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Structure‐Driven Orientation of the High‐Spin–Low‐Spin Interface in a Spin‐Crossover Single Crystal
Author(s) -
Sy Mouhamadou,
Varret François,
Boukheddaden Kamel,
Bouchez Guillaume,
Marrot Jérôme,
Kawata Santoshi,
Kaizaki Sumio
Publication year - 2014
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201403971
Subject(s) - condensed matter physics , materials science , spin crossover , spin (aerodynamics) , tilt (camera) , orientation (vector space) , thermal , crystallography , physics , chemistry , thermodynamics , geometry , mathematics
The orientation of the high‐spin (HS)–low‐spin (LS) macroscopic interface at the thermal transition of thin [{Fe(NCSe)(py) 2 } 2 (m‐bpypz)] crystals is explained by considering the possible vanishing of the structural mismatch between the coexisting phases. The structural property which allows mismatch‐free interfaces is characterized. The observed orientations of the interface and the tilt angle between the HS and LS domains are accurately reproduced by a two‐dimensional continuous medium model, based on the structural data. Simulations using an atomistic electro‐elastic model meet the predictions of the macroscopic analysis and provide information on the distribution of the elastic energy density in the biphasic state. The presence of mismatch‐free domain structures can explain the exceptional resilience of these crystals upon repeated switching.