Spin transition accompanied by the appearance of macroscopic polarization in the {[FeTp(CN)3]2Co(Meim)4}·6H2O complex
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539.2:544 (3)
Properties and structure of molecular systems (222)
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OSTROVSKY, Sergei M., KLOKISHNER, Sophia I.. Spin transition accompanied by the appearance of macroscopic polarization in the {[FeTp(CN)3]2Co(Meim)4}·6H2O complex. In: Materials Science and Condensed Matter Physics, Ed. 9, 25-28 septembrie 2018, Chișinău. Chișinău, Republica Moldova: Institutul de Fizică Aplicată, 2018, Ediția 9, p. 78.
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Materials Science and Condensed Matter Physics
Ediția 9, 2018
Conferința "International Conference on Materials Science and Condensed Matter Physics"
9, Chișinău, Moldova, 25-28 septembrie 2018

Spin transition accompanied by the appearance of macroscopic polarization in the {[FeTp(CN)3]2Co(Meim)4}·6H2O complex

CZU: 539.2:544

Pag. 78-78

Ostrovsky Sergei M., Klokishner Sophia I.
 
Institute of Applied Physics
 
Disponibil în IBN: 16 ianuarie 2019


Rezumat

A theoretical microscopic model for the description of charge transfer induced spin transitions accompanied by the occurrence of macroscopic polarization in the crystal containing as a structural element trinuclear Fe-Co-Fe clusters has been developed. The model includes the following relevant processes and interactions: the electron transfer between the Fe and Co ions, the interaction of the Co ion with the total symmetric vibrations of the nearest ligand surrounding as well as cooperative interactions and, namely, the electron-deformational and dipole-dipole interactions. The first of these interactions arises from the macroscopic deformation induced by the transformation of the low-spin (ls) III ls Co ions into the high-spin (hs) II hs Co ions, while the second one is caused by the redistribution of the electronic density inside the cluster due to the electron transfer between the FeII and CoIII ions. For the compound under study the set of the electronic states originates from three configurations, namely, III ls Fe - III ls Co - II ls Fe , III ls Fe - II ls Co - III ls Fe and III ls Fe - II hs Co - III ls Fe . To reduce the problem of interacting clusters to the one cluster problem, the mean field approximation was employed. The effects of the main intra- and intercluster interactions in the spin transformation as well as in the magnetic and polarizability characteristics of the system were examined. Finally, the developed model was applied to the description of the spin transition in the {[FeTp(CN)3]2Co(Meim)4}·6H2O compound [1]. The experimental data on the variable temperature magnetic susceptibility are well interpreted. It was demonstrated that the spin transition in the compound under study is accompanied by the appearance of macroscopic polarization.  Experimental cT vs. T dependence for {[FeTp(CN)3]2Co(Meim)4}·6H2O (open circles [1]) and the theoretical curve calculated within the developed model. (b) Temperature dependence of the Z d order parameter that describes the macroscopic polarization.