Microscopic theory of cooperative spin crossover in polynuclear cluster compounds. Application to FeII4 square complexes
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Nuclear physics. Atomic physics. Molecular physics (86)
Physical chemistry (481)
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OSTROVSKY, Sergei M., PALII, Andrew, DECURTINS, Silvio, LIU, Shi-Xia, KLOKISHNER, Sophia I.. Microscopic theory of cooperative spin crossover in polynuclear cluster compounds. Application to FeII4 square complexes. 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. 58.
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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

Microscopic theory of cooperative spin crossover in polynuclear cluster compounds. Application to FeII4 square complexes

CZU: 539.1+544

Pag. 58-58

Ostrovsky Sergei M.1, Palii Andrew12, Decurtins Silvio3, Liu Shi-Xia3, Klokishner Sophia I.1
 
1 Institute of Applied Physics,
2 Institute of Problems of Chemical Physics, Russian Academy of Sciences,
3 University of Bern
 
Disponibil în IBN: 15 ianuarie 2019


Rezumat

The spin crossover (SCO) phenomenon attracts broad current interest due to the wide range of potential applications in molecular electronics and spintronics and it is in the focus of many experimental and theoretical studies. For practical applications an important requirement for the spin transition is the presence of a wide hysteresis loop in the vicinity of room temperature. With this in mind, researchers turned their interest to polynuclear SCO compounds. In the present contribution a new microscopic approach to the problem of cooperative SCO in molecular crystals containing polynuclear complexes with an arbitrary number of SCO ions as structural units has been developed. The cooperative interaction between spin crossover ions in the whole crystal arises from the coupling of the molecular mode to the acoustic phonons. The interaction between ions in the same cluster is also taken into account in the model in order to explain the multistep structure of the spin transformation earlier not observed in mononuclear molecular crystals. The developed general approach is adapted to the case of tetranuclear square complexes. The effect of the intracluster interactions on the type of spin transition is analyzed. The applicability of the developed approach is illustrated by the interpretation of the experimental data on spin transition in the tetranuclear [Fe(tpa){N(CN)2}]4*(BF4)4*(H2O)2 cluster compound [1]. The theory well reproduces the observed two step spin transition with the plateau between steps corresponding to cluster configuration with 2 high spin Fe ions located along the diagonal of the square.