Atomic-scale observation of $d$-$π$-$d$ spin coupling in coordination structures

Fuente: arXiv
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Autori principali: Zhang, Xue, Li, Xin, Li, Jie, Pan, Haoyang, Yu, Minghui, Zhang, Yajie, Zhu, Gui-Lin, Xu, Zhen, Shen, Ziyong, Hou, Shimin, Zang, Yaping, Wang, Bingwu, Wu, Kai, Jiang, Shang-Da, Castelli, Ivano E., Peng, Lianmao, Hedegård, Per, Gao, Song, Lü, Jing-Tao, Wang, Yongfeng
Natura: Preprint
Pubblicazione: 2025
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author Zhang, Xue
Li, Xin
Li, Jie
Pan, Haoyang
Yu, Minghui
Zhang, Yajie
Zhu, Gui-Lin
Xu, Zhen
Shen, Ziyong
Hou, Shimin
Zang, Yaping
Wang, Bingwu
Wu, Kai
Jiang, Shang-Da
Castelli, Ivano E.
Peng, Lianmao
Hedegård, Per
Gao, Song
Lü, Jing-Tao
Wang, Yongfeng
author_facet Zhang, Xue
Li, Xin
Li, Jie
Pan, Haoyang
Yu, Minghui
Zhang, Yajie
Zhu, Gui-Lin
Xu, Zhen
Shen, Ziyong
Hou, Shimin
Zang, Yaping
Wang, Bingwu
Wu, Kai
Jiang, Shang-Da
Castelli, Ivano E.
Peng, Lianmao
Hedegård, Per
Gao, Song
Lü, Jing-Tao
Wang, Yongfeng
contents Spin coupling between magnetic metal atoms and organic radicals plays a pivotal role in high-performance magnetic materials. The complex interaction involving multi-spin centers in bulk materials makes it challenging to study spin coupling at the atomic scale. Here, we investigate the $d$-$π$-$d$ spin interaction in well-defined metal-organic coordinated structures composed of two iron (Fe) atoms and four all-trans retinoic acid (ReA) molecules, using low-temperature scanning tunneling microscopy and atomic force microscopy. The ReA molecule is turned into a spin-$1/2$ radical state by dehydrogenation, facilitating strong magnetic coupling with the coordinated Fe atoms. Comprehensive theoretical analysis, based on density functional theory and valence bond theory, further elucidates the intrinsic mechanism of ferrimagnetic spin coupling in the coordination structure. Specifically, simultaneous antiferromagnetic coupling of Fe dimer to ReA radicals parallelizes the dimer spin orientation. This work contributes to the fundamental understanding of spin interaction in metal-organic coordination structures and provides microscopic insights for designing advanced magnetic materials.
format Preprint
id arxiv_https___arxiv_org_abs_2501_01162
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Atomic-scale observation of $d$-$π$-$d$ spin coupling in coordination structures
Zhang, Xue
Li, Xin
Li, Jie
Pan, Haoyang
Yu, Minghui
Zhang, Yajie
Zhu, Gui-Lin
Xu, Zhen
Shen, Ziyong
Hou, Shimin
Zang, Yaping
Wang, Bingwu
Wu, Kai
Jiang, Shang-Da
Castelli, Ivano E.
Peng, Lianmao
Hedegård, Per
Gao, Song
Lü, Jing-Tao
Wang, Yongfeng
Materials Science
Mesoscale and Nanoscale Physics
Spin coupling between magnetic metal atoms and organic radicals plays a pivotal role in high-performance magnetic materials. The complex interaction involving multi-spin centers in bulk materials makes it challenging to study spin coupling at the atomic scale. Here, we investigate the $d$-$π$-$d$ spin interaction in well-defined metal-organic coordinated structures composed of two iron (Fe) atoms and four all-trans retinoic acid (ReA) molecules, using low-temperature scanning tunneling microscopy and atomic force microscopy. The ReA molecule is turned into a spin-$1/2$ radical state by dehydrogenation, facilitating strong magnetic coupling with the coordinated Fe atoms. Comprehensive theoretical analysis, based on density functional theory and valence bond theory, further elucidates the intrinsic mechanism of ferrimagnetic spin coupling in the coordination structure. Specifically, simultaneous antiferromagnetic coupling of Fe dimer to ReA radicals parallelizes the dimer spin orientation. This work contributes to the fundamental understanding of spin interaction in metal-organic coordination structures and provides microscopic insights for designing advanced magnetic materials.
title Atomic-scale observation of $d$-$π$-$d$ spin coupling in coordination structures
topic Materials Science
Mesoscale and Nanoscale Physics
url https://arxiv.org/abs/2501.01162