Combined theoretical and experimental study of the Moir\'e dislocation network at the SrTiO3_3-(La,Sr)(Al,Ta)O3_3 interface

Recently a highly ordered Moir\'e dislocation lattice was identified at the interface between a \ce{SrTiO3} (STO) thin film and the (LaAlO$_3$)$_{0.3}$(Sr$_2$TaAlO$_6$)$_{0.7}$ (LSAT) substrate. A fundamental understanding of the local ionic and electronic structure around the dislocation cores is crucial to further engineer the properties of these complex multifunctional heterostructures. Here we combine experimental characterization via analytical scanning transmission electron microscopy with results of molecular dynamics and density functional theory calculations to gain insights into the structure and defect chemistry of these dislocation arrays. Our results show that these dislocations lead to undercoordinated Ta/Al cations at the dislocation core, where oxygen vacancies can easily be formed, further facilitated by the presence of cation vacancies. The reduced Ti$^{3+}$ observed experimentally at the dislocations by electron energy-loss spectroscopy are a consequence of both the structure of the dislocation itself, as well as of the electron-doping due to oxygen vacancy formation. Finally, the experimentally observed Ti diffusion into LSAT around the dislocation core occurs only together with cation-vacancy formation in LSAT or Ta diffusion into STO

Combined Theoretical and Experimental Study of the Moiré Dislocation Network at the SrTiO3-(La,Sr)(Al,Ta)O3 Interface.

Recently, a highly ordered Moiré dislocation lattice was identified at the interface between a SrTiO3 (STO) thin film and the (LaAlO3)0.3(Sr2TaAlO6)0.7 (LSAT) substrate. A fundamental understanding of the local ionic and electronic structures around the dislocation cores is crucial to further engineer the properties of these complex multifunctional heterostructures. Here, we combine experimental characterization via analytical scanning transmission electron microscopy with results of molecular dynamics and density functional theory calculations to gain insights into the structure and defect chemistry of these dislocation arrays. Our results show that these dislocations lead to undercoordinated Ta/Al cations at the dislocation core, where oxygen vacancies can easily be formed, further facilitated by the presence of cation vacancies. The reduced Ti3+ observed experimentally at the dislocations by electron energy-loss spectroscopy is a consequence of both the structure of the dislocation itself and of the electron doping due to oxygen vacancy formation. Finally, the experimentally observed Ti diffusion into the LSAT around the dislocation core occurs only together with cation vacancy formation in the LSAT or Ta diffusion into STO

Evaluation of the Nanodomain Structure in In-Zn-O Transparent Conductors

The optimization of novel transparent conductive oxides (TCOs) implies a better understanding of the role that the dopant plays on the optoelectronic properties of these materials. In this work, we perform a systematic study of the homologous series ZnkIn2Ok+3 (IZO) by characterizing the specific location of indium in the structure that leads to a nanodomain framework to release structural strain. Through a systematic study of different terms of the series, we have been able to observe the influence of the k value in the nano-structural features of this homologous series. The stabilization and visualization of the structural modulation as a function of k is discussed, even in the lowest term of the series (k = 3). The strain fields and atomic displacements in the wurtzite structure as a consequence of the introduction of In3+ are evaluated.Depto. de Química InorgánicaFac. de Ciencias QuímicasTRUEMinisterio de Ciencia, Innovación y Tecnología /Ministerio de EconomíaComunidad de Madridpu

Atomic Resolution Imaging with a sub-50 pm Electron Probe

Using a highly coherent focused electron probe in a 5th order aberration-corrected transmission electron microscope, we report on resolving a crystal spacing less than 50 pm. Based on the geometrical source size and residual coherent and incoherent axial lens aberrations, an electron probe is calculated, which is theoretically capable of resolving an ideal 47 pm spacing with 29percent contrast. Our experimental data show the 47 pm spacing of a Ge 114 crystal imaged with 11-18percent contrast at a 60-95percent confidence level, providing the first direct evidence for sub 50-pm resolution in ADF STEM imaging

