Photoproduction of Loop Currents in Coronene Isomers Without Any Applied Magnetic Field
Applying an extended Peierls–Hubbard model to <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mi>π</mi></semantics></math></inline-formula> electrons in a coronene isomer, we investigate...
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2024-12-01
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| author | Jun Ohara Shoji Yamamoto |
| author_facet | Jun Ohara Shoji Yamamoto |
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| description | Applying an extended Peierls–Hubbard model to <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mi>π</mi></semantics></math></inline-formula> electrons in a coronene isomer, we investigate their ground-state properties and photoinduced dynamics with particular interest in possible loop current states. Once we switch on a static magnetic field perpendicular to the coronene disk, diamagnetic (diatropic) and paramagnetic (paratropic) loop currents appear on the rim circuit and inner hub, respectively. Besides this well-known homocentric two-loop current state, heterocentric multiloop current states can be stabilized by virtue of possible electron–lattice coupling. These multiloop current states generally have a larger diamagnetic moment than the conventional two-loop one, and hence it follows that coronene, or possibly polycyclic conjugated hydrocarbons in general, may become more aromatic than otherwise with their <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mi>π</mi></semantics></math></inline-formula> electrons being coupled to phonons. When we photoirradiate a ground-state coronene isomer without applying a static magnetic field, loop currents are induced in keeping with the incident light polarization. Linearly and circularly polarized lights induce heterocentric two-loop and multiloop currents, respectively, without and together with two homocentric loop currents of the conventional type, respectively. The heterocentric two-loop currents occur in a mirror-symmetric manner, which reads as the emergence of a pair of antiparallel magnetic moments, whereas the heterocentric multiloop ones appear at random in both space and time, which reads as the emergence of disordered local magnetic moments. |
| format | Article |
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| spelling | doaj-art-893d8cd8d2724cc0b29f03cf5045b1212025-08-20T02:57:18ZengMDPI AGSolids2673-64972024-12-015464065010.3390/solids5040043Photoproduction of Loop Currents in Coronene Isomers Without Any Applied Magnetic FieldJun Ohara0Shoji Yamamoto1Department of Physics, Hokkaido University, Sapporo 060-0810, JapanDepartment of Physics, Hokkaido University, Sapporo 060-0810, JapanApplying an extended Peierls–Hubbard model to <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mi>π</mi></semantics></math></inline-formula> electrons in a coronene isomer, we investigate their ground-state properties and photoinduced dynamics with particular interest in possible loop current states. Once we switch on a static magnetic field perpendicular to the coronene disk, diamagnetic (diatropic) and paramagnetic (paratropic) loop currents appear on the rim circuit and inner hub, respectively. Besides this well-known homocentric two-loop current state, heterocentric multiloop current states can be stabilized by virtue of possible electron–lattice coupling. These multiloop current states generally have a larger diamagnetic moment than the conventional two-loop one, and hence it follows that coronene, or possibly polycyclic conjugated hydrocarbons in general, may become more aromatic than otherwise with their <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mi>π</mi></semantics></math></inline-formula> electrons being coupled to phonons. When we photoirradiate a ground-state coronene isomer without applying a static magnetic field, loop currents are induced in keeping with the incident light polarization. Linearly and circularly polarized lights induce heterocentric two-loop and multiloop currents, respectively, without and together with two homocentric loop currents of the conventional type, respectively. The heterocentric two-loop currents occur in a mirror-symmetric manner, which reads as the emergence of a pair of antiparallel magnetic moments, whereas the heterocentric multiloop ones appear at random in both space and time, which reads as the emergence of disordered local magnetic moments.https://www.mdpi.com/2673-6497/5/4/43polycyclic aromatic hydrocarboncoroneneloop currentphotoinduced dynamics |
| spellingShingle | Jun Ohara Shoji Yamamoto Photoproduction of Loop Currents in Coronene Isomers Without Any Applied Magnetic Field Solids polycyclic aromatic hydrocarbon coronene loop current photoinduced dynamics |
| title | Photoproduction of Loop Currents in Coronene Isomers Without Any Applied Magnetic Field |
| title_full | Photoproduction of Loop Currents in Coronene Isomers Without Any Applied Magnetic Field |
| title_fullStr | Photoproduction of Loop Currents in Coronene Isomers Without Any Applied Magnetic Field |
| title_full_unstemmed | Photoproduction of Loop Currents in Coronene Isomers Without Any Applied Magnetic Field |
| title_short | Photoproduction of Loop Currents in Coronene Isomers Without Any Applied Magnetic Field |
| title_sort | photoproduction of loop currents in coronene isomers without any applied magnetic field |
| topic | polycyclic aromatic hydrocarbon coronene loop current photoinduced dynamics |
| url | https://www.mdpi.com/2673-6497/5/4/43 |
| work_keys_str_mv | AT junohara photoproductionofloopcurrentsincoroneneisomerswithoutanyappliedmagneticfield AT shojiyamamoto photoproductionofloopcurrentsincoroneneisomerswithoutanyappliedmagneticfield |