Search results for "electrons"
showing 10 items of 1325 documents
High-temperature spin crossover in a mononuclear six-coordinate cobalt(II) complex.
2014
The six-coordinate cobalt(II) complex of formula [Co(tppz)2](tcm)2 exhibits a thermally induced spin-crossover behavior from a high spin (S = 3/2) at higher temperatures to a low spin (S = 1/2) at lower temperatures, with the low-spin phase being achieved at T ≤ 200 K.
Wannier90 as a community code: new features and applications
2019
Wannier90 is an open-source computer program for calculating maximally-localised Wannier functions (MLWFs) from a set of Bloch states. It is interfaced to many widely used electronic-structure codes thanks to its independence from the basis sets representing these Bloch states. In the past few years the development of Wannier90 has transitioned to a community-driven model; this has resulted in a number of new developments that have been recently released in Wannier90 v3.0. In this article we describe these new functionalities, that include the implementation of new features for wannierisation and disentanglement (symmetry-adapted Wannier functions, selectively-localised Wannier functions, s…
Intersystem Crossing and Light-Induced Bistability in Iron(?) Spin-Crossover Compounds
1996
Abstract The dynamics of the high-spin→low-spin intersystem crossing process in iron(?) spin-crossover compounds are strongly influenced by cooperative effects of elastic origin which are due to the large difference in volume between high-spin and low-spin complexes. The deviation from first order kinetics is attributed to a build-up of an internal pressure as the relaxation proceeds, leading to a characteristic self-acceleration. The elastic interactions may lead to a light-induced bistability for systems which otherwise remain in the high-spin state down to cryogenic temperatures.
Detector for monitoring potential bleeding during electron intraoperative radiotherapy
2018
Purpose: The aim of this work is to develop a bleeding detector integrated into the acrylic circular applicators for specific mobile linacs. Thus, a bleeding detector has been developed based on a capacitive sensor to be used with plastic applicators, as in the case of LIAC HWL from Sordina IORT Technologies SpA. According to the clinical impact, we have selected 0.5 cm as the minimum depth of fluid that should be detected. Methods: An experiment was developed using water-simulating blood. Two setups were considered: non-beveled applicators with 7 cm and 10 cm diameter. Measurements were done for applicators 0 degrees and 45 degrees tilted, both with respect to the horizontal surface, in or…
Phantom development for daily checks in electron intraoperative radiotherapy with a mobile linac.
2020
Abstract Purpose IORT with mobile linear accelerators is a well-established modality where the dose rate and, therefore, the dose per pulse are very high. The constancy of the dosimetric parameters of the accelerator has to be checked daily. The aim of this work is to develop a phantom with embedded detectors to improve both accuracy and efficiency in the daily test of an IORT linac at the surgery room. Methods The developed phantom is manufactured with transparent polymethyl methacrylate (PMMA), allocating 6 parallel-plate chambers: a central one to evaluate the on-axis beam output, another on-axis one placed at a fixed depth under the previous one to evaluate the energy constancy and four…
Nonadiabatic transitions between lambda-doubling states in the capture of a diatomic molecule by an ion
2008
The low-energy capture of a dipolar diatomic molecule in an adiabatically isolated electronic state with a good quantum number Hund’s coupling case a by an ion occurs adiabatically with respect to rotational transitions of the diatom. However, the capture dynamics may be nonadiabatic with respect to transitions between the pair of the -doubling states belonging to the same value of the intrinsic angular momentum j. In this work, nonadiabatic transition probabilities are calculated which define the -doubling j-specific capture rate coefficients. It is shown that the transition from linear to quadratic Stark effect in the ion-dipole interaction, which damps the T �1/2 divergence of the captur…
Intramolecular electron transfer between molybdenum and iron mimicking bacterial sulphite dehydrogenase
2014
Diferrocenyl/diferrocenium substituted dioxido molybdenum(VI) complexes [Fe2MoO2] 2(Fc)/[2(FC)]²⁺ mimic the catalytic active site including the redox subunits as well as the catalytic function of bacterial sulphite oxidases.
A theoretical model for laser and powder particles interaction during laser cladding
2002
Abstract Interactions between the laser and the powder particles lead to attenuation of the laser and make the powder particles temperatures raise. According to given stream spread and speed of the powder particles, their temperature distribution at the surface of the workpiece is calculated. The attenuation of the laser induced by the cloud is also computed. These results are plotted for the case of a Gaussian distribution. Results show that with the increasing of the powder jet incidence angle, both temperature distribution of powder particles and attenuation of the laser have very different profiles. Their effects on the clad should be considered for modelling of laser cladding.
Magnetic field-controlled 0−π transitions and their experimental signatures in superconductor-ferromagnet-superconductor junctions
2019
Superconductor-ferromagnet-superconductor Josephson junctions are known to exist in the $0$ and $\pi$ states with the transitions between them controlled by the temperature and ferromagnetic interlayer thickness. We demonstrate that these transitions can be controlled also by the external magnetic field directed perpendicular to the layers. By varying the ratio of diffusion coefficients in superconducting and ferromagnetic layers, these field-controlled transitions can be made detectable for arbitrary large value of the exchange energy in the ferromagnet. We also show that the $0$-$\pi$ transitions in the perpendicular field can be observed as the specific features of the flux-flow conducti…
Spin torques and magnetic texture dynamics driven by the supercurrent in superconductor/ferromagnet structures
2018
We introduce the general formalism to describe spin torques induced by the supercurrents injected from the adjacent superconducting electrodes into the spin-textured ferromagnets. By considering the adiabatic limit for the equal-spin superconducting correlations in the ferromagnet we show that the supercurrent can generate both the field-like spin transfer torque and the spin-orbital torque. These dissipationless spin torques are expressed through the current-induced corrections to the effective field derived from the system energy. The general formalism is applied to show that the supercurrent can either shift or move the magnetic domain walls depending on their structure and the type of s…