (AuNTs) were synthesized in a mixture with gold nanooctahedra (AuNOCs) and separated by depletion-induced flocculation. Here, the influence of temperature, pH, and reducing agent on the reaction kinetics was initially investigated by UV–vis and correlated to the size and yield of AuNT seeds. In a second step, the AuNT size was increased by seed-mediated overgrowth with Au. We show for the first time that preformed 3BA-synthesized AuNT seeds can be overgrown up to a final edge length of 175 nm and a thickness of 80 nm while maintaining their triangular shape and tip sharpness. The NT morphology, including edge length, thickness, and tip rounding, was precisely characterized in dispersion by small-angle X-ray scattering and in dry state by transmission electron microscopy and field-emission scanning electron microscopy. For sensor purposes, we studied the size-dependent SERS performance of AuNTs yielding analytical enhancement factors between 0.9 × 104 and 5.6 × 104 and nanomolar limit of detection (10–8–10–9 M) for 4-mercaptobenzoic acid and BDAC. These results confirm that the 3BA approach allows the fabrication of AuNTs in a whole range of sizes maintaining the NT morphology. This enables tailoring of localized surface plasmon resonances between 590 and 740 nm, even in the near-infrared window of a biological tissue, for use as colloidal SERS sensing agents or for optoelectronic applications.
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    Transient spin injection efficiencies at ferromagnet/metal interfaces
    (Weinheim : Wiley-VCH, 2022-10-19) Elliott, Peter; Eschenlohr, Andrea; Chen, Jinghao; Shallcross, Sam; Bovensiepen, Uwe; Dewhurst, John Kay; Sharma, Sangeeta
    Spin injection across interfaces driven by ultrashort optical pulses on femtosecond timescales constitutes a new way to design spintronics applications. Targeted utilization of this phenomenon requires knowledge of the efficiency of non-equilibrium spin injection. From a quantitative comparison of ab initio time-dependent density functional theory and interface-sensitive, time-resolved non-linear optical experiment, the spin injection efficiency (SIE) at the Co/Cu(001) interface is determined, and its microscopic origin, i.e., the influence of spin-orbit coupling and the interface electronic structure, is discussed. Moreover, we theoretically predict that the SIE at ferromagnetic–metal interfaces can be optimized through laser pulse and materials parameters, namely the fluence, pulse duration, and substrate material.
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    The Role of Al2O3 ALD Coating on Sn-Based Intermetallic Anodes for Rate Capability and Long-Term Cycling in Lithium-Ion Batteries
    (Weinheim : Wiley-VCH, 2022) Soltani, Niloofar; Abbas, Syed Muhammad; Hantusch, Martin; Lehmann, Sebastian; Nielsch, Kornelius; Bahrami, Amin; Mikhailova, Daria
    The electrochemical performances of CoSn2 and Ni3Sn4 as potential anode materials in lithium-ion batteries (LIBs) are investigated using varying thicknesses of an alumina layer deposited by the atomic layer deposition (ALD) technique. Rate capability results showed that at high current densities, Al2O3-coated CoSn2 and Ni3Sn4 electrodes after 10-ALD cycles outperformed uncoated materials. The charge capacities of coated CoSn2 and Ni3Sn4 electrodes are 571 and 134 mAh g−1, respectively, at a high current density of 5 A g−1, while the capacities of uncoated electrodes are 363 and 11 mAh g−1. When the current density is reduced to 1 A g−1, however, the cycling performances of Al2O3-coated CoSn2 and Ni3Sn4 electrodes fade faster after almost 40 cycles than uncoated electrodes. The explanation is found in the composition of the solid-electrolyte interface (SEI), which strongly depends on the current rate. Thus, X-ray photoelectron spectroscopy analysis of SEI layers on coated samples cycles at a low current density of 0.1 Ag−1, revealed organic carbonates as major products, which probably have a low ionic conductivity. In contrast, the SEI of coated materials cycled at 5 Ag−1 consists mostly of mixed inorganic/organic fluorine-rich Al-F and C-F species facilitating a higher ionic transport, which improves electrochemical performance.