Heavy hole states in Germanium hut wires

Hole spins have gained considerable interest in the past few years due to their potential for fast electrically controlled qubits. Here, we study holes confined in Ge hut wires, a so far unexplored type of nanostructure. Low temperature magnetotransport measurements reveal a large anisotropy between the in-plane and out-of-plane g-factors of up to 18. Numerical simulations verify that this large anisotropy originates from a confined wave function which is of heavy hole character. A light hole admixture of less than 1% is estimated for the states of lowest energy, leading to a surprisingly large reduction of the out-of-plane g-factors. However, this tiny light hole contribution does not influence the spin lifetimes, which are expected to be very long, even in non isotopically purified samples

Transition to the quantum hall regime in InAs nanowire cross-junctions

We present a low-temperature electrical transport study on four-terminal ballistic InAs nanowire cross-junctions in magnetic fields aligned perpendicular to the cross-plane. Two-terminal longitudinal conductance measurements between opposing contact terminals reveal typical 1D conductance quantization at zero magnetic field. As the magnetic field is applied, the 1D bands evolve into hybrid magneto-electric sub-levels that eventually transform into Landau levels for the widest nanowire devices investigated (width = 100 nm). Hall measurements in a four-terminal configuration on these devices show plateaus in the transverse Hall resistance at high magnetic fields that scale with (ve 2 /h) -1 . e is the elementary charge, h denotes Planck's constant and v is an integer that coincides with the Landau level index determined from the longitudinal conductance measurements. While the 1D conductance quantization in zero magnetic field is fragile against disorder at the NW surface, the plateaus in the Hall resistance at high fields remain robust as expected for a topologically protected Quantum Hall phase. © 2019 IOP Publishing Ltd

Intergranular pore space evolution in MX80 bentonite during a long-term experiment

Focused ion beam nanotomography (FIB-nt) was applied to MX80 bentonite samples from the long-term Alternative Buffer Material (ABM) experiment in order to study the evolution of the intergranular pore space under similar condition that is supposed to prevail in repositories of nuclear waste. The applied high-resolution imaging method revealed the presence of two different types of pore filler. The first type is related to corrosion of iron and is represented by newly formed heavy minerals. Extensive formation of heavy minerals occurred only near the iron parts of the experimental set up. Based on comparison with other studies, the second filler type was interpreted as clay-gel that was likely formed during water uptake and swelling. A large fraction of the initial pore space was filled with such a clay gel. By attributing filled pores to the present open porosity, the initial intergranular porosity (radii > 10 nm) of the starting material was in the range of 4.3–4.6 vol.%, which was reduced to 10 nm), which yielded percolation thresholds with critical porosities ϕ in the range of 3–19 vol.%. Thus, the residual open porosity was far below the percolation threshold. The initial porosity of one sample was above the percolation threshold, but also in this material percolation was restricted to one spatial direction. This indicated anisotropy with respect to percolation. The formation of a clay-gel and heavy minerals led to a decrease in intergranular porosity, which in turn affected connectivity of the pore network. Using results from pore-network modelling in combination with percolation theory illustrates that a minor reduction of porosity led to a substantial decrease in pore connectivity. Depending on water saturation within the observed intergranular pore space, air permeability decreases exponentially over three to four orders of magnitude within a narrow porosity range of about 1 vol.%. Based on observations and calculations, gas transport along the intergranular pore space of MX80 bentonite from the ABM experiment is not considered as a possible scenario and can reasonably be excluded

Child-Robot Interactions Using Educational Robots : An Ethical and Inclusive Perspective

The Qui-Bot H2O project involves developing four educational sustainable robots and their associated software. Robots are equipped with HRI features such as voice recognition and color sensing, and they possess a humanoid appearance. The project highlights the social and ethical aspects of robotics applied to chemistry and industry 4.0 at an early age. Here, we report the results of an interactive study that involved 212 students aged within the range of 3-18. Our educational robots were used to measure the backgrounds, impact, and interest of students, as well as their satisfaction after interacting with them. Additionally, we provide an ethical study of the use of these robots in the classroom and a comparison of the interactions of humanoid versus non-humanoid educational robots observed in early childhood learning. Our findings demonstrate that these robots are useful in teaching technical and scientific concepts in a playful and intuitive manner, as well as in increasing the number of girls who are interested in science and engineering careers. In addition, major impact measures generated by the project within a year of its implementation were analyzed. Several public administrations in the area of gender equality endorsed and participated in the Qui-Bot H2O project in addition to educational and business entities