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Pressure and temperature induced high spin–low spin phase transition: Macroscopic and microscopic consideration |
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| Institution: | 1. Department of Physics, College of Science, King Khalid University, P.O. Box 9004, Abha 61413, Saudi Arabia;2. Department of Physics, Manav Rachna College of Engineering, Faridabad, Haryana 121001, India;3. CSIR-National Physical Laboratory, New Delhi 110012, India;4. Department of Physics, Motilal Nehru National Institute of Technology, Allahabad, India;1. Laboratoire des Interfaces et des Matériaux avancés (LIMA), Université de Monastir, Faculté des Sciences de Monastir. Bd de l׳Environnement, 5019 Monastir, Tunisia;2. Laboratoire de Micro-Optoélectronique et Nanostructures (LMON), Faculté des Sciences de Monastir, Avenue de l׳environnement 5019 Monastir, Tunisia;1. Department of Applied Chemistry and Biochemical Engineering, Graduate School of Engineering, Shizuoka University, 3-5-1, Johoku, Naka-ku, Hamamatsu, Shizuoka 432-8561, Japan;2. School of Bioscience and Biotechnology, Tokyo University of Technology, 1404 Katakura-machi, Hachioji, Tokyo 192-0982, Japan;1. Department of Mechanical Engineering, Tokyo City University, 1-28-1 Tamazutsumi, Setagaya-ku, Tokyo, Japan;2. Advanced Research Laboratory, Tokyo City University, 8-15-1 Todoroki, Setagaya-ku, Tokyo, Japan |
| Abstract: | The behavior under pressure of the high spin–low spin phase transition in the coordination compounds containing 3d ions is analyzed using thermodynamic and microscopic approaches. For thermodynamic approach the mean field model with interactions between spin-crossover molecules is considered. Microscopic model takes into account the interaction of d electrons of the transition metal ions with full symmetric distortions of the ligands. The relationship of the thermodynamic interaction parameters with microscopic ones is installed and shown how the quantum–mechanical interactions form the cooperativity of the system. Within the microscopic model the temperature and pressure dependences of the high spin fraction in 2-D compounds {Fe(3-Fpy)2M(CN)4]} (M=Pd, Pt) are simulated and microscopic parameters are evaluated. It is concluded that different experimental behaviors of the temperature and pressure induced spin transitions are determined by different variations of the inelastic and elastic energies under pressure, and vibrational component of the free energy drives the ST equally with electronic part. |
| Keywords: | C High pressure A Spin crossover complex D Elastic interactions D Microscopic model D HL phase transition |
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