Electric‐Field Effects on Trimeric Mixed‐Valence Clusters

Klokishner, Sophia; Roman, Marianna A.; Reu, Oleg S.

doi:10.1002/ejic.201402218

Cited by 9 publications

(10 citation statements)

References 36 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Among the different classes of electrically switchable systems, mixed-valence (MV) magnetic metal clusters − are especially attractive and promising because of the presence of mobile electrons or holes in their structures. Such mobile charges can be polarized by the electric field and, moreover, in many specific cases field-induced polarization proves to be spin-dependent because of the strong correlation between the charge and spin degrees of freedom.…”

Section: Introductionmentioning

confidence: 99%

Electric Field Control of Spin States in Trigonal Two-Electron Quantum Dot Arrays and Mixed-Valence Molecules: I. Electronic Problem

et al. 2018

View full text Add to dashboard Cite

In the context of our studies of the electric field control over stimuli-responsive molecular materials, in this article, we report a detailed theoretical analysis of the electric field control of the spin states, magnetic properties, and charge distributions in the trigonal trimeric systems comprising a pair of mobile electrons or holes. Such systems are exemplified by “physical” molecules composed of semiconductor quantum dots accommodating unpaired electrons as well as by proper chemical systems representing trigonal trimeric mixed-valence clusters in which the two mobile electrons are delocalized over three spinless cores. In part I of the paper, we consider the electronic interactions (inter- and intrasite Coulomb repulsion, electron transfer, and Stark interaction) in quantum dot arrays and mixed-valence molecules, whereas part II deals with the vibronic approach in which the interaction between the mobile electrons and the molecular vibrations is taken into account as well. A complicated interplay between the electron transfer and the localizing effect of the field is shown to result in a series of interesting magnetic effects. We demonstrate this by changing the magnitude of the electric field and/or its orientation with respect to the axes of the system, one can reach an efficient electric field control over the magnetic and electric properties of the considered systems. Particularly, under some conditions (described in the paper), the electric field of attainable strength is shown to induce spin switching from the ground state possessing the spin S = 1 to that with S = 0. Such a possibility to control the spin states of single molecules and analogous systems using an external electric field is of current interest for molecular spintronics.

show abstract

Section: Introductionmentioning

confidence: 99%

Electric Field Control of Spin States in Trigonal Two-Electron Quantum Dot Arrays and Mixed-Valence Molecules: I. Electronic Problem

et al. 2018

View full text Add to dashboard Cite

show abstract

“…The change in the magnetic state under the action of external stimuli in the mentioned compounds manifests itself not only in the observed static magnetic characteristics such as temperature dependence of the magnetic susceptibility and field dependence of magnetization but also in the spectroscopic characteristics, thus leading to the blue or to the red shift of the positions of charge transfer bands and those arising from d–d transitions. Among the systems with labile electronic states, the most pronounced changes in the magnetic and spectroscopic characteristics under the action of external stimuli can be demonstrated by mixed valence systems, − cobalt valence-tautomeric compounds, ,, spin crossover iron(II) compounds, iron cobalt bi- and polynuclear compounds exhibiting metal-to-metal charge transfer, − , and photochromic systems…”

Section: Introductionmentioning

confidence: 99%

Modeling of Electron Transfer in a Linear Trinuclear Fe–Co–Fe Complex: Magnetic and Polarizability Properties

Ostrovsky

Klokishner

2020

J. Phys. Chem. A

View full text Add to dashboard Cite

“…A static electric field can also significantly change the critical temperature of the valence tautomeric interconversion, and this was demonstrated for cobalt complexes by Drogetti and Sanvito . The manifestations of external static electric fields in the magnetic and polarizability properties of dimeric and trimeric mixed valence (MV) clusters have been studied. , The electronic structure and magnetic properties under an electric field in the MV dimer complex [(PY5Me 2 ) 2 V 2 (μ-5,6-dmbzim)] 4+ have been investigated in ref by the density functional theory (DFT) and effective Hamiltonian methods. In refs and it has been shown that a constant electric field may significantly affect not only the magnetic but also the spectroscopic characteristics of the compounds demonstrating electron transfers of the type of metal–metal or ligand–metal that take place in crystals containing cyanide-bridged iron–cobalt clusters and isolated valence tautomeric molecules, respectively.…”

Section: Introductionmentioning

confidence: 99%

Electric Field Effects on Magnetic and Polarizability Properties of Clusters with Two-Electron Transfer

Roman

Klokishner

2018

J. Phys. Chem. A

View full text Add to dashboard Cite

A possibility to manipulate the magnetic and polarizability characteristics of systems containing mobile electrons by means of external fields opens new perspectives for molecular electronics. From this point of view mixed valence clusters d 1 −d 3 with two-electron transfer are a challenging subject, since under the action of the constant external electric field, it is possible not only to manipulate with the spin of the ground state of the cluster and, consequently, with its magnetic properties but also to produce a pronounced significant polarizability due to the suppression of the twoelectron tunneling by this field. The intracluster Heisenberg exchange interaction, the difference in Coulomb interaction for possible cluster configurations, and the coupling with an external electric field are taken into consideration in the model, which predicts spin transitions that are induced by this field and accompanied by appreciable changes in the magnetic properties and polarizability.

show abstract

Electric‐Field Effects on Trimeric Mixed‐Valence Clusters

Cited by 9 publications

References 36 publications

Electric Field Control of Spin States in Trigonal Two-Electron Quantum Dot Arrays and Mixed-Valence Molecules: I. Electronic Problem

Electric Field Control of Spin States in Trigonal Two-Electron Quantum Dot Arrays and Mixed-Valence Molecules: I. Electronic Problem

Modeling of Electron Transfer in a Linear Trinuclear Fe–Co–Fe Complex: Magnetic and Polarizability Properties

Electric Field Effects on Magnetic and Polarizability Properties of Clusters with Two-Electron Transfer

Contact Info

Product

Resources

About