Search results for " coupling"

Coulomb blockade thermometry

1996

One dimensional arrays of normal metal tunnel junctions have been found to exhibit properties which are very suitable for primary and secondary thermometry in a lithographically adjustable temperature range which extends over about two decades. The thermometer is remarkably insensitive to nonuniformities in the actual pattern and to even strong magnetic fields. We also discuss the behaviour of this device at very low temperatures where the hot electron effect due to poor electron phonon coupling ultimately takes over and at very high temperatures where the finite tunnel barrier effects appear. Short arrays, and especially single tunnel junctions show interesting deviations from the universa…

Nanosession: Spin Tunneling Systems

2013

Ab initio calculations of the transfer parameters and coulombic repulsion and estimation of their effects on the electron delocalization and magnetic…

2003

International audience; In this work, we present ab initio calculations on embedded fragments that permit to extract the value of the effective electron transfer integral and coulombic repulsion between W nearest neighbour atoms in a mixed-valence αPW12O40 Keggin polyoxoanion. This allows us to perform a quantitative study of the influence of these two parameters on the magnetic properties of Keggin polyoxoanions reduced by two electrons. We surprisingly find that the electron transfer between edge-sharing and corner-sharing WO6 octahedra have very close values, and show that the punctual charges estimation of coulombic repulsion may not be accurate enough to study the electronic distributi…

Mixed-Valence Molecular Unit for Quantum Cellular Automata: Beyond the Born-Oppenheimer Paradigm through the Symmetry-Assisted Vibronic Approach.

2016

In this article, we focus on the electron-vibrational problem of the tetrameric mixed-valence (MV) complexes proposed for implementation as four-dot molecular quantum cellular automata (mQCA).1 Although the adiabatic approximation explored in ref 2 is an appropriate tool for the qualitative analysis of the basic characteristics of mQCA, like vibronic trapping of the electrons encoding binary information and cell-cell response, it loses its accuracy providing moderate vibronic coupling and fails in the description of the discrete pattern of the vibronic levels. Therefore, a precise solution of the quantum-mechanical vibronic problem is of primary importance for the evaluation of the shapes o…

Magnetic mixed-valence d2-d1-d1 trimers with partial electron delocalization: vibronic coupling and magnetic properties

1993

Abstract The energy levels and magnetic properties of a triangular mixed-valence cluster d1-d1-d2 with electron delocalization in a pair of sites are examined from a model that takes into account electron transfer, magnetic exchange, and vibronic coupling. We show that the electron transfer process involves besides the usual double-exchange parameter, and additional parameter referred to as exchange transfer. This last parameter accounts for the interaction between the moving electron of the mixed valence pair and the electron localized in the third side. We notice that the role of double exchange is to stabilize a ferromagnetic alignment of the spins on the mixed-valence pair. A comparison…

Mixed-valence polyoxometalate clusters. III. Vibronic problem for the 2-electron reduced heteropoly blue with the Keggin structure

1995

Abstract A general approach to the vibronic problem of delocalized electronic pairs in mixed-valence compounds is developed and applied to understand the ways of electron delocalization in dodecanuclear polyoxometalate clusters containing two moving electrons. The interplay between electronic and vibronic interactions is examined. The electronic spectrum is shown to consist of two spin triplets 3 T 1 and 3 T 2 and three spin singlets 1 A 1 , 1 E and 1 T 2 levels determined by the double-transfer processes (parameter P ). Jahn-Teller and pseudo-Jahn-Teller problems ( 3 T 1 + 3 T 2 ) ⊗ ( e + t 2 ) and ( 1 A 1 + 1 E + 1 T 2 ) ⊗ ( e + t 2 ) have been considered in the framework of the Piepho-Kr…

Electrically switchable magnetic molecules: inducing a magnetic coupling by means of an external electric field in a mixed-valence polyoxovanadate cl…

2015

International audience; Herein we evaluate the influence of an electric field on the coupling of two delocalized electrons in the mixed-valence polyoxometalate (POM) [GeV14 O40 ](8-) (in short V14 ) by using both a t-J model Hamiltonian and DFT calculations. In absence of an electric field the compound is paramagnetic, because the two electrons are localized on different parts of the POM. When an electric field is applied, an abrupt change of the magnetic coupling between the two delocalized electrons can be induced. Indeed, the field forces the two electrons to localize on nearest-neighbors metal centers, leading to a very strong antiferromagnetic coupling. Both theoretical approaches have…

Ventricular-vascular coupling in hypertension: methodological considerations and clinical implications.

2014

The present review is addressed to analyse the complex interplay between left ventricle and arterial tree in hypertension. The different methodological approaches to the analysis of ventricular vascular coupling in the time and frequency domain are discussed. Moreover, the role of hypertension-related changes of arterial structure and function (stiffness and wave reflection) on arterial load and how ventricular-vascular coupling modulates the process of left ventricular adaptation to hypertension are analysed.The different interplay between vascular bed and left ventricle emerges as the pathophysiological basis for the development of the multiple patterns of ventricular structural adaptatio…

Flow characteristics and dynamic responses of a parked straight‐bladed vertical axis wind turbine

2019

Abstract With the development of urbanization and the application of renewable energy, wind turbine is becoming an important approach for wind energy reservation and utilization. This study provides a numerical investigation on understanding the surface pressure distribution, flow characteristics and dynamic responses of a parked straight‐bladed vertical axis wind turbine (VAWT), which is helpful for its design. Together with the two‐way coupling method between simulation platforms such as STAR‐CCM+ and ABAQUS, the SST k‐ω turbulence model is used to obtain the surface pressure and surrounding flow of the VAWT, and the finite element method is used to obtain the dynamic responses of its str…

Neutral and oxidized triisopropylsilyl end-capped oligothienoacenes: a combined electrochemical, spectroscopic, and theoretical study.

2010

This work presents an analy- sis of the structural, electrochemical, and optical properties of a family of triisopropylsilyl end-capped oligothie- noacenes (TIPS-Tn-TIPS, n = 4-8) by combining cyclic voltammetry, spectro- scopic techniques, and quantum-chemi- cal calculations. TIPS-Tn-TIPS com- pounds form stable radical cations, and dications are only obtained for the lon- gest oligomers (n = 7 and 8). Oxidation leads to the quinoidization of the con- jugated backbone, from which elec- trons are mainly extracted. The absorp- tion and fluorescence spectra show par- tially resolved vibronic structures even at room temperature, due to the rigid molecular geometry. Two well-resolved vibronic p…