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    Transparent Power-Generating Windows Based on Solar-Thermal-Electric Conversion
    (Weinheim : Wiley-VCH, 2021) Zhang, Qihao; Huang, Aibin; Ai, Xin; Liao, Jincheng; Song, Qingfeng; Reith, Heiko; Cao, Xun; Fang, Yueping; Schierning, Gabi; Nielsch, Kornelius; Bai, Shengqiang; Chen, Lidong
    Integrating transparent solar-harvesting systems into windows can provide renewable on-site energy supply without altering building aesthetics or imposing further design constraints. Transparent photovoltaics have shown great potential, but the increased transparency comes at the expense of reduced power-conversion efficiency. Here, a new technology that overcomes this limitation by combining solar-thermal-electric conversion with a material's wavelength-selective absorption is presented. A wavelength-selective film consisting of Cs0.33WO3 and resin facilitates high visible-light transmittance (up to 88%) and outstanding ultraviolet and infrared absorbance, thereby converting absorbed light into heat without sacrificing transparency. A prototype that couples the film with thermoelectric power generation produces an extraordinary output voltage of ≈4 V within an area of 0.01 m2 exposed to sunshine. Further optimization design and experimental verification demonstrate high conversion efficiency comparable to state-of-the-art transparent photovoltaics, enriching the library of on-site energy-saving and transparent power generation.
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    Current State-of-the-Art in the Interface/Surface Modification of Thermoelectric Materials
    (Weinheim : Wiley-VCH, 2021) He, Shiyang; Lehmann, Sebastian; Bahrami, Amin; Nielsch, Kornelius
    Thermoelectric (TE) materials are prominent candidates for energy converting applications due to their excellent performance and reliability. Extensive efforts for improving their efficiency in single-/multi-phase composites comprising nano/micro-scale second phases are being made. The artificial decoration of second phases into the thermoelectric matrix in multi-phase composites, which is distinguished from the second-phase precipitation occurring during the thermally equilibrated synthesis of TE materials, can effectively enhance their performance. Theoretically, the interfacial manipulation of phase boundaries can be extended to a wide range of materials. High interface densities decrease thermal conductivity when nano/micro-scale grain boundaries are obtained and certain electronic structure modifications may increase the power factor of TE materials. Based on the distribution of second phases on the interface boundaries, the strategies can be divided into discontinuous and continuous interfacial modifications. The discontinuous interfacial modifications section in this review discusses five parts chosen according to their dispersion forms, including metals, oxides, semiconductors, carbonic compounds, and MXenes. Alternatively, gas- and solution-phase process techniques are adopted for realizing continuous surface changes, like the core–shell structure. This review offers a detailed analysis of the current state-of-the-art in the field, while identifying possibilities and obstacles for improving the performance of TE materials.
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    A novel approach to fabricate load-bearing Ti6Al4V-Barium titanate piezoelectric bone scaffolds by coupling electron beam melting and field-assisted sintering
    (Amsterdam [u.a.] : Elsevier Science, 2022) Riaz, Abdullah; Polley, Christian; Lund, Henrik; Springer, Armin; Seitz, Hermann
    A critical-size bone defect in load-bearing areas is a challenging clinical problem in orthopaedic surgery. Titanium alloy (Ti6Al4V) scaffolds have advantages because of their biomechanical stability but lack electrical activity, which hinders their further use. This work is focused on the fabrication of Ti6Al4V-Barium Titanate (BaTiO3) bulk composite scaffolds to combine the biomechanical stability of Ti6Al4V with electrical activity through BaTiO3. For the first time, a hollow cylindrical Ti6Al4V is additively manufactured by electron beam melting and combined with piezoelectric BaTiO3 powder for joint processing in field-assisted sintering. Scanning electron microscope images on the interface of the Ti6Al4V-BaTiO3 composite scaffold showed that after sintering, the Ti6Al4V lattice structure bounded with BaTiO3 matrix without its major deformation. The Ti6Al4V-BaTiO3 scaffold had average piezoelectric constants of (0.63 ± 0.12) pC/N directly after sintering due to partial dipole alignment of the BaTiO3 tetragonal phase, which increased to (4.92 ± 0.75) pC/N after a successful corona poling. Moreover, the nanoindentation values of Ti6Al4V exhibited an average hardness and Young's modulus of (5.9 ± 0.9) GPa and (130 ± 14) GPa, and BaTiO3 showed (4.0 ± 0.6) GPa and (106 ± 10) GPa, respectively. It reveals that the Ti6Al4V is the harder and stiffer part in the Ti6Al4V-BaTiO3 composite scaffold. Such a scaffold has the potential to treat critical-size bone defects in load-bearing areas and guide tissue regeneration by physical stimulation.
