Microscopic Approach to the Problem of Cooperative Spin Crossover in Tetranuclear Cluster Compounds

Ostrovsky Sergei M.; Palii Andrew; Reu Oleg; Tsukerblat Boris S.; Liu Shi-Xia; Decurtins Silvio; Klokishner Sophia I.

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2021-11-29 15:01

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OSTROVSKY, Sergei M., PALII, Andrew, REU, Oleg, TSUKERBLAT, Boris S., LIU, Shi-Xia, DECURTINS, Silvio, KLOKISHNER, Sophia I.. Microscopic Approach to the Problem of Cooperative Spin Crossover in Tetranuclear Cluster Compounds. In: Multidisciplinarity in Modern Science for the Benefit of Society, 21-22 septembrie 2017, Chișinău. Chișinău, Republica Moldova: Inst. de Fizică Aplicată, 2017, p. 29. ISBN 978-9975-9787-1-2.

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Multidisciplinarity in Modern Science for the Benefit of Society 2017

Masa rotundă "Multidisciplinarity in Modern Science for the Benefit of Society"
Chișinău, Moldova, 21-22 septembrie 2017

Microscopic Approach to the Problem of Cooperative Spin Crossover in Tetranuclear Cluster Compounds

Pag. 29-29

Ostrovsky Sergei M.¹, Palii Andrew¹, Reu Oleg¹, Tsukerblat Boris S.², Liu Shi-Xia³, Decurtins Silvio³, Klokishner Sophia I.¹

¹ Institute of Applied Physics, Academy of Sciences of Moldova,
² Ben-Gurion University of the Negev,
³ University of Bern

Disponibil în IBN: 16 martie 2018

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A new generalized microscopic approach to the problem of cooperative spin crossover in molecular crystals containing tetranuclear square clusters as structural units has been elaborated. For the first time in the framework of the developed approach there are taken into account two types of cooperative intercluster interactions inherent to systems demonstrating spin crossover and, namely, (i) the electron-deformational interaction responsible for the macroscopic deformation that appears under the transition of the d-electrons of the metal ion from the t2-shell to the e-shell and (ii) the interaction arising from the coupling of the local modes to the acoustic phonons. The model also takes into account the Coulomb interaction between the spin crossover ions in the ls-ls, ls-hs and hshs – states (ls - low spin, hs - high spin) and makes a difference between the interaction of these ions located on the diagonal or rib of the square. Within the framework of the suggested approach the experimental data on spin transitions in the compound [Fe(tpa){N(CN)2}]4.(BF4)4 and its hydrated form [Fe(tpa){N(CN)2}]4.(BF4)4 .(H2O)2 have been successfully interpreted.

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