Spin crossover in an elastic chain of exchange clusters beyond mean field approximation

Literature Information

Publication Date 2010-09-23
DOI 10.1039/C004287K
Impact Factor 3.676
Authors

Vitaly Morozov, Nikita Lukzen, Victor Ovcharenko


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Abstract

Exact analysis of spin crossover in infinite elastic chain of two-spin exchange clusters was performed theoretically beyond mean-field approximation. Statistical mechanics of the system was exactly calculated by means of the transfer matrix technique. A possibility of spin-Peierls-like magneto-structural transition in a one-dimensional chain was shown as a result of interrelation of spin and elastic subsystems of the chain. The importance of the boundary conditions for spin crossover to occur was shown. The smoothness of spin crossover depends on the parameters of chain elasticity and the crossover position on the temperature scale is defined by the dependence of exchange integral on the cluster deformation. The proposed model qualitatively describes the main scenario of spin crossover effect in the chain polymer heterospin complex of copper(II) hexafluoroacetylacetonate with methyl pyrazol-substituted nitronyl nitroxide containing two-spin exchange clusters.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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