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    Erratum: Exploring the 3D structure and defects of a self-assembled gold mesocrystal by coherent X-ray diffraction imaging (Nanoscale (2021) DOI: 10.1039/D1NR01806J)
    (Cambridge : RSC Publ., 2021) Carnis, Jerome; Kirner, Felizitas; Lapkin, Dmitry; Sturm, Sebastian; Kim, Young Yong; Baburin, Igor A.; Khubbutdinov, Ruslan; Ignatenko, Alexandr; Iashina, Ekaterina; Mistonov, Alexander; Steegemans, Tristan; Wieck, Thomas; Gemming, Thomas; Lubk, Axel; Lazarev, Sergey; Sprung, Michael; Vartanyants, Ivan A.; Sturm, Elena V.
    Correction for ‘Exploring the 3D structure and defects of a self-assembled gold mesocrystal by coherent X-ray diffraction imaging’ by Jerome Carnis et al., Nanoscale, 2021, DOI: 10.1039/D1NR01806J.
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    Precipitate number density determination in microalloyed steels by complementary atom probe tomography and matrix dissolution
    (Dordrecht [u.a.] : Springer Science + Business Media B.V, 2022) Weber, Louis; Webel, Johannes; Mücklich, Frank; Kraus, Tobias
    Particle number densities are a crucial parameter in the microstructure engineering of microalloyed steels. We introduce a new method to determine nanoscale precipitate number densities of macroscopic samples that is based on the matrix dissolution technique (MDT) and combine it with atom probe tomography (APT). APT counts precipitates in microscopic samples of niobium and niobium-titanium microalloyed steels. The new method uses MDT combined with analytical ultracentrifugation (AUC) of extracted precipitates, inductively coupled plasma–optical emission spectrometry, and APT. We compare the precipitate number density ranges from APT of 137.81 to 193.56 × 1021 m−3 for the niobium steel and 104.90 to 129.62 × 1021 m−3 for the niobium-titanium steel to the values from MDT of 2.08 × 1021 m−3 and 2.48 × 1021 m−3. We find that systematic errors due to undesired particle loss during extraction and statistical uncertainties due to the small APT volumes explain the differences. The size ranges of precipitates that can be detected via APT and AUC are investigated by comparison of the obtained precipitate size distributions with transmission electron microscopy analyses of carbon extraction replicas. The methods provide overlapping resulting ranges. MDT probes very large numbers of small particles but is limited by errors due to particle etching, while APT can detect particles with diameters below 10 nm but is limited by small-number statistics. The combination of APT and MDT provides comprehensive data which allows for an improved understanding of the interrelation between thermo-mechanical controlled processing parameters, precipitate number densities, and resulting mechanical-technological material properties. Graphical abstract: [Figure not available: see fulltext.]
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    Selective electrodeposition of indium microstructures on silicon and their conversion into InAs and InSb semiconductors
    (New York, NY [u.a.] : Springer, 2023) Hnida-Gut, Katarzyna E.; Sousa, Marilyne; Tiwari, Preksha; Schmid, Heinz
    Abstract: The idea of benefitting from the properties of III-V semiconductors and silicon on the same substrate has been occupying the minds of scientists for several years. Although the principle of III-V integration on a silicon-based platform is simple, it is often challenging to perform due to demanding requirements for sample preparation rising from a mismatch in physical properties between those semiconductor groups (e.g. different lattice constants and thermal expansion coefficients), high cost of device-grade materials formation and their post-processing. In this paper, we demonstrate the deposition of group-III metal and III-V semiconductors in microfabricated template structures on silicon as a strategy for heterogeneous device integration on Si. The metal (indium) is selectively electrodeposited in a 2-electrode galvanostatic configuration with the working electrode (WE) located in each template, resulting in well-defined In structures of high purity. The semiconductors InAs and InSb are obtained by vapour phase diffusion of the corresponding group-V element (As, Sb) into the liquified In confined in the template. We discuss in detail the morphological and structural characterization of the synthesized In, InAs and InSb crystals as well as chemical analysis through scanning electron microscopy (SEM), scanning transmission electron microscopy (TEM/STEM), and energy-dispersive X-ray spectroscopy (EDX). The proposed integration path combines the advantage of the mature top-down lithography technology to define device geometries and employs economic electrodeposition (ED) and vapour phase processes to directly integrate difficult-to-process materials on a silicon platform. Graphical abstract: [Figure not available: see fulltext.].