research-article

Simulation of Magnetic Resonance Spectrum of Dipolar Coupled Electronic System

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Xudong LvAuthors Info & Claims

ICCMS '19: Proceedings of the 11th International Conference on Computer Modeling and Simulation

Pages 60 - 65

https://doi.org/10.1145/3307363.3307373

Published: 16 January 2019 Publication History

Abstract

Magnetic resonance spectroscopy is one of the most powerful spectroscopic tools for obtaining detailed information about molecular structure. It has also served as a remarkable tool for exploring quantum phenomena in large spin ensembles. The electronic spin ensemble corresponding to diamond defects can be manipulated and characterized by Electron Paramagnetic Resonance (EPR), while the lack of fully understand the magnetic resonance spectrum has motivated a simulation of the electronic system. Dipolar coupled spin-1/2 particles in diamonds form a prototypical many-body system and indeed many-body effects could be observed in magnetic resonance spectroscopy. We simulated many-body resonance spectrum of dipolar coupled electronic system to explore the impact of different conditions on EPR spectroscopy, and then obtained an insight of Hamiltonian and energy levels change of the system in magnetic field. Our simulation reveals the relationship between the spectrum line-width and electronic structure density and location homogeneity in diamond. Our work paves a way to better understanding of many-body resonance of electronic dipolar coupling system.

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Cited By

Akbari MZand ZAleshkevych PJagličić ZNajafpour M(2022)Finding the True Catalyst for Water Oxidation at Low Overpotential in the Presence of a Metal ComplexInorganic Chemistry10.1021/acs.inorgchem.2c0011161:8(3801-3810)Online publication date: 18-Feb-2022
https://doi.org/10.1021/acs.inorgchem.2c00111
Salmanion MKondov IVandichel MAleshkevych PNajafpour M(2022)Surprisingly Low Reactivity of Layered Manganese Oxide toward Water Oxidation in Fe/Ni-Free Electrolyte under Alkaline ConditionsInorganic Chemistry10.1021/acs.inorgchem.1c0366561:4(2292-2306)Online publication date: 14-Jan-2022
https://doi.org/10.1021/acs.inorgchem.1c03665

Index Terms

Simulation of Magnetic Resonance Spectrum of Dipolar Coupled Electronic System

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cover image ACM Other conferences

ICCMS '19: Proceedings of the 11th International Conference on Computer Modeling and Simulation

January 2019

253 pages

ISBN:9781450366199

DOI:10.1145/3307363

Copyright © 2019 ACM.

Permission to make digital or hard copies of all or part of this work for personal or classroom use is granted without fee provided that copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. Copyrights for components of this work owned by others than the author(s) must be honored. Abstracting with credit is permitted. To copy otherwise, or republish, to post on servers or to redistribute to lists, requires prior specific permission and/or a fee. Request permissions from [email protected].

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University of Wollongong, Australia
College of Technology Management, National Tsing Hua University, Taiwan
Swinburne University of Technology
University of Technology Sydney

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Association for Computing Machinery

New York, NY, United States

Publication History

Published: 16 January 2019

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ICCMS 2019

ICCMS 2019: The 11th International Conference on Computer Modeling and Simulation

January 16 - 19, 2019

QLD, North Rockhampton, Australia

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Cited By

Akbari MZand ZAleshkevych PJagličić ZNajafpour M(2022)Finding the True Catalyst for Water Oxidation at Low Overpotential in the Presence of a Metal ComplexInorganic Chemistry10.1021/acs.inorgchem.2c0011161:8(3801-3810)Online publication date: 18-Feb-2022
https://doi.org/10.1021/acs.inorgchem.2c00111
Salmanion MKondov IVandichel MAleshkevych PNajafpour M(2022)Surprisingly Low Reactivity of Layered Manganese Oxide toward Water Oxidation in Fe/Ni-Free Electrolyte under Alkaline ConditionsInorganic Chemistry10.1021/acs.inorgchem.1c0366561:4(2292-2306)Online publication date: 14-Jan-2022
https://doi.org/10.1021/acs.inorgchem.1c03665

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