Physics – Condensed Matter – Strongly Correlated Electrons
Scientific paper
2007-06-28
Phys. Rev. Lett. 98, 247203 (2007)
Physics
Condensed Matter
Strongly Correlated Electrons
4 pages, 4 figures
Scientific paper
10.1103/PhysRevLett.98.247203
We study the origin of the cooperative nature of spin crossover (SC) between low spin (LS) and high spin (HS) states from the view point of elastic interactions among molecules. As the size of each molecule changes depending on its spin state, the elastic interaction among the lattice distortions provides the cooperative interaction of the spin states. We develop a simple model of SC with intra and intermolecular potentials which accounts for the elastic interaction including the effect of the inhomogeneity of the spin states, and apply constant temperature molecular dynamics based on the Nos\'e-Hoover formalism. We demonstrate that, with increase of the strength of the intermolecular interactions, the temperature dependence of the HS component changes from a gradual crossover to a first-order transition.
Boukheddaden Kamel
Konishi Yusuke
Miyashita Seiji
Nishino Masamichi
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