Monte Carlo simulations for 1- and 2D spin crossover compounds using the atom–phonon coupling model |
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| Authors: | Aurelian Rotaru Adrian Carmona Flavien Combaud Jorge Linares Alexandru Stancu Jamil Nasser |
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| Institution: | 1. “Groupe d’Etude de la Matière Condensée” (GEMaC), CNRS-UMR 8635, UVSQ, 78035 Versailles Cedex, France;2. Faculty of Physics, Department of Physics, Alexandru Ioan Cuza University, Iasi, Bdul Carol I, nr 11, 6600, Romania;3. Laboratoire LISV, Université de Versailles St. Quentin, 45 Av. des Etats-Unis, 78035 Versailles Cedex, France |
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| Abstract: | In this contribution we have simulated, using the Monte Carlo–Metropolis technique, the thermal behavior of an one dimensional and of a square lattice spin crossover system.In the one dimensional case, a long-range interaction parameter must be included in order to obtain a thermal hysteresis. For the square lattice we have tacked into account the nearest as well the next-nearest neighbors. We show the role of the elastic constant ratio on the hysteresis width. |
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