Realization of the mean-field universality class in spin-crossover materials

Miyashita, Seiji; Konishi, Yu; Nishino, Masamichi; Tokoro, Hiroko; Rikvold, Per Arne

doi:10.1103/physrevb.77.014105

Cited by 123 publications

(130 citation statements)

References 55 publications

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“…However, it was shown that in an elastic model applied with periodic boundary conditions the domain growth is hindered. 24 Therefore, the use of open boundary conditions is a necessary requirement for obtaining macroscopic clusters. Recent works showed that in the elastic model with open boundary conditions the nucleation always starts from corners (very rarely from non-corner edge sites), either in rectangular or triangular lattices.…”

Section: Introductionmentioning

confidence: 99%

Shape effects on the cluster spreading process of spin-crossover compounds analyzed within an elastic model with Eden and Kawasaki dynamics

et al. 2015

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In this paper we study the growth properties of domains of low spin molecules in a high spin background in open boundary elliptically shaped spin crossover systems within the framework of the mechanoelastic model. The molecules are situated on a triangular lattice and are linked by springs, through which they interact. Elliptical shapes are chosen in order to allow an in-depth analysis of cluster shapes as a function of the local curvature at their starting point and the length of the interface between the two phases. Contrary to the case of rectangular and hexagonal shapes, where the clusters always start from corners, we find that for ellipses clusters nucleate from vertices, co-vertices or any other site. We apply and compare two kinds of dynamics, Edenlike and Kawasaki, in order to determine the stable shape of the clusters and the most probable starting points. We show that the wetting angle for small clusters is somewhat higher than π/2 and approaches this value only for large clusters. The stability of clusters is analyzed by comparing the Gibbs free energy to the elastic energy in the system and is discussed as a function of the cluster size, curvature of the starting place and temperature.

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Section: Introductionmentioning

confidence: 99%

Shape effects on the cluster spreading process of spin-crossover compounds analyzed within an elastic model with Eden and Kawasaki dynamics

et al. 2015

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“…At variance from these electronic models, the continuous medium model developed by Spiering [7] showed that an elastic interaction could as well give rise to the observed first-order transitions. More recently, discrete models based on deformable lattices [8][9][10][11][12][13][14][15][16] were introduced so as to mimic the spatio-temporal features revealed by optical microscopy investigations [17][18][19] for the nucleation and growth of the spin state phases at the thermal transition of SCO single crystals. They conciliate the continuous medium and discrete lattice approaches, with purely elastic interactions, so as to reproduce both lattice and spin transformations of the system.…”

Section: The Modelmentioning

confidence: 99%

Multistep Relaxations in a Spin-Crossover Lattice with Defect: A Spatiotemporal Study of the Domain Propagation

et al. 2016

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Abstract:We study the spatio-temporal formation and spreading of the low-spin state (LS) during the thermal spin transition and the cooperative relaxation of the photo-induced metastable high spin (HS) state at low temperature, in the presence of a structural defect. The model is made of a two-dimensional rectangular-shaped lattice with discrete spins coupled by springs. The investigations are performed for a perfect lattice and a lattice with a hole (simulating the defect) with a fixed size. We found that the presence of the defect affects the thermal equilibrium by reducing the size of the thermal hysteresis at the transition, although the transition temperature remains unchanged. The study of the low-temperature relaxation of the defect-free lattice from HS to LS state indicated the existence of three different regimes of the growth process: (i) a first regime of growth from one corner of the rectangle along the width, then followed by (ii) a second regime of longitudinal propagation at almost constant velocity, and (iii) a third rapid regime when the system feels the surface or the border of the crystal. When a hole is injected inside the lattice, it results in (i) the deformation of the HS/LS interface's shape when it approaches the defect position; and (ii) the slowing down of its propagation velocity. These results, which are in good agreement with available experimental data, are discussed in terms of elastic energy stored in the system during the relaxation process.

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“…When Δ and P are the values of the same order as occurs for Δ at the point of intersection Δ c , spin transitions from one state to another can be controlled by external influences such as temperature, pressure and light irradiation. Thus, the spin transition results from an interaction-induced interplay between the valence electrons on the ligands and d-electrons in the lower energy shells located near the Fe 2+ (3d 6 ) core [3]. These states are determinate numerical: S = 0 for diamagnetic LS state and S = 2 for paramagnetic HS state.…”

Section: Introductionmentioning

confidence: 99%

“…For the first time, the Ising-like model for treating nearest-neighbour interactions in spincrossover compounds was proposed Bouseksou et al [5]. This model was successful in simulating a transition of the steady state of the Fe(II) metal compounds [6][7][8][9][10][11]. Also, for these materials many efforts have been devoted to understand theoretically spin transition in phenomenological models [12][13][14].…”

Section: Introductionmentioning

confidence: 99%

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High-temperature expansion in self-consistent-field theory of spin-crossover compounds

Gudyma¹,

Daskal²

2011

Semicond. Phys. Quantum Electron. Optoelectron.

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Realization of the mean-field universality class in spin-crossover materials

Cited by 123 publications

References 55 publications

Shape effects on the cluster spreading process of spin-crossover compounds analyzed within an elastic model with Eden and Kawasaki dynamics

Shape effects on the cluster spreading process of spin-crossover compounds analyzed within an elastic model with Eden and Kawasaki dynamics

Multistep Relaxations in a Spin-Crossover Lattice with Defect: A Spatiotemporal Study of the Domain Propagation

High-temperature expansion in self-consistent-field theory of spin-crossover compounds

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