Atomic Clock Based on Endohedral Fullerene NO@C60: Determination of Electron Paramagnetic Resonance (EPR) Parameters

reportActive / Technical Report | Accesssion Number: AD1189568 | Open PDF

Abstract:

The goal of this study was to apply density functional theory (DFT) to determine if a nitric oxide (NO) radical encapsulated in a 60-carbon (C60) fullerene, endohedral fullerene NO@C60, is a suitable candidate for the development of portable condensed-matter, molecular atomic clocks. In order to assess the potential of NO@C60 to function as an accurate and reliable frequency standard, electron paramagnetic resonance (EPR) parameters (hyperfine coupling constant and electronic g-factor) were calculated using the DFT method.

Author(s):
Miller, Michael E.
Author Organization(s):
DEVCOM AC, METC, FCDD-ACM-AP
Funding Organization(s):
DEVCOM AC, ESIC, FCDD-ACE-K, Picatinny Arsenal , NJ
Document Type:
Technical Report/Final Report
Publication Date:
2022 Jan 01
Pagination:
34

Security Markings

DOCUMENT & CONTEXTUAL SUMMARY

Distribution Code:
A - Approved For Public Release
Distribution Statement: Public Release

RECORD

Collection: TRECMS
Identifying Numbers
Report Number(s):
ARMET-TR-21050
Subject Terms
Modernization Areas:
Quantum Science and Computing
Communities of Interest:
Energy and Power Technologies
Descriptor(s):
magnetic fields, paramagnetic resonance, spin-orbit interaction, density functional theory, electron paramagnetic resonance, free radicals, free electrons, fullerenes, magnetic properties, quantum properties, subatomic particles, angular momentum, atomic clocks, electron spin resonance, electrons, frequency, magnetic dipoles
Keyword(s):
Atomic clock Electron paramagnetic resonance EPR Electron spin resonance C60 NO@C60 Endohedral fullerene Density functional theory DFT Hyperfine coupling constant Electronic g-factor
Creation Date:
2023 Jan 09
Update Date:
2023 Jan 09