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Zeitschriftenartikel:

F. Eder, M. Kriegisch, W. Linert:
"Mean field modeling of Fe(II) Spin Crossover systems in a magnetic field";
MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY, 66 (2011), S. 163 - 175.



Kurzfassung englisch:
The modeling of Spin Crossover systems with a special focus on molecular vibrations and on the effect of a magnetic field is developed and discussed. Two different theoretical models are applied, namely: a thermodynamic model and an Ising like model including molecular vibrations. A combination two already existing Ising like models - one including the effect of an external magnetic field and the other taking molecular vibrations into account - is outlined and discussed. In all calculations a field dependency of the Spin Crossover transition temperature 1/2 T is evident. An external magnetic field induces a downward shift of 1/2 T . This corresponds to results of high magnetic field experiments and thermal expansion measurements

Schlagworte:
Ising model, Mean field approximation, Spin-Crossover


Elektronische Version der Publikation:
http://publik.tuwien.ac.at/files/PubDat_197380.pdf


Erstellt aus der Publikationsdatenbank der Technischen Universitšt Wien.