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  • Open Access

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

Jianpei Xing1, Xue Jiang1,*, Peng Wang2, and Jijun Zhao1

  • 1Key Laboratory of Material Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024, China
  • 2School of Physical Science and Technology, Southwest University, Chongqing 400715, China

  • *Corresponding author: jiangx@dlut.edu.cn
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Phys. Rev. Research 3, 033005 – Published 2 July, 2021

DOI: https://doi.org/10.1103/PhysRevResearch.3.033005

Abstract

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 (1.55–1.59μB), 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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Phys. Rev. Research 3, 033005– Published 2 July, 2021
  • Received 30 October 2020
  • Revised 11 May 2021
  • Accepted 12 May 2021
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Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.

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