Search results for "KIT"
showing 10 items of 2311 documents
First principles hybrid Hartree-Fock-DFT calculations of bulk and (001) surface F centers in oxide perovskites and alkaline-earth fluorides
2020
Valuable discussions with E. A. Kotomin are gratefully acknowledged. Research contribution of R. E. and A. I. P. has been performed within the framework of the EUROfusion Enabling Research project: ENR-MFE19.ISSP-UL-02 “Advanced experimental and theoretical analysis of defect evolution and structural disordering in optical and dielectric materials for fusion applications.” The views and opinions expressed herein do not necessarily reflect those of the European Commission.
The challenge in realizing an exchange coupled BiFeO3-double perovskite bilayer
2020
Abstract In this work we propose a device design for efficient voltage control of magnetism. The magnetization of a ferrimagnetic double perovskite may be manipulated by an exchange coupled layer of multiferroic BiFeO3. Bilayers of Barium doped BiFeO3 and ferrimagnetic double perovskite Sr2FeMoO6 have been prepared by pulsed laser deposition motivated by the possibility of strong interlayer exchange coupling. While single layers of each material show high quality we observe that in both stacking orders the first layer decomposes during the deposition of the second layer. The reason for the decomposition are strongly differing growth conditions for BiFeO3 and Sr2FeMoO6. This means that the g…
Ab initio calculations of structural, electronic and vibrational properties of BaTiO3 and SrTiO3 perovskite crystals with oxygen vacancies
2020
The first-principles (ab initio) computations of the structural, electronic, and phonon properties have been performed for cubic and low-temperature tetragonal phases of BaTiO3 and SrTiO3 perovskite crystals, both stoichiometric and non-stoichiometric (with neutral oxygen vacancies). Calculations were performed with the CRYSTAL17 computer code within the linear combination of atomic orbitals approximation, using the B1WC advanced hybrid exchange-correlation functional of the density-functional-theory (DFT) and the periodic supercell approach. Various possible spin states of the defective systems were considered by means of unrestricted (open shell) DFT calculations. It was demonstrated that…
Continuous hydrothermal synthesis in supercritical conditions as a novel process for the elaboration of Y-doped BaZrO3
2021
Abstract The present work describes a novel process for the elaboration of a ceramic material. Y-doped barium zirconate, an electrolyte material for Protonic Ceramic Fuel cell, was synthesized by a continuous hydrothermal process in supercritical conditions (410 °C/30.0 MPa) using nitrate precursors and NaOH reactants. The use of supercritical water allowed the formation of particles of about 50 nm in diameter with a narrow size distribution. X-Ray Diffraction examination revealed that a major perovskite phase with few BaCO3 and YO(OH) impurities was obtained. BaCO3 is assumed to form due to faster kinetics than Y-doped BaZrO3 resulting in a Ba-deficient perovskite phase. The Ba-deficiency …
Epitaxial growth of perovskite oxide films facilitated by oxygen vacancies
2021
The authors would like to thank P. Yudin for valuable discussions, N. Nepomniashchaia for VASE studies, and S. Cichon for XPS analysis. The authors acknowledge support from the Czech Science Foundation (Grant No. 19-09671S), the European Structural and Investment Funds and the Ministry of Education, Youth and Sports of the Czech Republic through Programme ‘‘Research, Development and Education’’ (Project No. SOLID21 CZ.02.1.01/0.0/0.0/16-019/0000760), and ERA NET project Sun2Chem (E. K. and L. R.). Calculations have been done on the LASC Cluster in the ISSP UL.
Individual Tree Detection and Classification with UAV-Based Photogrammetric Point Clouds and Hyperspectral Imaging
2017
Made available in DSpace on 2018-12-11T17:11:58Z (GMT). No. of bitstreams: 0 Previous issue date: 2017-03-01 Suomen Akatemia Small unmanned aerial vehicle (UAV) based remote sensing is a rapidly evolving technology. Novel sensors and methods are entering the market, offering completely new possibilities to carry out remote sensing tasks. Three-dimensional (3D) hyperspectral remote sensing is a novel and powerful technology that has recently become available to small UAVs. This study investigated the performance of UAV-based photogrammetry and hyperspectral imaging in individual tree detection and tree species classification in boreal forests. Eleven test sites with 4151 reference trees repr…
Petrographic and geochemical characterization of the Middle‒Upper Jurassic Fe–Mn crusts and mineralizations from Monte Inici (north-western Sicily): …
2021
AbstractFe–Mn concretions and mineralizations, associated with condensed horizons and hardground, are significant archives in ancient carbonate rocks. Their petro-chemical study allows an assessment of the palaeoenvironmental context in which they were formed also connected to their biotic or abiotic origin. At the western side of the Monte Inici (Fornazzo section, north-western Sicily) a well exposed outcrop of condensed pelagic limestones (Rosso Ammonitico facies: Middle‒Upper Jurassic) is well-known and thoroughly studied. In this section, the base of the Rosso Ammonitico facies consists of a very condensed level rich in fossils with a variable thickness deposited from the early Bathonia…
Lower mantle hydrogen partitioning between periclase and perovskite : a quantum chemical modelling
2016
Abstract Partitioning of hydrogen (often referred to as H2O) between periclase (pe) and perovskite (pvk) at lower mantle conditions (24–80 GPa) was investigated using quantum mechanics, equilibrium reaction thermodynamics and by monitoring two H-incorporation models. One of these (MSWV) was based on replacements provided by Mg2+ ↔ 2H+ and Si4+ ↔ 4H+; while the other (MSWA) relied upon substitutions in 2Mg2+ ↔ Al3+ + H+ and Si4+ ↔ Al3+ + H+. H2O partitioning in these phases was considered in the light of homogeneous (Bulk Silicate Earth; pvk: 75%–pe:16% model contents) and heterogeneous (Layered Mantle; pvk:78%–pe:14% modal contents) mantle geochemical models, which were configured for lower…
The imprint of subduction fluids on subducted MORB-derived melts (Sierra del Convento Mélange, Cuba)
2011
International audience; Major and trace element signatures and Sr-Nd-Pb isotope data for muscovite (Ms)-bearing amphibolite blocks and associated muscovite-bearing trondhjemite and quartz-muscovite rocks from the Sierra del Convento melange (eastern Cuba) indicate that Proto-Caribbean oceanic crust underwent wet partial melting processes during Mesozoic subduction and after accretion to the upper plate. Trace element normalized patterns of Ms-bearing amphibolites are enriched in light rare earth elements (LREE) and large-ion lithophile elements (LILE) and evidence variable trace element transfer from the Proto-Caribbean subducting slab to the mantle wedge. Ms-bearing trondhjemites show LREE…
Ray optics for absorbing particles with application to ice crystals at near-infrared wavelengths
2018
Abstract Light scattering by particles large compared to the wavelength of incident light is traditionally solved using ray optics which considers absorption inside the particle approximately, along the ray paths. To study the effects rising from this simplification, we have updated the ray-optics code SIRIS to take into account the propagation of light as inhomogeneous plane waves inside an absorbing particle. We investigate the impact of this correction on traditional ray-optics computations in the example case of light scattering by ice crystals through the extended near-infrared (NIR) wavelength regime. In this spectral range, ice changes from nearly transparent to opaque, and therefore…