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Cluster evolution in molecular three-dimensional spin-crossover systems

Publié dansPhysical Review. B, Condensed Matter, vol. 96, no. 6, 064115
Date de publication2017
Résumé

The nucleation and growth properties of domains of molecules of the same state in open boundary three-dimensional (3D) spin-crossover systems of various shapes are discussed within the framework of the mechanoelastic model. The molecules are situated on face-centered-cubic lattices and are linked by springs through which they interact. Monte Carlo simulations imply that clusters nucleate from corners in the case of systems having well-developed faces and from kinks in the case of spherical samples, in accordance with available experimental data. In addition, a method to characterize the cooperativity in these systems is proposed, which by scanning the fluctuations in the 3D samples can be related directly to powder x-ray-diffraction experiments.

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Citation (format ISO)
STOLERIU, Laurentiu et al. Cluster evolution in molecular three-dimensional spin-crossover systems. In: Physical Review. B, Condensed Matter, 2017, vol. 96, n° 6, p. 064115. doi: 10.1103/PhysRevB.96.064115
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ISSN du journal1098-0121
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Création24/10/2017 15:53:00
Première validation24/10/2017 15:53:00
Heure de mise à jour15/03/2023 02:11:37
Changement de statut15/03/2023 02:11:37
Dernière indexation17/01/2024 01:04:25
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