Search results for "SED"
showing 10 items of 21612 documents
A Local Study of the Transport Mechanisms in MoS2 Layers for Magnetic Tunnel Junctions
2018
MoS2-based vertical spintronic devices have attracted an increasing interest thanks to theoretical predictions of large magnetoresistance signals. However, experimental performances are still far from expectations. Here, we carry out the local electrical characterization of thin MoS2 flakes in a Co/Al2O3/MoS2 structure through conductive tip AFM measurements. We show that thin MoS2 presents a metallic behavior with a strong lateral transport contribution that hinders the direct tunnelling through thin layers. Indeed, no resistance dependence is observed with the flake thickness. These findings reveal a spin depolarization source in the MoS2-based spin valves, thus pointing to possible solut…
High-pressure x-ray-absorption study of GaSe
2002
The III-VI layered semiconductor InSe has been studied by high-pressure single crystal x-ray absorption spectroscopy up to a maximum pressure of 14 GPa. The In-Se distance has been measured in both the low- pressure layered phase and the high-pressure NaCl phase. The bond compressibility in the layered phase is lower than the ``a'' crystallographic parameter compressibility, which implies an increase of the angle between the In-Se bond and the layer plane. Under plausible hypothesis, a description of the evolution of the whole structure with pressure is given. In particular, the intralayer distance is observed to increase with increasing pressure. A plausible precursor defect and a simple m…
The impact of temperature on electrical properties of polymer-based nanocomposites
2020
This work was supported by National Research Foundation of Ukraine, project 2020.02/0217. IK would also like to thank VIAA, State Education Development Agency for Latvian state fellowship. HK would like to thank Ministry of Education and Science of Ukraine, project for young researchers No. 0119U100435. In addition, SP and AAP are thankful for financial support from Latvian Council of Science via grant lzp-2018/2-0083. HK and AAP are grateful for the support from the COST Action CA17126.
Influence of the MgO barrier thickness on the lifetime characteristics of magnetic tunnelling junctions for sensors
2016
Magnetic tunnelling junctions increasingly enter the market for magnetic sensor applications. Thus, technological parameters such as the lifetime characteristics become more and more important. Here, an analysis of the lifetime characteristics of magnetic tunnelling junctions using the Weibull statistical distribution for CoFeB/MgO/CoFeB junctions is presented. The Weibull distribution is governed by two parameters, the characteristic lifetime η of the population and the shape parameter β, which gives information about the presence of an infant mortality. The suitability of the Weibull distribution is demonstrated for the description of dielectric breakdown processes in MgO-based tunnelling…
Review of the PEA Method for Space Charge Measurements on HVDC Cables and Mini-Cables
2019
This review takes into account articles and standards published in recent years concerning the application of the Pulsed Electro Acoustic (PEA) method for space charge measurement on High Voltage Direct Current (HVDC) cables and mini-cables. Since the 80s, the PEA method has been implemented for space charge measurements on flat specimens in order to investigate space charge phenomena and to evaluate the ageing of dielectrics. In recent years, this technique has been adapted to cylindrical geometry. Several studies and experiments have been carried out on the use of the PEA method for full size cables and HVDC cable models. The experiments have been conducted using different arrangements of…
Ab initio multi-reference perturbation theory calculations of the ground and low-lying electronic states of the KRb molecule
2016
The potential energy curves of the low-lying electronic states correlating up to the limit K(4p) + Rb(5s) of KRb molecule have been calculated using the multi-reference perturbation theory method at the CASSCF/ XMCQDPT2 level of theory without and with spin–orbit coupling. The calculated parameters of the ground X 1 R + state are in the best agreement among all previously performed ab initio calculations for the KRb molecule. The calculated vibrational intervals of the ground electronic term of the 39 K 85 Rb molecule describe the experiment with the accuracy within ±1 cm ?1 . The calculated intensities of the 2 1 R + (v 0 = 3, J 0 = 26) ? X 1 R + (v 00 = 0...24, J 00 = 25, 27) transitions …
On the ‘expanded local mode’ approach applied to the methane molecule: isotopic substitution CH2D2←CH4
2011
On the basis of a compilation of the ‘expanded local mode’ model and the general isotopic substitution theory, sets of simple analytical relations between different spectroscopic parameters (harmonic frequencies, ωλ, anharmonic coefficients, x λμ, ro-vibrational coefficients, , different kinds of Fermi- and Coriolis-type interaction parameters) of the CH2D2 molecule are derived. All of them are expressed as simple functions of a few initial spectroscopic parameters of the mother, CH4, molecule. Test calculations with the derived isotopic relations show that, in spite of a total absence of initial information about the CH2D2 species, the numerical results of the calculations have a very good…
Structural, electronic and energetic effects in heterocyclic fluorene derivatives fused with a fulvene unit
2019
Abstract A set of 36 heterocyclic (B, N and O) fluorene (C) derivatives fused in nine ways with fulvene ring have been analyzed by means of different local aromaticity criteria. Molecular geometry of analyzed compounds were optimized at B3LYP/6-311++G(2d,2p) level of theory. The evaluation of the local aromaticity has been carried out through the use of the geometry-based harmonic oscillator model of aromaticity (HOMA) and the magnetism-based zz‐component of the nucleus independent chemical shifts calculated 1 A above the ring center (NICS1zz) indices as well as one aromaticity index derived from the Quantum Theory Atoms in Molecules (QTAIM), i.e. the para-delocalization index (PDI). Additi…
The ensemble switch method and related approaches to obtain interfacial free energies between coexisting phases from simulations: a brief review
2015
The accurate estimation of the excess free energy due to an interface between coexisting phases of a model system by computer simulation often is a challenging task. We review here two methods, whi...
Hydrogen bonding interaction of N5H with water: A first principle calculations
2019
Abstract The cyclopentazol (N5H) and its anion counterpart (N5–) have been studied extensively over the years and detected in the gas phase as well as in solution recently. In the present investigation, an attempt has been made to understand the interaction with water molecule using first principle calculations. Nature of interactions have been studied using both energy decomposition analysis and atoms in molecule (AIM) theory calculations. Further, the strength of non-covalent interactions were analysed using IGMplots.