4.5 Article Proceedings Paper

Monte Carlo simulations for 1-and 2D spin crossover compounds using the atom-phonon coupling model

期刊

POLYHEDRON
卷 28, 期 9-10, 页码 1684-1687

出版社

PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.poly.2008.10.053

关键词

Spin crossover; First order phase transition; Atom-phonon coupling

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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. (C) 2008 Elsevier Ltd. All rights reserved.

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