Search results for "C coupling"
showing 10 items of 149 documents
New high piezoelectric coupling PLuNT binary system ceramics
1999
Abstract The new (1 − x)Pb( Lu 1 2 Nb 1 2 ) O 3 − x PbTiO 3 binary system ceramics in the interval 0 0.49). The morphotropic region extends over the interval x = 0.38–0.49, the concentration ratio M:T ≅ 1 corresponds to x = 0.41. The maximum values of the electromechanical coupling coefficients k p = 0.663, k t = 0.481, k 31 = 0.355 of (1 − x)PLuN-xPT ceramics were attained in compositions PLuNT 59/41 (T m = 353 °C) near the morphotropic phase boundary (MPB). The PLuNT system, having large values of electromechanical coupling and the highest T m (> 350 °C) among binary Pb(B′,B″)O 3 -PT perovskites may be favorable for piezoelectric sensors and actuators, and may have an interest as promisin…
Time-Resolved Coherent Anti-Stokes Raman Scattering of Graphene: Dephasing Dynamics of Optical Phonon.
2017
We report dynamics of the G-mode in graphene probed with time-resolved coherent anti-Stokes Raman scattering measurements. By applying BOXCARS excitation geometry with three different excitation wavelengths, various nonlinear processes can be selectively detected due to energy and momentum conservation and temporal sequence of the pulses. The Raman signal due to resonant coherent excitation of the G-mode shows exponential decay with lifetime of ∼325 ± 50 fs. This decay time is shorter than expected based on the line width of the G-mode in the Raman spectrum. We propose that the unexpectedly short dephasing time is a result of dynamic variation of nonadiabatic coupling of the photoexcited el…
Theory of Nuclear Quantum Dynamics Simulations
2016
In Chap. 2, we have seen that the theoretical study of a molecular system is, in a vast majority of cases, separated in two steps. In a first step, the electronic structure of the system is studied by solving the electronic Schrodinger equation with fixed nuclei. This approach, combined with geometry optimization techniques, allows one to locate the important features of the various potential energy surfaces (PESs) of the electronic states of interest. In the context of photochemistry, as seen in Chap. 3, this approach allows one to characterize the various decay pathways of the molecule after photoexcitation. This information can then be used to interpret the various decay time constants o…
Modelling the properties of magnetic clusters with complex structures: how symmetry can help us
2020
The purpose of this article is to answer the question of how symmetry helps us to investigate and understand the properties of nanoscopic magnetic clusters with complex structures. The systems of choice will be the three types of polyoxometalates (POMs): (1) POMs containing localised spins; (2) reduced mixed-valence (MV) POMs; (3) partially delocalised POMs in which localised and delocalised subunits coexist and interact. The theoretical tools based on various kinds of symmetry are the following: (1) irreducible tensor operator (ITO) approach based on the so-called 'spin-symmetry' and MAGPACK program; (2) group-theoretical assignment of the exchange multiplets based on spin- and point symme…
Identification of Néel Vector Orientation in Antiferromagnetic Domains Switched by Currents in NiO/Pt Thin Films
2021
Understanding the electrical manipulation of the antiferromagnetic order is a crucial aspect to enable the design of antiferromagnetic devices working at THz frequencies. Focusing on collinear insulating antiferromagnetic $\mathrm{Ni}\mathrm{O}/\mathrm{Pt}$ thin films as a materials platform, we identify the crystallographic orientation of the domains that can be switched by currents and quantify the N\'eel-vector direction changes. We demonstrate electrical switching between different T domains by current pulses, finding that the N\'eel-vector orientation in these domains is along [$\ifmmode\pm\else\textpm\fi{}5$ $\ifmmode\pm\else\textpm\fi{}5$ 19], different compared to the bulk $⟨112⟩$ d…
Localization vs. Delocalization in Molecules and Clusters: Electronic and Vibronic Interactions in Mixed Valence Systems
1996
The interplay between electron delocalization and magnetic interactions play a key role in areas as diverse as solid state chemistry (bulk magnetic materials, superconductors,...) [1] and biology (iron-sulfur proteins, manganese-oxo clusters ...) [2]. In molecular inorganic chemistry these two electronic processes have been traditionally studied independently. Thus, the electron dynamics has been extensively investigated in mixedvalence dimers [3] as exemplified by the Creutz-Taube complex [(NH3)5RuII(pyrazine)RuIII(NH3)5]. In this kind of molecular complexes one extra electron is delocalized over two diamagnetic metal sites. Therefore, they constitute model systems for the study of the ele…
Exceptional points in a non-Hermitian extension of the Jaynes-Cummings Hamiltonian
2016
We consider a generalization of the non-Hermitian \({\mathcal PT}\) symmetric Jaynes-Cummings Hamiltonian, recently introduced for studying optical phenomena with time-dependent physical parameters, that includes environment-induced decay. In particular, we investigate the interaction of a two-level fermionic system (such as a two-level atom) with a single bosonic field mode in a cavity. The states of the two-level system are allowed to decay because of the interaction with the environment, and this is included phenomenologically in our non-Hermitian Hamiltonian by introducing complex energies for the fermion system. We focus our attention on the occurrence of exceptional points in the spec…
Toward multifunctional molecular cells for quantum cellular automata: exploitation of interconnected charge and spin degrees of freedom
2021
We discuss the possibility of using mixed-valence (MV) dimers comprising paramagnetic metal ions as molecular cells for quantum cellular automata (QCA). Thus, we propose to combine the underlying idea behind the functionality of QCA of using the charge distributions to encode binary information with the additional functional options provided by the spin degrees of freedom. The multifunctional ('smart') cell is supposed to consist of multielectron MV d(n)-d(n+1)-type (1 ≤ n ≤ 8) dimers of transition metal ions as building blocks for composing bi-dimeric square planar cells for QCA. The theoretical model of such a cell involves the double exchange (DE), Heisenberg-Dirac-Van Vleck (HDVV) excha…
Spectroscopy of Hexafluorides with an Odd Number of Electrons: The Vibronic Bands of IrF6
1996
Abstract The low resolution absorption spectroscopy of the first five excited electronic states of IrF 6 has made possible some new assignments for the vibronic transitions of this molecule, and the determination of new vibronic parameter values. They are more accurate than those found in the literature. In this aim, we introduce a simplified tensorial formulation for the linear Jahn–Teller terms in a fourfold degenerate electronic state of an XY 6 -type molecule, which allows easier computation of matrix elements and avoids the use of perturbation theory. Methods for IrF 6 synthesis (using a dynamical flow system) and purification are also presented.
gamma-hadron correlations as a tool to trace the flow of energy lost from hard partons in heavy-ion collisions
2009
High transverse momentum (P_T) gamma-hadron correlations are currently being regarded as the 'golden channel' for the study of the medium produced in ultrarelativistic heavy ion collisions by means of hard probes. This is due to several reasons, all linked to the fact that because of the smallness of the electromagnetic coupling alpha, the photon does not substantially interact with the medium and is expected to escape unmodified. Thus, a high P_T photon indicates a hard process in the collision independent of the position of the hard vertex. In contrast, there may not be a clear signal for a hard process involving strongly interacting partons if the production vertex is deep in the medium …