Quantum spin excitations in a dual-core magnetic molecule

Fuente: arXiv
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Main Authors: Li, Wenbin, Shi, Wenwen, Xiao, Xiaoxiao, Zhu, Haiyan, Cheng, Cai, Wang, Dongfei, Chen, Lan, Haze, Masahiro, Fu, Huixia, Zheng, Xiao, Guo, Yang, Li, Zhendong, Hasegawa, Yukio
Format: Preprint
Published: 2025
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author Li, Wenbin
Shi, Wenwen
Xiao, Xiaoxiao
Zhu, Haiyan
Cheng, Cai
Wang, Dongfei
Chen, Lan
Haze, Masahiro
Fu, Huixia
Zheng, Xiao
Guo, Yang
Li, Zhendong
Hasegawa, Yukio
author_facet Li, Wenbin
Shi, Wenwen
Xiao, Xiaoxiao
Zhu, Haiyan
Cheng, Cai
Wang, Dongfei
Chen, Lan
Haze, Masahiro
Fu, Huixia
Zheng, Xiao
Guo, Yang
Li, Zhendong
Hasegawa, Yukio
contents Magnetic excitations are important quantum phenomena in magnetic systems and have been widely studied in individual magnetic atoms and molecules as well as their assembled structures over the past few decades. Using scanning tunneling microscopy/spectroscopy (STM/S) combined with density functional theory (DFT) and the state-of-the-art ab initio wavefunction calculations, we investigated the properties of a novel dual-core Cr2Br6 molecule, which consists of two Cr ions coupled via superexchange through a single near-90° Cr-Br-Cr scissors bond. Under zero magnetic field, we observed a Fano peak with multi-steps through STS. When an external magnetic field is applied, some steps exhibit additional splitting, while others change little. We find that the Cr2Br6, exhibits a spin-degenerate ground state, and the complex peak splitting arises from the coexistence of vibrational and magnetic excitations in the molecule. Our results reveal rich quantum spin behavior in a well-defined two-core magnetic trihalide complex at the atomic scale, offering not only a minimal model for superexchange-coupled multi-spin quantum excitations but also a possible foundational unit for future molecule-based quantum functionalities.
format Preprint
id arxiv_https___arxiv_org_abs_2505_07204
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Quantum spin excitations in a dual-core magnetic molecule
Li, Wenbin
Shi, Wenwen
Xiao, Xiaoxiao
Zhu, Haiyan
Cheng, Cai
Wang, Dongfei
Chen, Lan
Haze, Masahiro
Fu, Huixia
Zheng, Xiao
Guo, Yang
Li, Zhendong
Hasegawa, Yukio
Materials Science
Atomic and Molecular Clusters
Magnetic excitations are important quantum phenomena in magnetic systems and have been widely studied in individual magnetic atoms and molecules as well as their assembled structures over the past few decades. Using scanning tunneling microscopy/spectroscopy (STM/S) combined with density functional theory (DFT) and the state-of-the-art ab initio wavefunction calculations, we investigated the properties of a novel dual-core Cr2Br6 molecule, which consists of two Cr ions coupled via superexchange through a single near-90° Cr-Br-Cr scissors bond. Under zero magnetic field, we observed a Fano peak with multi-steps through STS. When an external magnetic field is applied, some steps exhibit additional splitting, while others change little. We find that the Cr2Br6, exhibits a spin-degenerate ground state, and the complex peak splitting arises from the coexistence of vibrational and magnetic excitations in the molecule. Our results reveal rich quantum spin behavior in a well-defined two-core magnetic trihalide complex at the atomic scale, offering not only a minimal model for superexchange-coupled multi-spin quantum excitations but also a possible foundational unit for future molecule-based quantum functionalities.
title Quantum spin excitations in a dual-core magnetic molecule
topic Materials Science
Atomic and Molecular Clusters
url https://arxiv.org/abs/2505.07204