title: Monte Carlo simulation of pressure-induced phase transitions in spin-crossover materials.
abstract: Pressure-induced phase transitions of spin-crossover materials are studied in a microscopic model taking into account the elastic interaction among distortions of lattice due to the difference of the molecular sizes between the high-spin state and the low-spin state. We perform Monte Carlo simulations in the constant pressure ensemble and reproduce several important properties of the pressure effect in a unified way with a microscopic mechanism for the first time. The simulation newly reveals how the temperature dependence of the ordering process changes with the pressure.
authors: Department of Physics, The University of Tokyo, Hongo 7-3-1, Bunkyo-ku, Tokyo 113-8656, Japan.
authors: Yusuké
authors: Y
authors: Konishi
authors: Hiroko
authors: H
authors: Tokoro
authors: Masamichi
authors: M
authors: Nishino
authors: Seiji
authors: S
authors: Miyashita