Search results for "AMO"

Luminescence properties of chlorine molecules in glassy SiO 2 and optical fibre waveguides

2017

The support from Latvian Research Program IMIS 2, project “Photonics and materials for photonics” is acknowledged. K.K. was partially supported by the Collaborative Research Project of Materials and Structures Laboratory, Tokyo Institute of Technology. The publication costs of this article were covered by the Estonian Academy of Sciences and the University of Tartu.

The interdependence of structural and electrical properties in TiO2/TiO/Ti periodic multilayers

2013

International audience; Multilayered structures with 14-50 nm periods composed of titanium and two different titanium oxides, TiO and TiO2, were accurately produced by DC magnetron sputtering using the reactive gas pulsing process. The structure and composition of these periodic TiO2/TiO/Ti stacks were investigated by X-ray diffraction and transmission electronic microscopy techniques. Two crystalline phases, hexagonal close packed Ti and face centred cubic TiO, were identified in the metallic-rich sub-layers, whereas the oxygen-rich ones comprised a mixture of amorphous TiO2 and rutile phase. DC electrical resistivity rho measured for temperatures ranging from 300 to 500 K exhibited a meta…

3D magnetic and thermal fields for in the transformer with homogenised amorphous C-core under high frequency

2017

Evaluation and Comparison of Novel Precursors for Atomic Layer Deposition of Nb2O5 Thin Films

2012

Atomic layer deposition (ALD) of Nb2O5 thin films was studied using three novel precursors, namely, tBuN═Nb(NEt2)3, tBuN═Nb(NMeEt)3, and tamylN═Nb(OtBu)3. These precursors are liquid at room temperature, present good volatility, and are reactive toward both water and ozone as the oxygen sources. The deposition temperature was varied from 150 to 375 °C. ALD-type saturative growth modes were confirmed at 275 °C for tBuN═Nb(NEt2)3 and tBuN═Nb(NMeEt)3 together with both oxygen sources. Constant growth rate was observed between a temperature regions of 150 and 325 °C. By contrast, amylN═Nb(OtBu)3 exhibited limited thermal stability and thus a saturative growth mode was not achieved. All films we…

Impact of the molecular structure of an indandione fragment containing azobenzene derivatives on the morphology and electrical properties of thin fil…

2016

Abstract The solution casting method is low-cost processing method. Moreover, it is possible to prepare amorphous thin films by using this method, and thus, both optical quality and electrical properties could be improved in compare to polycrystalline films made by thermal evaporation in vacuum. Therefore, low-molecular-weight compounds that form amorphous structure from solution could be promising in organic electronics. In this work film morphology, molecule energy levels, and charge carrier mobility in thin films of indandione fragment containing azobenzene derivatives were studied. Deep charge carrier trapping states that drastically influenced charge carrier mobility were observed for …

Mixed-Mode Operation of Hybrid Phase-Change Nanophotonic Circuits

2016

Phase change materials (PCMs) are highly attractive for nonvolatile electrical and all-optical memory applications because of unique features such as ultrafast and reversible phase transitions, long-term endurance, and high scalability to nanoscale dimensions. Understanding their transient characteristics upon phase transition in both the electrical and the optical domains is essential for using PCMs in future multifunctional optoelectronic circuits. Here, we use a PCM nanowire embedded into a nanophotonic circuit to study switching dynamics in mixed-mode operation. Evanescent coupling between light traveling along waveguides and a phase-change nanowire enables reversible phase transition b…

Color centers in diamond as novel probes of superconductivity

2018

Magnetic imaging using color centers in diamond through both scanning and wide-field methods offers a combination of unique capabilities for studying superconductivity, for example, enabling accurate vector magnetometry at high temperature or high pressure, with spatial resolution down to the nanometer scale. The paper briefly reviews various experimental modalities in this rapidly developing nascent field and provides an outlook towards possible future directions.

Spark Plasma Sintering of Metallic Glasses

2019

Spark plasma sintering (SPS) of metallic glasses (MG) can be quite different from sintering crystalline metallic alloys. Indeed, MG behave differently with increasing temperature, as they encounter a glass transition and devitrification. Their shaping can thus be compared to what can be performed on thermoplastic polymers. SPS is a promising way to prepare bulk parts from amorphous powders, since it allows very fast heating and cooling rates. It gives an advantage to avoid or limit devitrification of the amorphous phase upon the thermal cycle. However, diffusion mechanisms, which generally control densification, are activated at temperatures that are not compatible with MG structural integr…

A QM/MM Approach Using the AMOEBA Polarizable Embedding: From Ground State Energies to Electronic Excitations

2016

International audience; A fully polarizable implementation of the hybrid Quantum Mechanics/Molecular Mechanics approach is presented, where the classical environment is described through the AMOEBA polarizable force field. A variational formalism, offering a self-consistent 1 relaxation of both the MM induced dipoles and the QM electronic density is used for ground state energies and extended to electronic excitations in the framework of Time-Dependent Density Functional Theory combined with a state specific response of the classical part. An application to the calculation of the solvatochromism of the pyridinium N-phenolate betaine dye used to define the solvent ET30 scale is presented. Th…

The substituent effect of π-electron delocalization in N-methylamino-nitropyridine derivatives: crystal structure and DFT calculations

2020

AbstractThe crystal and molecular structures of 3-(N-methylamino)-2-nitropyridine, 5-(N-methylamino)-2-nitropyridine and 2-(N-methylamino)-5-nitropyridine have been characterized by X-ray diffraction. To perform conformational analysis, the geometries of the compounds as well as their conformers and rotamers were optimized at the B3LYP/6-311++G(3df,3pd) level. The resulting data were used to analyze the π-electron delocalization effect in relation to the methylamino group rotation in ortho-, meta- and para-substitution positions. Quantitative aromaticity indices were calculated based on which we estimated the electronic structures of the analyzed compounds. The substituent effect of the met…