Bimetal single-molecule magnets supported on benzene with large magnetic anisotropy and unquenched orbital moment

Single-atom magnets, the ultimate limit of high-density magnetic storage, have attracted widespread attention over recent decades. However, they are far from being applicable as a storage medium because of their low magnetic stability. In this paper, we describe a strategy to induce huge magnetic an...

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Main Authors: Jianpei Xing, Xue Jiang, Peng Wang, Jijun Zhao
Format: Article
Language:English
Published: American Physical Society 2021-07-01
Series:Physical Review Research
Online Access:http://doi.org/10.1103/PhysRevResearch.3.033005
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author Jianpei Xing
Xue Jiang
Peng Wang
Jijun Zhao
author_facet Jianpei Xing
Xue Jiang
Peng Wang
Jijun Zhao
author_sort Jianpei Xing
collection DOAJ
description Single-atom magnets, the ultimate limit of high-density magnetic storage, have attracted widespread attention over recent decades. However, they are far from being applicable as a storage medium because of their low magnetic stability. In this paper, we describe a strategy to induce huge magnetic anisotropy in “bimetal magnets” on a benzene (Bz) substrate based on the electron filling of d orbitals. Our first-principles calculations reveal that OsX-Bz (X=Fe, Ru, and Os) exhibits high structural stability, large unquenched orbital moments (1.55–1.59μ_{B}), and huge perpendicular magnetic anisotropy energy (MAE) above 54.8 meV. The synergistic effect of two transition metal components toward this huge MAE and preserved orbital moment is discussed in depth, which is mainly attributed to the d-d coupling induced energy level rearrangement. Our work may provide insights into the underlying physical mechanism and bimetal molecule magnet design.
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spelling doaj.art-3541731cd5ff4178871e34a52ccd3af32024-04-12T17:11:23ZengAmerican Physical SocietyPhysical Review Research2643-15642021-07-013303300510.1103/PhysRevResearch.3.033005Bimetal single-molecule magnets supported on benzene with large magnetic anisotropy and unquenched orbital momentJianpei XingXue JiangPeng WangJijun ZhaoSingle-atom magnets, the ultimate limit of high-density magnetic storage, have attracted widespread attention over recent decades. However, they are far from being applicable as a storage medium because of their low magnetic stability. In this paper, we describe a strategy to induce huge magnetic anisotropy in “bimetal magnets” on a benzene (Bz) substrate based on the electron filling of d orbitals. Our first-principles calculations reveal that OsX-Bz (X=Fe, Ru, and Os) exhibits high structural stability, large unquenched orbital moments (1.55–1.59μ_{B}), and huge perpendicular magnetic anisotropy energy (MAE) above 54.8 meV. The synergistic effect of two transition metal components toward this huge MAE and preserved orbital moment is discussed in depth, which is mainly attributed to the d-d coupling induced energy level rearrangement. Our work may provide insights into the underlying physical mechanism and bimetal molecule magnet design.http://doi.org/10.1103/PhysRevResearch.3.033005
spellingShingle Jianpei Xing
Xue Jiang
Peng Wang
Jijun Zhao
Bimetal single-molecule magnets supported on benzene with large magnetic anisotropy and unquenched orbital moment
Physical Review Research
title Bimetal single-molecule magnets supported on benzene with large magnetic anisotropy and unquenched orbital moment
title_full Bimetal single-molecule magnets supported on benzene with large magnetic anisotropy and unquenched orbital moment
title_fullStr Bimetal single-molecule magnets supported on benzene with large magnetic anisotropy and unquenched orbital moment
title_full_unstemmed Bimetal single-molecule magnets supported on benzene with large magnetic anisotropy and unquenched orbital moment
title_short Bimetal single-molecule magnets supported on benzene with large magnetic anisotropy and unquenched orbital moment
title_sort bimetal single molecule magnets supported on benzene with large magnetic anisotropy and unquenched orbital moment
url http://doi.org/10.1103/PhysRevResearch.3.033005
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AT pengwang bimetalsinglemoleculemagnetssupportedonbenzenewithlargemagneticanisotropyandunquenchedorbitalmoment
AT jijunzhao bimetalsinglemoleculemagnetssupportedonbenzenewithlargemagneticanisotropyandunquenchedorbitalmoment