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Invited researcher Palii Andrey Vladimirovich
Contract number
14.W03.31.0001
Time span of the project
2017-2021

As of 30.01.2020

23
Number of staff members
5
scientific publications
General information

Name of the project: Design and research of new single-molecule/single-ion magnets and switchable molecular magnetic systems that are prospective for applications as safe qubits, monomoleqular multiferroics, molecular quantum cellular automata and nanoelement for spintronics

Strategy for Scientific and Technological Development Priority Level: а


Goals and objectives

Research directions:

- Development and research of new single-molecule/single-ion magnets and switchable molecular magnetic systems, single-molecule multiferroics, molecular quantum cellular automates and nanoelements for spintronics

- Search of highly efficient methods to synthesize single-molecule/single-ion magnets and switchable molecular magnetic systems

- Theoretical modeling a research of the main mechanisms that are the basis of single-molecule/single-ion magnets and switchable molecular magnetic systems and qualities of synthesized complexes

- Developing criteria for rational design of new single-molecule/single-ion magnets and switchable molecular magnetic systems suitable for practical application in molecular electronics and spintronics

Project objective: Creating a new generation of single ion magnets and prospective molecular magnetic systems and finding main mechanisms that lie in the basis of single-molecule/single-ion magnetic and switchable molecular magnetic qualities


The practical value of the study

  • We have synthesized and closely studied six-coordinated high spin Co(II) ion complex, showing qualities single ion magnets. On the basis of this research we have determined main relaxation mechanisms responsible for single ion magnetic qualities of those systems and developed criteria of rational design of single ion magnets with improved characteristics.
  • We have found a correlation between the close coordination environment of cobalt ions and duration of spin-lattice relaxation. This result contributes significantly to development of a region of single molecule magnetism and bring us closer to creating functional magnetic nanomaterials based on nanomolecular magnets.
  • Our researchers have reliably shown that mixed valence molecular system display magnetoelectric effect and therefore such systems are single molecule analogues of multiferroics. We have developed electron and vibron models of such system. In particular, we have determined mechanisms of electric field control of antiferromagnetic exchange and quantum entanglement in triferrocene complexes and reduced polyoxometalate as well as electric field control of indirect magnetic interaction between localized spins by a delocalized electron. We have proven the decisive contribution of vibron interaction to increase of efficiency of electric field control.
  • We have proven possibility of synthesizing spin switch induced by electric field in trigonal two-electron trimers of mixed valence.
  • Our researchers have determined the mechanism of two-stage spin transition in molecular magnetic systems based on molecular crystals containing multinuclear complexes as structural units. These results are important for solving applied tasks of molecular electronics and spintronics, in particular, for creating molecular quantum logical gate and magnetic switches.
  • We have developed an effective computational approach to solving multimode dynamic vibron problems rising in molecular multiferroicss and switchable molecular magnetic systems based on complex multinuclear clusters of mixed valence.
  • Our Laboratory has created the VIBPACK software package for quantitative computation of energy spectrum of energy spectrum of spin-vibron states as well as magnetic and optical qualities of switchable molecular magnetic systems. After the creation of this software the main problem restricting possibilities of describing qualities of switchable molecular magnetic systems based on mixed valence clusters has been eliminated.

Implemented results of research:

The obtained scientific results are fundamental and bring a significant contribution to creation of molecular electronics, spintronics and quantum computing.

Education and career development:

  • We have created the «Basics of Molecular Magnetism» course that has been implemented at the Faculty of Fundamental Physical and Chemical Engineering of the Moscow State University.
  • The Laboratory is conducting training of postgraduates and undergraduates.

Collaborations:

University of Valencia (Spain), Ben-Gurion University of the Negev (Israel), Kazan Federal University (Russia): joint scientific research

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Korchagin D.V., Palii A.V., Yureva E.A., Akimov A.V., Misochko E.Ya., Shilov G.V., Talantsev A.D., Morgunov R.B., Shakin A.A., Aldoshin S.M., Tsukerblat B.S.
Evidence of Field Induced Slow Magnetic Relaxation in cis-[Co(hfac)2(H2O)2] Exhibiting Tri-Axial Anisotropy with a Negative Axial Component. Dalton Transactions 46(23): 7540–7548 (2017).
Palii A., Aldoshin S., Tsukerblat B., Borràs-Almenar J.J., Clemente-Juan J.M., Cardona-Serra S., Coronado E.
Electric Field Generation and Control of Bipartite Quantum Entanglement between Electronic Spins in Mixed Valence Polyoxovanadate [GeV14O40]8-. Inorganic Chemistry 56(16): 9547−9554 (2017).
Palii A., Tsukerblat B., Aldoshin S., Clemente-Juan J. M., Coronado E.
Electrically switchable magnetic exchange in the vibronic model of linear mixed valence triferrocenium complex. Dalton Transactions 47(34): 11788–11805 (2018).
Palii A., Tsukerblat B., Klokishner S., Aldoshi S., Korchagin D., Clemente-Juan J. M.
Electric Field Control of Spin States in Trigonal Two-Electron Quantum Dot Arrays and Mixed Valence Molecules: I. Electronic Problem, Journal of Physical Chemistry C 123(4): 2451–2459 (2019).
Palii A., Tsukerblat B., Klokishner S., Aldoshin S., Korchagin D., Clemente-Juan J. M.
Electric Field Control of Spin States in Trigonal Two-Electron Quantum Dot Arrays and Mixed Valence Molecules: II. Vibronic Problem, Journal of Physical Chemistry C 123(4): 2460–2473 (2019).
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