Quantum dynamics of Mn 2+ in dimethylammonium magnesium formate

Autor: J. J. G. M. van der Tol, N. S. Dalal, Michel Giorgi, Sylvain Bertaina, Maylis Orio, Jasleen K. Bindra
Přispěvatelé: Institut des Sciences Moléculaires de Marseille (ISM2), Aix Marseille Université (AMU)-École Centrale de Marseille (ECM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Florida State University [Tallahassee] (FSU), National High Magnetic Field Laboratory (NHMFL), Spectropôle - Aix Marseille Université (AMU SPEC), Aix Marseille Université (AMU)-Centre National de la Recherche Scientifique (CNRS), Institut des Matériaux, de Microélectronique et des Nanosciences de Provence (IM2NP), Aix Marseille Université (AMU)-Université de Toulon (UTLN)-Centre National de la Recherche Scientifique (CNRS), research infrastructure RENARD Grant No. IR-RPE CNRS 3443, CNRS PICS SomeTIME, NSF - DMR-1157490, Centre National de la Recherche Scientifique (CNRS)-Aix Marseille Université (AMU), Université de Toulon (UTLN)-Centre National de la Recherche Scientifique (CNRS)-Aix Marseille Université (AMU)
Jazyk: angličtina
Rok vydání: 2021
Předmět:
Phase transition
Materials science
Rabi cycle
Quantum dynamics
General Physics and Astronomy
FOS: Physical sciences
Zero field splitting
010402 general chemistry
01 natural sciences
Molecular physics
law.invention
Machine Learning
chemistry.chemical_compound
Condensed Matter::Materials Science
law
Phase (matter)
0103 physical sciences
electrin spin resonance
Physical and Theoretical Chemistry
Electron paramagnetic resonance
electron spin qubit
Condensed Matter - Materials Science
010304 chemical physics
EPR - Electron paramagnetic resonance
Materials Science (cond-mat.mtrl-sci)
0104 chemical sciences
Magnesium formate
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
Quantum coherence
chemistry
Density functional theory
[PHYS.COND.CM-SCE]Physics [physics]/Condensed Matter [cond-mat]/Strongly Correlated Electrons [cond-mat.str-el]
Zdroj: Journal of Chemical Physics
Journal of Chemical Physics, 2021, 154 (15), pp.154201. ⟨10.1063/5.0046984⟩
Journal of Chemical Physics, American Institute of Physics, 2021, 154 (15), pp.154201. ⟨10.1063/5.0046984⟩
ISSN: 0021-9606
1089-7690
Popis: Dimethylammonium magnesium formate, [(CH3)2NH2][Mg(HCOO)3] or DMAMgF, is a model used to study high temperature hybrid perovskite-like dielectrics. This compound displays an order–disorder phase transition at about 260 K. Using multifrequency electron spin resonance in continuous wave and pulsed modes, we herein present the quantum dynamics of the Mn2+ ion probe in DMAMgF. In the high temperature paraelectric phase, we observe a large distribution of the zero field splitting that is attributed to the high local disorder and further supported by density functional theory computations. In the low temperature ferroelastic phase, a single structure phase is detected and shown to contain two magnetic structures. The complex electron paramagnetic resonance signals were identified by means of the Rabi oscillation method combined with the crystal field kernel density estimation.
Databáze: OpenAIRE
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