2016/09/04 by Hrishit Banerjee, Banerjee, Hrishit, Sudip Chakraborty +4
Chemistry · Engineering · Materials Science · Physics and Astronomy · #Cationic polymerization #Chemical physics #Chemistry #Condensed matter physics #Crystallography #FOS: Physical sciences #Formate #Hydrostatic pressure #Hysteresis #Inorganic chemistry #Magnetism in coordination complexes #Materials Science (cond-mat.mtrl-sci) #Materials science #Metal-Organic Frameworks: Synthesis and Applications #Organic chemistry #Perovskite Materials and Applications #Phase transition #Physics #Spin crossover #Spin states #Spin transition #Thermodynamics #Transition metal #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.1609.01020
published in arXiv (Cornell University) (Cornell University) · 16 pages
openalex publication_date 2016/09/04 · arxiv created 2016/09/05 · arxiv updated 2016/09/06 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/04
Hybrid or metal organic framework (MOF) perovskites of general composition,\nABX3, are known to show interesting properties which can lead to variety of\ntechnological applications. Our first principles study shows they are also\npotential candidates for exhibiting cooperative spin-state transitions upon\napplication of external stimuli. We demonstrate this by considering two\nspecific Fe-based MOF perovskites, namely Dimethylammonium Iron Formate,\n[CH3NH2CH3][Fe(HCOO)3] and Hydroxylammonium Iron Formate,\n[NH3OH][Fe(HCOO)3]. Both the compounds are found to undergo high-spin\n(S=2) to low-spin (S=0) transition at Fe(II) site upon application of moderate\nstrength of hydrostatic pressure, along with large hysteresis. This spin-state\ntransition is signaled by the changes in electronic, magnetic and optical\nproperties. We find both the transition pressure and the width of the\nhysteresis to be strongly dependent of the choice of A-site cation,\nDimethylammonium or Hydroxylammonium, implying tuning of spin-switching\nproperties achievable by chemical variation of the amine cation in the\nstructure. Our finding opens up novel functionalities in this family of\nmaterials of recent interest, which can have important usage in sensors and\nmemory devices.\n